USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 720 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 53 ASN : amide:sc= -3.76! X(o=-2.6!,f=-3) USER MOD Set 1.2: A 103 TYR OH : rot 75:sc= 1.2 USER MOD Set 2.1: A 23 MET CE :methyl 166:sc= -0.117 (180deg=-0.537) USER MOD Set 2.2: A 126 THR OG1 : rot -179:sc= 0.00661 USER MOD Single : A 30 SER OG : rot -42:sc= -3.88! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.61 K(o=-1.6,f=-9!) USER MOD Single : A 63 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.68) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -118:sc= 1.12 (180deg=0.256) USER MOD Single : A 76 LYS NZ :NH3+ 149:sc= 1.21 (180deg=0.489) USER MOD Single : A 77 THR OG1 : rot -171:sc= 1.59 USER MOD Single : A 87 LYS NZ :NH3+ 139:sc= 0.00904 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 152:sc= 1.25 (180deg=0.965) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 1.13 (180deg=0.781) USER MOD Single : A 95 MET CE :methyl 139:sc= -1.08 (180deg=-5.7!) USER MOD Single : A 100 MET CE :methyl -148:sc= -2.3! (180deg=-4.86!) USER MOD Single : A 105 ASN : amide:sc= -0.0928 X(o=-0.093,f=-0.077) USER MOD Single : A 106 MET CE :methyl -162:sc= -0.0196 (180deg=-0.313) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 170:sc=-0.00893 (180deg=-0.142) USER MOD Single : A 130 THR OG1 : rot 140:sc= 0.452 USER MOD Single : A 133 LYS NZ :NH3+ -137:sc= 0.954 (180deg=-0.0409) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 10.595 0.783 9.356 1.00 53.34 N ATOM 342 CA MET A 23 9.904 1.340 8.187 1.00 54.25 C ATOM 343 C MET A 23 10.882 2.001 7.199 1.00 52.13 C ATOM 344 O MET A 23 12.034 2.288 7.534 1.00 33.05 O ATOM 345 CB MET A 23 8.845 2.366 8.616 1.00 3.31 C ATOM 346 CG MET A 23 9.397 3.520 9.442 1.00 32.05 C ATOM 347 SD MET A 23 8.224 4.880 9.612 1.00 71.43 S ATOM 348 CE MET A 23 6.730 3.999 10.073 1.00 14.35 C ATOM 0 HA MET A 23 9.419 0.504 7.682 1.00 54.25 H new ATOM 0 HB2 MET A 23 8.363 2.769 7.725 1.00 3.31 H new ATOM 0 HB3 MET A 23 8.074 1.856 9.193 1.00 3.31 H new ATOM 0 HG2 MET A 23 9.669 3.155 10.432 1.00 32.05 H new ATOM 0 HG3 MET A 23 10.311 3.890 8.977 1.00 32.05 H new ATOM 0 HE1 MET A 23 5.992 4.707 10.451 1.00 14.35 H new ATOM 0 HE2 MET A 23 6.326 3.486 9.200 1.00 14.35 H new ATOM 0 HE3 MET A 23 6.963 3.269 10.848 1.00 14.35 H new ATOM 358 N LEU A 24 10.404 2.233 5.981 1.00 53.23 N ATOM 359 CA LEU A 24 11.172 2.939 4.947 1.00 10.35 C ATOM 360 C LEU A 24 10.370 4.103 4.364 1.00 50.34 C ATOM 361 O LEU A 24 9.200 3.948 4.010 1.00 4.30 O ATOM 362 CB LEU A 24 11.579 1.963 3.831 1.00 42.25 C ATOM 363 CG LEU A 24 12.829 1.125 4.134 1.00 54.21 C ATOM 364 CD1 LEU A 24 12.857 -0.141 3.284 1.00 12.42 C ATOM 365 CD2 LEU A 24 14.096 1.951 3.903 1.00 24.03 C ATOM 0 H LEU A 24 9.475 1.940 5.677 1.00 53.23 H new ATOM 0 HA LEU A 24 12.071 3.346 5.410 1.00 10.35 H new ATOM 0 HB2 LEU A 24 10.745 1.289 3.635 1.00 42.25 H new ATOM 0 HB3 LEU A 24 11.752 2.530 2.916 1.00 42.25 H new ATOM 0 HG LEU A 24 12.792 0.829 5.182 1.00 54.21 H new ATOM 0 HD11 LEU A 24 13.753 -0.717 3.518 1.00 12.42 H new ATOM 0 HD12 LEU A 24 11.973 -0.742 3.497 1.00 12.42 H new ATOM 0 HD13 LEU A 24 12.865 0.130 2.228 1.00 12.42 H new ATOM 0 HD21 LEU A 24 14.973 1.342 4.122 1.00 24.03 H new ATOM 0 HD22 LEU A 24 14.133 2.278 2.864 1.00 24.03 H new ATOM 0 HD23 LEU A 24 14.087 2.822 4.558 1.00 24.03 H new ATOM 377 N GLU A 25 10.999 5.270 4.278 1.00 54.35 N ATOM 378 CA GLU A 25 10.365 6.446 3.716 1.00 5.41 C ATOM 379 C GLU A 25 10.246 6.326 2.189 1.00 33.23 C ATOM 380 O GLU A 25 11.247 6.373 1.471 1.00 53.03 O ATOM 381 CB GLU A 25 11.176 7.689 4.079 1.00 42.34 C ATOM 382 CG GLU A 25 10.430 8.972 3.789 1.00 30.02 C ATOM 383 CD GLU A 25 11.293 10.217 3.911 1.00 53.31 C ATOM 384 OE1 GLU A 25 12.050 10.514 2.963 1.00 1.12 O ATOM 385 OE2 GLU A 25 11.210 10.909 4.949 1.00 54.23 O ATOM 0 H GLU A 25 11.956 5.422 4.595 1.00 54.35 H new ATOM 0 HA GLU A 25 9.361 6.532 4.131 1.00 5.41 H new ATOM 0 HB2 GLU A 25 11.434 7.654 5.137 1.00 42.34 H new ATOM 0 HB3 GLU A 25 12.113 7.683 3.522 1.00 42.34 H new ATOM 0 HG2 GLU A 25 10.017 8.923 2.781 1.00 30.02 H new ATOM 0 HG3 GLU A 25 9.587 9.056 4.475 1.00 30.02 H new ATOM 392 N VAL A 26 9.019 6.184 1.703 1.00 65.13 N ATOM 393 CA VAL A 26 8.767 5.944 0.277 1.00 24.02 C ATOM 394 C VAL A 26 7.752 6.937 -0.301 1.00 15.35 C ATOM 395 O VAL A 26 6.978 7.541 0.436 1.00 11.35 O ATOM 396 CB VAL A 26 8.236 4.505 0.043 1.00 44.41 C ATOM 397 CG1 VAL A 26 9.277 3.464 0.456 1.00 31.44 C ATOM 398 CG2 VAL A 26 6.923 4.286 0.797 1.00 50.42 C ATOM 0 H VAL A 26 8.175 6.230 2.274 1.00 65.13 H new ATOM 0 HA VAL A 26 9.722 6.077 -0.232 1.00 24.02 H new ATOM 0 HB VAL A 26 8.044 4.384 -1.023 1.00 44.41 H new ATOM 0 HG11 VAL A 26 8.880 2.464 0.282 1.00 31.44 H new ATOM 0 HG12 VAL A 26 10.184 3.602 -0.133 1.00 31.44 H new ATOM 0 HG13 VAL A 26 9.510 3.583 1.514 1.00 31.44 H new ATOM 0 HG21 VAL A 26 6.567 3.271 0.620 1.00 50.42 H new ATOM 0 HG22 VAL A 26 7.088 4.432 1.865 1.00 50.42 H new ATOM 0 HG23 VAL A 26 6.178 4.999 0.444 1.00 50.42 H new ATOM 408 N GLU A 27 7.748 7.102 -1.623 1.00 33.13 N ATOM 409 CA GLU A 27 6.738 7.941 -2.285 1.00 50.14 C ATOM 410 C GLU A 27 5.609 7.074 -2.862 1.00 61.53 C ATOM 411 O GLU A 27 5.840 6.230 -3.728 1.00 45.33 O ATOM 412 CB GLU A 27 7.370 8.798 -3.392 1.00 11.30 C ATOM 413 CG GLU A 27 6.394 9.792 -4.017 1.00 3.25 C ATOM 414 CD GLU A 27 7.042 10.717 -5.035 1.00 51.22 C ATOM 415 OE1 GLU A 27 7.643 11.738 -4.630 1.00 1.44 O ATOM 416 OE2 GLU A 27 6.942 10.440 -6.246 1.00 33.41 O ATOM 0 H GLU A 27 8.423 6.673 -2.255 1.00 33.13 H new ATOM 0 HA GLU A 27 6.316 8.611 -1.535 1.00 50.14 H new ATOM 0 HB2 GLU A 27 8.219 9.343 -2.980 1.00 11.30 H new ATOM 0 HB3 GLU A 27 7.760 8.143 -4.171 1.00 11.30 H new ATOM 0 HG2 GLU A 27 5.586 9.242 -4.500 1.00 3.25 H new ATOM 0 HG3 GLU A 27 5.943 10.393 -3.227 1.00 3.25 H new ATOM 423 N VAL A 28 4.393 7.294 -2.371 1.00 61.13 N ATOM 424 CA VAL A 28 3.230 6.482 -2.745 1.00 14.44 C ATOM 425 C VAL A 28 2.458 7.101 -3.920 1.00 30.52 C ATOM 426 O VAL A 28 1.784 8.121 -3.767 1.00 54.35 O ATOM 427 CB VAL A 28 2.269 6.322 -1.543 1.00 5.22 C ATOM 428 CG1 VAL A 28 1.117 5.381 -1.883 1.00 14.34 C ATOM 429 CG2 VAL A 28 3.028 5.837 -0.310 1.00 61.13 C ATOM 0 H VAL A 28 4.182 8.037 -1.704 1.00 61.13 H new ATOM 0 HA VAL A 28 3.608 5.506 -3.050 1.00 14.44 H new ATOM 0 HB VAL A 28 1.842 7.299 -1.317 1.00 5.22 H new ATOM 0 HG11 VAL A 28 0.457 5.287 -1.020 1.00 14.34 H new ATOM 0 HG12 VAL A 28 0.556 5.783 -2.727 1.00 14.34 H new ATOM 0 HG13 VAL A 28 1.514 4.400 -2.145 1.00 14.34 H new ATOM 0 HG21 VAL A 28 2.335 5.730 0.525 1.00 61.13 H new ATOM 0 HG22 VAL A 28 3.490 4.873 -0.523 1.00 61.13 H new ATOM 0 HG23 VAL A 28 3.801 6.561 -0.050 1.00 61.13 H new ATOM 439 N ILE A 29 2.554 6.483 -5.090 1.00 13.04 N ATOM 440 CA ILE A 29 1.863 6.987 -6.285 1.00 4.04 C ATOM 441 C ILE A 29 0.540 6.244 -6.517 1.00 62.45 C ATOM 442 O ILE A 29 0.338 5.142 -6.008 1.00 21.24 O ATOM 443 CB ILE A 29 2.739 6.847 -7.556 1.00 52.10 C ATOM 444 CG1 ILE A 29 4.233 6.889 -7.194 1.00 25.42 C ATOM 445 CG2 ILE A 29 2.395 7.959 -8.553 1.00 0.24 C ATOM 446 CD1 ILE A 29 5.153 6.652 -8.372 1.00 72.45 C ATOM 0 H ILE A 29 3.100 5.635 -5.244 1.00 13.04 H new ATOM 0 HA ILE A 29 1.663 8.043 -6.103 1.00 4.04 H new ATOM 0 HB ILE A 29 2.531 5.882 -8.019 1.00 52.10 H new ATOM 0 HG12 ILE A 29 4.464 7.859 -6.754 1.00 25.42 H new ATOM 0 HG13 ILE A 29 4.434 6.137 -6.431 1.00 25.42 H new ATOM 0 HG21 ILE A 29 3.015 7.854 -9.443 1.00 0.24 H new ATOM 0 HG22 ILE A 29 1.344 7.885 -8.832 1.00 0.24 H new ATOM 0 HG23 ILE A 29 2.581 8.930 -8.094 1.00 0.24 H new ATOM 0 HD11 ILE A 29 6.190 6.697 -8.039 1.00 72.45 H new ATOM 0 HD12 ILE A 29 4.951 5.670 -8.799 1.00 72.45 H new ATOM 0 HD13 ILE A 29 4.982 7.419 -9.128 1.00 72.45 H new ATOM 458 N SER A 30 -0.356 6.845 -7.298 1.00 33.44 N ATOM 459 CA SER A 30 -1.648 6.217 -7.620 1.00 10.40 C ATOM 460 C SER A 30 -2.004 6.369 -9.100 1.00 4.52 C ATOM 461 O SER A 30 -2.471 7.420 -9.536 1.00 41.01 O ATOM 462 CB SER A 30 -2.766 6.794 -6.746 1.00 23.31 C ATOM 463 OG SER A 30 -2.568 6.454 -5.383 1.00 73.01 O ATOM 0 H SER A 30 -0.217 7.763 -7.721 1.00 33.44 H new ATOM 0 HA SER A 30 -1.548 5.152 -7.410 1.00 10.40 H new ATOM 0 HB2 SER A 30 -2.795 7.878 -6.854 1.00 23.31 H new ATOM 0 HB3 SER A 30 -3.730 6.414 -7.084 1.00 23.31 H new ATOM 0 HG SER A 30 -2.281 5.519 -5.317 1.00 73.01 H new ATOM 469 N GLY A 31 -1.775 5.307 -9.869 1.00 25.25 N ATOM 470 CA GLY A 31 -2.112 5.319 -11.288 1.00 51.03 C ATOM 471 C GLY A 31 -3.600 5.104 -11.533 1.00 1.33 C ATOM 472 O GLY A 31 -4.138 4.044 -11.208 1.00 12.44 O ATOM 0 H GLY A 31 -1.362 4.436 -9.537 1.00 25.25 H new ATOM 0 HA2 GLY A 31 -1.809 6.272 -11.723 1.00 51.03 H new ATOM 0 HA3 GLY A 31 -1.546 4.541 -11.800 1.00 51.03 H new ATOM 711 N GLU A 47 -12.302 -9.072 -9.378 1.00 72.31 N ATOM 712 CA GLU A 47 -11.321 -8.264 -10.106 1.00 34.24 C ATOM 713 C GLU A 47 -10.939 -6.995 -9.318 1.00 24.02 C ATOM 714 O GLU A 47 -9.768 -6.625 -9.248 1.00 52.43 O ATOM 715 CB GLU A 47 -11.906 -7.897 -11.476 1.00 54.21 C ATOM 716 CG GLU A 47 -10.940 -7.188 -12.419 1.00 53.32 C ATOM 717 CD GLU A 47 -11.517 -7.046 -13.818 1.00 13.32 C ATOM 718 OE1 GLU A 47 -11.425 -8.015 -14.603 1.00 42.02 O ATOM 719 OE2 GLU A 47 -12.092 -5.982 -14.131 1.00 13.02 O ATOM 0 HA GLU A 47 -10.408 -8.844 -10.237 1.00 34.24 H new ATOM 0 HB2 GLU A 47 -12.260 -8.808 -11.959 1.00 54.21 H new ATOM 0 HB3 GLU A 47 -12.776 -7.259 -11.324 1.00 54.21 H new ATOM 0 HG2 GLU A 47 -10.703 -6.201 -12.022 1.00 53.32 H new ATOM 0 HG3 GLU A 47 -10.004 -7.745 -12.467 1.00 53.32 H new ATOM 726 N TYR A 48 -11.935 -6.358 -8.696 1.00 20.41 N ATOM 727 CA TYR A 48 -11.709 -5.155 -7.879 1.00 53.24 C ATOM 728 C TYR A 48 -10.750 -5.464 -6.712 1.00 44.24 C ATOM 729 O TYR A 48 -9.900 -4.648 -6.344 1.00 50.23 O ATOM 730 CB TYR A 48 -13.058 -4.638 -7.327 1.00 34.01 C ATOM 731 CG TYR A 48 -13.077 -3.157 -6.969 1.00 24.25 C ATOM 732 CD1 TYR A 48 -12.317 -2.650 -5.917 1.00 42.00 C ATOM 733 CD2 TYR A 48 -13.853 -2.262 -7.699 1.00 41.44 C ATOM 734 CE1 TYR A 48 -12.332 -1.301 -5.612 1.00 23.24 C ATOM 735 CE2 TYR A 48 -13.875 -0.914 -7.395 1.00 0.30 C ATOM 736 CZ TYR A 48 -13.108 -0.439 -6.354 1.00 70.25 C ATOM 737 OH TYR A 48 -13.119 0.904 -6.057 1.00 60.22 O ATOM 0 H TYR A 48 -12.910 -6.654 -8.741 1.00 20.41 H new ATOM 0 HA TYR A 48 -11.256 -4.388 -8.506 1.00 53.24 H new ATOM 0 HB2 TYR A 48 -13.834 -4.828 -8.068 1.00 34.01 H new ATOM 0 HB3 TYR A 48 -13.316 -5.215 -6.439 1.00 34.01 H new ATOM 0 HD1 TYR A 48 -11.707 -3.321 -5.331 1.00 42.00 H new ATOM 0 HD2 TYR A 48 -14.451 -2.628 -8.520 1.00 41.44 H new ATOM 0 HE1 TYR A 48 -11.736 -0.925 -4.794 1.00 23.24 H new ATOM 0 HE2 TYR A 48 -14.490 -0.237 -7.970 1.00 0.30 H new ATOM 0 HH TYR A 48 -13.717 1.371 -6.677 1.00 60.22 H new ATOM 747 N PHE A 49 -10.886 -6.668 -6.159 1.00 55.20 N ATOM 748 CA PHE A 49 -10.100 -7.101 -4.995 1.00 54.44 C ATOM 749 C PHE A 49 -8.688 -7.585 -5.396 1.00 52.52 C ATOM 750 O PHE A 49 -7.844 -7.857 -4.541 1.00 42.25 O ATOM 751 CB PHE A 49 -10.864 -8.213 -4.258 1.00 11.52 C ATOM 752 CG PHE A 49 -10.281 -8.591 -2.918 1.00 32.44 C ATOM 753 CD1 PHE A 49 -10.451 -7.764 -1.816 1.00 14.55 C ATOM 754 CD2 PHE A 49 -9.575 -9.776 -2.755 1.00 24.43 C ATOM 755 CE1 PHE A 49 -9.927 -8.108 -0.583 1.00 21.12 C ATOM 756 CE2 PHE A 49 -9.047 -10.124 -1.525 1.00 44.52 C ATOM 757 CZ PHE A 49 -9.223 -9.289 -0.437 1.00 11.54 C ATOM 0 H PHE A 49 -11.541 -7.372 -6.500 1.00 55.20 H new ATOM 0 HA PHE A 49 -9.964 -6.245 -4.335 1.00 54.44 H new ATOM 0 HB2 PHE A 49 -11.896 -7.893 -4.114 1.00 11.52 H new ATOM 0 HB3 PHE A 49 -10.891 -9.100 -4.892 1.00 11.52 H new ATOM 0 HD1 PHE A 49 -11.000 -6.840 -1.923 1.00 14.55 H new ATOM 0 HD2 PHE A 49 -9.437 -10.434 -3.600 1.00 24.43 H new ATOM 0 HE1 PHE A 49 -10.068 -7.454 0.265 1.00 21.12 H new ATOM 0 HE2 PHE A 49 -8.498 -11.047 -1.414 1.00 44.52 H new ATOM 0 HZ PHE A 49 -8.812 -9.559 0.524 1.00 11.54 H new ATOM 767 N ASN A 50 -8.431 -7.696 -6.699 1.00 54.44 N ATOM 768 CA ASN A 50 -7.098 -8.088 -7.195 1.00 21.14 C ATOM 769 C ASN A 50 -6.465 -6.988 -8.062 1.00 3.12 C ATOM 770 O ASN A 50 -5.364 -7.155 -8.588 1.00 13.21 O ATOM 771 CB ASN A 50 -7.197 -9.398 -7.990 1.00 63.13 C ATOM 772 CG ASN A 50 -7.587 -10.572 -7.112 1.00 22.43 C ATOM 773 OD1 ASN A 50 -6.738 -11.284 -6.582 1.00 21.23 O ATOM 774 ND2 ASN A 50 -8.874 -10.778 -6.944 1.00 33.24 N ATOM 0 H ASN A 50 -9.119 -7.523 -7.432 1.00 54.44 H new ATOM 0 HA ASN A 50 -6.452 -8.237 -6.329 1.00 21.14 H new ATOM 0 HB2 ASN A 50 -7.931 -9.283 -8.787 1.00 63.13 H new ATOM 0 HB3 ASN A 50 -6.239 -9.605 -8.467 1.00 63.13 H new ATOM 0 HD21 ASN A 50 -9.195 -11.549 -6.358 1.00 33.24 H new ATOM 0 HD22 ASN A 50 -9.552 -10.167 -7.399 1.00 33.24 H new ATOM 781 N ALA A 51 -7.161 -5.860 -8.201 1.00 40.31 N ATOM 782 CA ALA A 51 -6.680 -4.743 -9.027 1.00 73.35 C ATOM 783 C ALA A 51 -5.950 -3.671 -8.196 1.00 71.13 C ATOM 784 O ALA A 51 -4.793 -3.351 -8.456 1.00 33.53 O ATOM 785 CB ALA A 51 -7.849 -4.119 -9.789 1.00 4.15 C ATOM 0 H ALA A 51 -8.062 -5.691 -7.753 1.00 40.31 H new ATOM 0 HA ALA A 51 -5.955 -5.147 -9.734 1.00 73.35 H new ATOM 0 HB1 ALA A 51 -7.486 -3.292 -10.399 1.00 4.15 H new ATOM 0 HB2 ALA A 51 -8.307 -4.871 -10.432 1.00 4.15 H new ATOM 0 HB3 ALA A 51 -8.589 -3.749 -9.080 1.00 4.15 H new ATOM 791 N VAL A 52 -6.634 -3.122 -7.192 1.00 71.03 N ATOM 792 CA VAL A 52 -6.107 -1.986 -6.412 1.00 21.15 C ATOM 793 C VAL A 52 -5.687 -2.384 -4.982 1.00 72.21 C ATOM 794 O VAL A 52 -5.570 -1.531 -4.106 1.00 4.01 O ATOM 795 CB VAL A 52 -7.168 -0.855 -6.320 1.00 54.14 C ATOM 796 CG1 VAL A 52 -7.520 -0.321 -7.709 1.00 12.01 C ATOM 797 CG2 VAL A 52 -8.427 -1.346 -5.595 1.00 73.52 C ATOM 0 H VAL A 52 -7.556 -3.441 -6.894 1.00 71.03 H new ATOM 0 HA VAL A 52 -5.219 -1.639 -6.941 1.00 21.15 H new ATOM 0 HB VAL A 52 -6.737 -0.038 -5.741 1.00 54.14 H new ATOM 0 HG11 VAL A 52 -8.265 0.470 -7.617 1.00 12.01 H new ATOM 0 HG12 VAL A 52 -6.623 0.078 -8.183 1.00 12.01 H new ATOM 0 HG13 VAL A 52 -7.923 -1.130 -8.318 1.00 12.01 H new ATOM 0 HG21 VAL A 52 -9.156 -0.537 -5.543 1.00 73.52 H new ATOM 0 HG22 VAL A 52 -8.856 -2.186 -6.140 1.00 73.52 H new ATOM 0 HG23 VAL A 52 -8.165 -1.664 -4.586 1.00 73.52 H new ATOM 807 N ASN A 53 -5.440 -3.673 -4.750 1.00 63.03 N ATOM 808 CA ASN A 53 -5.196 -4.173 -3.386 1.00 50.24 C ATOM 809 C ASN A 53 -3.707 -4.464 -3.118 1.00 43.22 C ATOM 810 O ASN A 53 -3.371 -5.167 -2.165 1.00 65.42 O ATOM 811 CB ASN A 53 -6.019 -5.446 -3.133 1.00 61.02 C ATOM 812 CG ASN A 53 -7.525 -5.222 -3.209 1.00 42.31 C ATOM 813 OD1 ASN A 53 -8.285 -5.825 -2.468 1.00 34.23 O ATOM 814 ND2 ASN A 53 -7.978 -4.384 -4.118 1.00 72.14 N ATOM 0 H ASN A 53 -5.402 -4.388 -5.477 1.00 63.03 H new ATOM 0 HA ASN A 53 -5.505 -3.383 -2.701 1.00 50.24 H new ATOM 0 HB2 ASN A 53 -5.735 -6.204 -3.863 1.00 61.02 H new ATOM 0 HB3 ASN A 53 -5.768 -5.842 -2.149 1.00 61.02 H new ATOM 0 HD21 ASN A 53 -8.982 -4.228 -4.213 1.00 72.14 H new ATOM 0 HD22 ASN A 53 -7.325 -3.890 -4.727 1.00 72.14 H new ATOM 821 N TYR A 54 -2.811 -3.907 -3.931 1.00 13.30 N ATOM 822 CA TYR A 54 -1.374 -4.181 -3.780 1.00 34.52 C ATOM 823 C TYR A 54 -0.510 -2.935 -4.031 1.00 63.11 C ATOM 824 O TYR A 54 -0.973 -1.939 -4.585 1.00 63.44 O ATOM 825 CB TYR A 54 -0.942 -5.319 -4.725 1.00 53.04 C ATOM 826 CG TYR A 54 -1.198 -5.034 -6.198 1.00 55.54 C ATOM 827 CD1 TYR A 54 -0.299 -4.285 -6.954 1.00 72.20 C ATOM 828 CD2 TYR A 54 -2.342 -5.511 -6.830 1.00 71.12 C ATOM 829 CE1 TYR A 54 -0.536 -4.019 -8.289 1.00 62.45 C ATOM 830 CE2 TYR A 54 -2.581 -5.249 -8.166 1.00 34.45 C ATOM 831 CZ TYR A 54 -1.677 -4.502 -8.890 1.00 74.51 C ATOM 832 OH TYR A 54 -1.915 -4.237 -10.219 1.00 54.41 O ATOM 0 H TYR A 54 -3.045 -3.271 -4.693 1.00 13.30 H new ATOM 0 HA TYR A 54 -1.216 -4.485 -2.745 1.00 34.52 H new ATOM 0 HB2 TYR A 54 0.121 -5.511 -4.583 1.00 53.04 H new ATOM 0 HB3 TYR A 54 -1.471 -6.230 -4.445 1.00 53.04 H new ATOM 0 HD1 TYR A 54 0.599 -3.906 -6.489 1.00 72.20 H new ATOM 0 HD2 TYR A 54 -3.055 -6.096 -6.268 1.00 71.12 H new ATOM 0 HE1 TYR A 54 0.171 -3.434 -8.859 1.00 62.45 H new ATOM 0 HE2 TYR A 54 -3.474 -5.629 -8.641 1.00 34.45 H new ATOM 0 HH TYR A 54 -2.762 -4.650 -10.488 1.00 54.41 H new ATOM 842 N ALA A 55 0.753 -3.016 -3.620 1.00 34.04 N ATOM 843 CA ALA A 55 1.727 -1.947 -3.858 1.00 11.23 C ATOM 844 C ALA A 55 3.020 -2.510 -4.470 1.00 45.24 C ATOM 845 O ALA A 55 3.570 -3.495 -3.973 1.00 63.43 O ATOM 846 CB ALA A 55 2.032 -1.212 -2.556 1.00 22.54 C ATOM 0 H ALA A 55 1.131 -3.818 -3.116 1.00 34.04 H new ATOM 0 HA ALA A 55 1.295 -1.242 -4.568 1.00 11.23 H new ATOM 0 HB1 ALA A 55 2.757 -0.420 -2.746 1.00 22.54 H new ATOM 0 HB2 ALA A 55 1.114 -0.776 -2.160 1.00 22.54 H new ATOM 0 HB3 ALA A 55 2.443 -1.913 -1.830 1.00 22.54 H new ATOM 852 N GLU A 56 3.499 -1.894 -5.551 1.00 31.55 N ATOM 853 CA GLU A 56 4.726 -2.348 -6.213 1.00 15.54 C ATOM 854 C GLU A 56 5.975 -1.682 -5.611 1.00 54.03 C ATOM 855 O GLU A 56 6.124 -0.459 -5.635 1.00 74.51 O ATOM 856 CB GLU A 56 4.644 -2.101 -7.726 1.00 34.34 C ATOM 857 CG GLU A 56 3.474 -2.826 -8.387 1.00 12.22 C ATOM 858 CD GLU A 56 3.586 -2.887 -9.901 1.00 45.24 C ATOM 859 OE1 GLU A 56 3.136 -1.945 -10.582 1.00 71.02 O ATOM 860 OE2 GLU A 56 4.110 -3.898 -10.419 1.00 0.42 O ATOM 0 H GLU A 56 3.060 -1.083 -5.987 1.00 31.55 H new ATOM 0 HA GLU A 56 4.819 -3.421 -6.044 1.00 15.54 H new ATOM 0 HB2 GLU A 56 4.551 -1.031 -7.909 1.00 34.34 H new ATOM 0 HB3 GLU A 56 5.575 -2.424 -8.192 1.00 34.34 H new ATOM 0 HG2 GLU A 56 3.414 -3.840 -7.992 1.00 12.22 H new ATOM 0 HG3 GLU A 56 2.545 -2.324 -8.118 1.00 12.22 H new ATOM 867 N ILE A 57 6.871 -2.518 -5.090 1.00 11.41 N ATOM 868 CA ILE A 57 8.029 -2.075 -4.298 1.00 11.43 C ATOM 869 C ILE A 57 9.359 -2.478 -4.963 1.00 25.11 C ATOM 870 O ILE A 57 9.438 -3.513 -5.627 1.00 72.34 O ATOM 871 CB ILE A 57 7.966 -2.721 -2.890 1.00 44.54 C ATOM 872 CG1 ILE A 57 6.564 -2.536 -2.286 1.00 10.35 C ATOM 873 CG2 ILE A 57 9.031 -2.129 -1.964 1.00 65.21 C ATOM 874 CD1 ILE A 57 6.267 -3.478 -1.143 1.00 14.52 C ATOM 0 H ILE A 57 6.818 -3.530 -5.203 1.00 11.41 H new ATOM 0 HA ILE A 57 7.990 -0.988 -4.229 1.00 11.43 H new ATOM 0 HB ILE A 57 8.168 -3.787 -2.994 1.00 44.54 H new ATOM 0 HG12 ILE A 57 6.462 -1.509 -1.935 1.00 10.35 H new ATOM 0 HG13 ILE A 57 5.819 -2.681 -3.068 1.00 10.35 H new ATOM 0 HG21 ILE A 57 8.963 -2.601 -0.984 1.00 65.21 H new ATOM 0 HG22 ILE A 57 10.020 -2.308 -2.386 1.00 65.21 H new ATOM 0 HG23 ILE A 57 8.869 -1.056 -1.862 1.00 65.21 H new ATOM 0 HD11 ILE A 57 5.261 -3.289 -0.768 1.00 14.52 H new ATOM 0 HD12 ILE A 57 6.336 -4.508 -1.493 1.00 14.52 H new ATOM 0 HD13 ILE A 57 6.989 -3.318 -0.342 1.00 14.52 H new ATOM 886 N ASN A 58 10.400 -1.667 -4.782 1.00 12.21 N ATOM 887 CA ASN A 58 11.735 -2.011 -5.290 1.00 42.11 C ATOM 888 C ASN A 58 12.383 -3.091 -4.406 1.00 33.11 C ATOM 889 O ASN A 58 12.229 -3.081 -3.184 1.00 10.15 O ATOM 890 CB ASN A 58 12.617 -0.755 -5.363 1.00 3.10 C ATOM 891 CG ASN A 58 13.953 -0.998 -6.057 1.00 61.02 C ATOM 892 OD1 ASN A 58 14.587 -2.038 -5.897 1.00 72.24 O ATOM 893 ND2 ASN A 58 14.370 -0.054 -6.872 1.00 34.51 N ATOM 0 H ASN A 58 10.350 -0.774 -4.292 1.00 12.21 H new ATOM 0 HA ASN A 58 11.635 -2.415 -6.298 1.00 42.11 H new ATOM 0 HB2 ASN A 58 12.077 0.030 -5.893 1.00 3.10 H new ATOM 0 HB3 ASN A 58 12.801 -0.389 -4.353 1.00 3.10 H new ATOM 0 HD21 ASN A 58 15.240 -0.175 -7.390 1.00 34.51 H new ATOM 0 HD22 ASN A 58 13.823 0.800 -6.986 1.00 34.51 H new ATOM 900 N GLU A 59 13.114 -4.011 -5.037 1.00 70.31 N ATOM 901 CA GLU A 59 13.692 -5.167 -4.337 1.00 14.03 C ATOM 902 C GLU A 59 14.581 -4.753 -3.153 1.00 33.21 C ATOM 903 O GLU A 59 14.593 -5.418 -2.117 1.00 63.23 O ATOM 904 CB GLU A 59 14.489 -6.044 -5.313 1.00 3.51 C ATOM 905 CG GLU A 59 15.069 -7.295 -4.659 1.00 71.24 C ATOM 906 CD GLU A 59 15.532 -8.338 -5.665 1.00 34.30 C ATOM 907 OE1 GLU A 59 14.674 -9.076 -6.195 1.00 13.52 O ATOM 908 OE2 GLU A 59 16.749 -8.427 -5.923 1.00 32.41 O ATOM 0 H GLU A 59 13.322 -3.981 -6.035 1.00 70.31 H new ATOM 0 HA GLU A 59 12.858 -5.741 -3.932 1.00 14.03 H new ATOM 0 HB2 GLU A 59 13.841 -6.340 -6.138 1.00 3.51 H new ATOM 0 HB3 GLU A 59 15.301 -5.456 -5.741 1.00 3.51 H new ATOM 0 HG2 GLU A 59 15.911 -7.010 -4.028 1.00 71.24 H new ATOM 0 HG3 GLU A 59 14.317 -7.738 -4.006 1.00 71.24 H new ATOM 915 N GLU A 60 15.318 -3.660 -3.307 1.00 63.52 N ATOM 916 CA GLU A 60 16.153 -3.134 -2.218 1.00 20.43 C ATOM 917 C GLU A 60 15.337 -2.892 -0.934 1.00 33.01 C ATOM 918 O GLU A 60 15.711 -3.357 0.145 1.00 31.21 O ATOM 919 CB GLU A 60 16.845 -1.839 -2.652 1.00 42.00 C ATOM 920 CG GLU A 60 17.904 -2.038 -3.732 1.00 1.12 C ATOM 921 CD GLU A 60 19.029 -2.970 -3.292 1.00 4.13 C ATOM 922 OE1 GLU A 60 19.590 -2.762 -2.193 1.00 44.03 O ATOM 923 OE2 GLU A 60 19.365 -3.906 -4.047 1.00 34.21 O ATOM 0 H GLU A 60 15.359 -3.117 -4.170 1.00 63.52 H new ATOM 0 HA GLU A 60 16.908 -3.888 -1.995 1.00 20.43 H new ATOM 0 HB2 GLU A 60 16.092 -1.141 -3.019 1.00 42.00 H new ATOM 0 HB3 GLU A 60 17.310 -1.377 -1.781 1.00 42.00 H new ATOM 0 HG2 GLU A 60 17.432 -2.443 -4.627 1.00 1.12 H new ATOM 0 HG3 GLU A 60 18.325 -1.070 -4.004 1.00 1.12 H new ATOM 930 N ASP A 61 14.226 -2.164 -1.060 1.00 75.43 N ATOM 931 CA ASP A 61 13.334 -1.906 0.077 1.00 35.33 C ATOM 932 C ASP A 61 12.607 -3.196 0.498 1.00 74.55 C ATOM 933 O ASP A 61 12.387 -3.450 1.684 1.00 53.23 O ATOM 934 CB ASP A 61 12.314 -0.821 -0.294 1.00 53.41 C ATOM 935 CG ASP A 61 12.979 0.419 -0.863 1.00 45.21 C ATOM 936 OD1 ASP A 61 13.542 1.218 -0.083 1.00 35.35 O ATOM 937 OD2 ASP A 61 12.963 0.589 -2.100 1.00 42.31 O ATOM 0 H ASP A 61 13.921 -1.742 -1.937 1.00 75.43 H new ATOM 0 HA ASP A 61 13.934 -1.559 0.918 1.00 35.33 H new ATOM 0 HB2 ASP A 61 11.610 -1.221 -1.023 1.00 53.41 H new ATOM 0 HB3 ASP A 61 11.737 -0.549 0.590 1.00 53.41 H new ATOM 942 N TRP A 62 12.254 -4.006 -0.499 1.00 33.52 N ATOM 943 CA TRP A 62 11.612 -5.310 -0.290 1.00 62.12 C ATOM 944 C TRP A 62 12.421 -6.195 0.683 1.00 20.23 C ATOM 945 O TRP A 62 11.886 -6.718 1.664 1.00 53.25 O ATOM 946 CB TRP A 62 11.465 -6.002 -1.657 1.00 14.23 C ATOM 947 CG TRP A 62 10.888 -7.387 -1.608 1.00 33.41 C ATOM 948 CD1 TRP A 62 11.557 -8.547 -1.343 1.00 44.14 C ATOM 949 CD2 TRP A 62 9.529 -7.757 -1.858 1.00 45.54 C ATOM 950 NE1 TRP A 62 10.696 -9.610 -1.401 1.00 73.24 N ATOM 951 CE2 TRP A 62 9.447 -9.153 -1.718 1.00 0.30 C ATOM 952 CE3 TRP A 62 8.377 -7.043 -2.183 1.00 54.23 C ATOM 953 CZ2 TRP A 62 8.256 -9.849 -1.887 1.00 23.55 C ATOM 954 CZ3 TRP A 62 7.194 -7.734 -2.351 1.00 54.54 C ATOM 955 CH2 TRP A 62 7.141 -9.126 -2.206 1.00 1.10 C ATOM 0 H TRP A 62 12.405 -3.778 -1.482 1.00 33.52 H new ATOM 0 HA TRP A 62 10.632 -5.158 0.163 1.00 62.12 H new ATOM 0 HB2 TRP A 62 10.833 -5.384 -2.294 1.00 14.23 H new ATOM 0 HB3 TRP A 62 12.446 -6.050 -2.131 1.00 14.23 H new ATOM 0 HD1 TRP A 62 12.611 -8.616 -1.120 1.00 44.14 H new ATOM 0 HE1 TRP A 62 10.946 -10.585 -1.235 1.00 73.24 H new ATOM 0 HE3 TRP A 62 8.409 -5.970 -2.301 1.00 54.23 H new ATOM 0 HZ2 TRP A 62 8.213 -10.922 -1.771 1.00 23.55 H new ATOM 0 HZ3 TRP A 62 6.293 -7.192 -2.599 1.00 54.54 H new ATOM 0 HH2 TRP A 62 6.201 -9.638 -2.349 1.00 1.10 H new ATOM 966 N ASN A 63 13.715 -6.352 0.397 1.00 70.31 N ATOM 967 CA ASN A 63 14.608 -7.152 1.246 1.00 51.01 C ATOM 968 C ASN A 63 14.780 -6.513 2.633 1.00 33.13 C ATOM 969 O ASN A 63 14.819 -7.210 3.651 1.00 23.21 O ATOM 970 CB ASN A 63 15.976 -7.319 0.569 1.00 54.31 C ATOM 971 CG ASN A 63 15.896 -8.080 -0.743 1.00 60.54 C ATOM 972 OD1 ASN A 63 15.041 -8.942 -0.928 1.00 41.54 O ATOM 973 ND2 ASN A 63 16.784 -7.773 -1.669 1.00 33.25 N ATOM 0 H ASN A 63 14.171 -5.937 -0.416 1.00 70.31 H new ATOM 0 HA ASN A 63 14.153 -8.133 1.380 1.00 51.01 H new ATOM 0 HB2 ASN A 63 16.408 -6.335 0.387 1.00 54.31 H new ATOM 0 HB3 ASN A 63 16.650 -7.843 1.247 1.00 54.31 H new ATOM 0 HD21 ASN A 63 16.772 -8.256 -2.567 1.00 33.25 H new ATOM 0 HD22 ASN A 63 17.483 -7.052 -1.487 1.00 33.25 H new ATOM 980 N ALA A 64 14.869 -5.183 2.667 1.00 0.45 N ATOM 981 CA ALA A 64 14.997 -4.443 3.929 1.00 35.20 C ATOM 982 C ALA A 64 13.816 -4.725 4.871 1.00 73.13 C ATOM 983 O ALA A 64 13.994 -4.934 6.071 1.00 25.41 O ATOM 984 CB ALA A 64 15.099 -2.948 3.652 1.00 23.43 C ATOM 0 H ALA A 64 14.855 -4.593 1.835 1.00 0.45 H new ATOM 0 HA ALA A 64 15.907 -4.782 4.423 1.00 35.20 H new ATOM 0 HB1 ALA A 64 15.194 -2.409 4.595 1.00 23.43 H new ATOM 0 HB2 ALA A 64 15.974 -2.752 3.032 1.00 23.43 H new ATOM 0 HB3 ALA A 64 14.203 -2.613 3.131 1.00 23.43 H new ATOM 990 N LEU A 65 12.608 -4.736 4.312 1.00 55.24 N ATOM 991 CA LEU A 65 11.391 -5.012 5.086 1.00 44.52 C ATOM 992 C LEU A 65 11.188 -6.521 5.326 1.00 50.14 C ATOM 993 O LEU A 65 10.230 -6.927 5.986 1.00 34.44 O ATOM 994 CB LEU A 65 10.172 -4.429 4.357 1.00 73.54 C ATOM 995 CG LEU A 65 10.204 -2.907 4.135 1.00 53.13 C ATOM 996 CD1 LEU A 65 9.019 -2.452 3.288 1.00 42.32 C ATOM 997 CD2 LEU A 65 10.229 -2.164 5.470 1.00 10.52 C ATOM 0 H LEU A 65 12.441 -4.557 3.322 1.00 55.24 H new ATOM 0 HA LEU A 65 11.503 -4.538 6.061 1.00 44.52 H new ATOM 0 HB2 LEU A 65 10.081 -4.919 3.388 1.00 73.54 H new ATOM 0 HB3 LEU A 65 9.276 -4.678 4.926 1.00 73.54 H new ATOM 0 HG LEU A 65 11.119 -2.667 3.593 1.00 53.13 H new ATOM 0 HD11 LEU A 65 9.066 -1.372 3.147 1.00 42.32 H new ATOM 0 HD12 LEU A 65 9.054 -2.947 2.318 1.00 42.32 H new ATOM 0 HD13 LEU A 65 8.089 -2.711 3.794 1.00 42.32 H new ATOM 0 HD21 LEU A 65 10.251 -1.090 5.288 1.00 10.52 H new ATOM 0 HD22 LEU A 65 9.337 -2.416 6.044 1.00 10.52 H new ATOM 0 HD23 LEU A 65 11.116 -2.455 6.032 1.00 10.52 H new ATOM 1009 N GLY A 66 12.092 -7.344 4.784 1.00 35.13 N ATOM 1010 CA GLY A 66 11.989 -8.796 4.934 1.00 11.41 C ATOM 1011 C GLY A 66 10.696 -9.365 4.356 1.00 4.11 C ATOM 1012 O GLY A 66 10.035 -10.203 4.978 1.00 21.00 O ATOM 0 H GLY A 66 12.897 -7.031 4.242 1.00 35.13 H new ATOM 0 HA2 GLY A 66 12.839 -9.268 4.441 1.00 11.41 H new ATOM 0 HA3 GLY A 66 12.051 -9.052 5.992 1.00 11.41 H new ATOM 1016 N LEU A 67 10.340 -8.910 3.160 1.00 0.03 N ATOM 1017 CA LEU A 67 9.078 -9.292 2.520 1.00 44.42 C ATOM 1018 C LEU A 67 9.186 -10.591 1.705 1.00 64.12 C ATOM 1019 O LEU A 67 10.196 -10.864 1.057 1.00 3.10 O ATOM 1020 CB LEU A 67 8.604 -8.151 1.611 1.00 31.41 C ATOM 1021 CG LEU A 67 8.120 -6.889 2.341 1.00 74.54 C ATOM 1022 CD1 LEU A 67 8.013 -5.711 1.378 1.00 52.33 C ATOM 1023 CD2 LEU A 67 6.777 -7.148 3.013 1.00 60.21 C ATOM 0 H LEU A 67 10.910 -8.270 2.607 1.00 0.03 H new ATOM 0 HA LEU A 67 8.356 -9.477 3.316 1.00 44.42 H new ATOM 0 HB2 LEU A 67 9.422 -7.875 0.946 1.00 31.41 H new ATOM 0 HB3 LEU A 67 7.793 -8.521 0.983 1.00 31.41 H new ATOM 0 HG LEU A 67 8.853 -6.637 3.107 1.00 74.54 H new ATOM 0 HD11 LEU A 67 7.668 -4.829 1.918 1.00 52.33 H new ATOM 0 HD12 LEU A 67 8.991 -5.509 0.940 1.00 52.33 H new ATOM 0 HD13 LEU A 67 7.303 -5.952 0.586 1.00 52.33 H new ATOM 0 HD21 LEU A 67 6.447 -6.245 3.526 1.00 60.21 H new ATOM 0 HD22 LEU A 67 6.041 -7.427 2.259 1.00 60.21 H new ATOM 0 HD23 LEU A 67 6.882 -7.958 3.735 1.00 60.21 H new ATOM 1035 N GLN A 68 8.129 -11.390 1.753 1.00 12.13 N ATOM 1036 CA GLN A 68 7.985 -12.558 0.883 1.00 4.01 C ATOM 1037 C GLN A 68 6.792 -12.337 -0.053 1.00 33.43 C ATOM 1038 O GLN A 68 5.848 -11.629 0.300 1.00 3.53 O ATOM 1039 CB GLN A 68 7.783 -13.829 1.722 1.00 51.35 C ATOM 1040 CG GLN A 68 7.730 -15.121 0.908 1.00 3.00 C ATOM 1041 CD GLN A 68 7.566 -16.357 1.779 1.00 65.34 C ATOM 1042 OE1 GLN A 68 6.455 -16.795 2.059 1.00 42.20 O ATOM 1043 NE2 GLN A 68 8.671 -16.918 2.231 1.00 53.42 N ATOM 0 H GLN A 68 7.347 -11.251 2.393 1.00 12.13 H new ATOM 0 HA GLN A 68 8.891 -12.686 0.291 1.00 4.01 H new ATOM 0 HB2 GLN A 68 8.594 -13.904 2.447 1.00 51.35 H new ATOM 0 HB3 GLN A 68 6.857 -13.732 2.288 1.00 51.35 H new ATOM 0 HG2 GLN A 68 6.902 -15.067 0.202 1.00 3.00 H new ATOM 0 HG3 GLN A 68 8.644 -15.214 0.321 1.00 3.00 H new ATOM 0 HE21 GLN A 68 9.580 -16.529 1.980 1.00 53.42 H new ATOM 0 HE22 GLN A 68 8.616 -17.740 2.832 1.00 53.42 H new ATOM 1052 N GLU A 69 6.837 -12.912 -1.252 1.00 22.53 N ATOM 1053 CA GLU A 69 5.759 -12.715 -2.230 1.00 31.40 C ATOM 1054 C GLU A 69 4.388 -13.099 -1.656 1.00 13.53 C ATOM 1055 O GLU A 69 4.062 -14.279 -1.519 1.00 60.15 O ATOM 1056 CB GLU A 69 6.045 -13.501 -3.513 1.00 54.23 C ATOM 1057 CG GLU A 69 7.264 -12.990 -4.267 1.00 3.11 C ATOM 1058 CD GLU A 69 7.481 -13.697 -5.595 1.00 64.44 C ATOM 1059 OE1 GLU A 69 8.120 -14.771 -5.612 1.00 74.25 O ATOM 1060 OE2 GLU A 69 7.003 -13.188 -6.631 1.00 20.44 O ATOM 0 H GLU A 69 7.597 -13.512 -1.572 1.00 22.53 H new ATOM 0 HA GLU A 69 5.726 -11.652 -2.469 1.00 31.40 H new ATOM 0 HB2 GLU A 69 6.194 -14.551 -3.263 1.00 54.23 H new ATOM 0 HB3 GLU A 69 5.173 -13.449 -4.166 1.00 54.23 H new ATOM 0 HG2 GLU A 69 7.152 -11.921 -4.445 1.00 3.11 H new ATOM 0 HG3 GLU A 69 8.149 -13.118 -3.644 1.00 3.11 H new ATOM 1067 N GLY A 70 3.598 -12.084 -1.308 1.00 22.41 N ATOM 1068 CA GLY A 70 2.278 -12.311 -0.715 1.00 24.22 C ATOM 1069 C GLY A 70 2.105 -11.677 0.667 1.00 4.14 C ATOM 1070 O GLY A 70 0.998 -11.675 1.216 1.00 60.03 O ATOM 0 H GLY A 70 3.846 -11.101 -1.425 1.00 22.41 H new ATOM 0 HA2 GLY A 70 1.516 -11.913 -1.385 1.00 24.22 H new ATOM 0 HA3 GLY A 70 2.105 -13.384 -0.636 1.00 24.22 H new ATOM 1074 N ASP A 71 3.199 -11.153 1.241 1.00 52.31 N ATOM 1075 CA ASP A 71 3.152 -10.493 2.561 1.00 60.25 C ATOM 1076 C ASP A 71 2.296 -9.211 2.554 1.00 62.10 C ATOM 1077 O ASP A 71 1.927 -8.685 1.500 1.00 33.41 O ATOM 1078 CB ASP A 71 4.569 -10.175 3.074 1.00 3.35 C ATOM 1079 CG ASP A 71 5.110 -11.261 3.989 1.00 42.30 C ATOM 1080 OD1 ASP A 71 4.710 -11.301 5.169 1.00 34.34 O ATOM 1081 OD2 ASP A 71 5.927 -12.082 3.537 1.00 4.01 O ATOM 0 H ASP A 71 4.126 -11.172 0.816 1.00 52.31 H new ATOM 0 HA ASP A 71 2.677 -11.202 3.239 1.00 60.25 H new ATOM 0 HB2 ASP A 71 5.241 -10.051 2.225 1.00 3.35 H new ATOM 0 HB3 ASP A 71 4.554 -9.226 3.610 1.00 3.35 H new ATOM 1086 N ARG A 72 2.002 -8.716 3.756 1.00 3.20 N ATOM 1087 CA ARG A 72 1.121 -7.560 3.944 1.00 41.12 C ATOM 1088 C ARG A 72 1.895 -6.349 4.495 1.00 12.33 C ATOM 1089 O ARG A 72 2.582 -6.446 5.518 1.00 2.43 O ATOM 1090 CB ARG A 72 -0.014 -7.957 4.902 1.00 45.20 C ATOM 1091 CG ARG A 72 -0.705 -9.259 4.494 1.00 32.41 C ATOM 1092 CD ARG A 72 -1.672 -9.766 5.558 1.00 41.13 C ATOM 1093 NE ARG A 72 -2.253 -11.052 5.175 1.00 22.05 N ATOM 1094 CZ ARG A 72 -2.603 -11.993 6.012 1.00 14.15 C ATOM 1095 NH1 ARG A 72 -2.450 -11.844 7.288 1.00 53.52 N ATOM 1096 NH2 ARG A 72 -3.089 -13.098 5.561 1.00 61.33 N ATOM 0 H ARG A 72 2.366 -9.103 4.626 1.00 3.20 H new ATOM 0 HA ARG A 72 0.707 -7.266 2.979 1.00 41.12 H new ATOM 0 HB2 ARG A 72 0.388 -8.064 5.910 1.00 45.20 H new ATOM 0 HB3 ARG A 72 -0.751 -7.155 4.937 1.00 45.20 H new ATOM 0 HG2 ARG A 72 -1.246 -9.102 3.561 1.00 32.41 H new ATOM 0 HG3 ARG A 72 0.049 -10.022 4.300 1.00 32.41 H new ATOM 0 HD2 ARG A 72 -1.149 -9.869 6.509 1.00 41.13 H new ATOM 0 HD3 ARG A 72 -2.467 -9.035 5.709 1.00 41.13 H new ATOM 0 HE ARG A 72 -2.396 -11.228 4.180 1.00 22.05 H new ATOM 0 HH11 ARG A 72 -2.050 -10.981 7.656 1.00 53.52 H new ATOM 0 HH12 ARG A 72 -2.729 -12.590 7.926 1.00 53.52 H new ATOM 0 HH21 ARG A 72 -3.199 -13.234 4.556 1.00 61.33 H new ATOM 0 HH22 ARG A 72 -3.364 -13.836 6.209 1.00 61.33 H new ATOM 1110 N VAL A 73 1.783 -5.212 3.812 1.00 53.54 N ATOM 1111 CA VAL A 73 2.490 -3.990 4.216 1.00 2.04 C ATOM 1112 C VAL A 73 1.521 -2.880 4.651 1.00 4.21 C ATOM 1113 O VAL A 73 0.469 -2.675 4.040 1.00 64.32 O ATOM 1114 CB VAL A 73 3.403 -3.455 3.081 1.00 20.32 C ATOM 1115 CG1 VAL A 73 4.559 -4.415 2.820 1.00 72.12 C ATOM 1116 CG2 VAL A 73 2.604 -3.210 1.799 1.00 55.30 C ATOM 0 H VAL A 73 1.210 -5.107 2.975 1.00 53.54 H new ATOM 0 HA VAL A 73 3.108 -4.267 5.070 1.00 2.04 H new ATOM 0 HB VAL A 73 3.816 -2.500 3.406 1.00 20.32 H new ATOM 0 HG11 VAL A 73 5.186 -4.020 2.021 1.00 72.12 H new ATOM 0 HG12 VAL A 73 5.153 -4.524 3.727 1.00 72.12 H new ATOM 0 HG13 VAL A 73 4.165 -5.388 2.525 1.00 72.12 H new ATOM 0 HG21 VAL A 73 3.270 -2.836 1.021 1.00 55.30 H new ATOM 0 HG22 VAL A 73 2.150 -4.144 1.469 1.00 55.30 H new ATOM 0 HG23 VAL A 73 1.822 -2.475 1.992 1.00 55.30 H new ATOM 1126 N LYS A 74 1.884 -2.172 5.714 1.00 60.45 N ATOM 1127 CA LYS A 74 1.095 -1.045 6.217 1.00 24.44 C ATOM 1128 C LYS A 74 1.748 0.291 5.812 1.00 34.42 C ATOM 1129 O LYS A 74 2.838 0.630 6.280 1.00 2.32 O ATOM 1130 CB LYS A 74 0.969 -1.146 7.748 1.00 53.41 C ATOM 1131 CG LYS A 74 0.155 -0.022 8.389 1.00 3.30 C ATOM 1132 CD LYS A 74 0.181 -0.100 9.918 1.00 25.53 C ATOM 1133 CE LYS A 74 -0.708 -1.212 10.465 1.00 50.14 C ATOM 1134 NZ LYS A 74 -2.155 -0.873 10.363 1.00 12.41 N ATOM 0 H LYS A 74 2.730 -2.359 6.253 1.00 60.45 H new ATOM 0 HA LYS A 74 0.098 -1.081 5.777 1.00 24.44 H new ATOM 0 HB2 LYS A 74 0.509 -2.101 8.000 1.00 53.41 H new ATOM 0 HB3 LYS A 74 1.968 -1.149 8.183 1.00 53.41 H new ATOM 0 HG2 LYS A 74 0.550 0.942 8.068 1.00 3.30 H new ATOM 0 HG3 LYS A 74 -0.876 -0.076 8.040 1.00 3.30 H new ATOM 0 HD2 LYS A 74 1.206 -0.262 10.252 1.00 25.53 H new ATOM 0 HD3 LYS A 74 -0.142 0.855 10.332 1.00 25.53 H new ATOM 0 HE2 LYS A 74 -0.513 -2.134 9.918 1.00 50.14 H new ATOM 0 HE3 LYS A 74 -0.453 -1.400 11.508 1.00 50.14 H new ATOM 0 HZ1 LYS A 74 -2.571 -0.836 11.316 1.00 12.41 H new ATOM 0 HZ2 LYS A 74 -2.263 0.053 9.902 1.00 12.41 H new ATOM 0 HZ3 LYS A 74 -2.643 -1.599 9.800 1.00 12.41 H new ATOM 1148 N VAL A 75 1.084 1.032 4.925 1.00 51.40 N ATOM 1149 CA VAL A 75 1.603 2.314 4.420 1.00 55.41 C ATOM 1150 C VAL A 75 1.011 3.507 5.193 1.00 24.51 C ATOM 1151 O VAL A 75 -0.206 3.632 5.305 1.00 11.44 O ATOM 1152 CB VAL A 75 1.281 2.491 2.913 1.00 21.22 C ATOM 1153 CG1 VAL A 75 1.884 3.789 2.377 1.00 13.01 C ATOM 1154 CG2 VAL A 75 1.766 1.288 2.107 1.00 31.12 C ATOM 0 H VAL A 75 0.179 0.768 4.536 1.00 51.40 H new ATOM 0 HA VAL A 75 2.683 2.293 4.565 1.00 55.41 H new ATOM 0 HB VAL A 75 0.198 2.553 2.803 1.00 21.22 H new ATOM 0 HG11 VAL A 75 1.645 3.891 1.318 1.00 13.01 H new ATOM 0 HG12 VAL A 75 1.471 4.636 2.926 1.00 13.01 H new ATOM 0 HG13 VAL A 75 2.966 3.767 2.504 1.00 13.01 H new ATOM 0 HG21 VAL A 75 1.528 1.436 1.054 1.00 31.12 H new ATOM 0 HG22 VAL A 75 2.844 1.182 2.224 1.00 31.12 H new ATOM 0 HG23 VAL A 75 1.272 0.386 2.467 1.00 31.12 H new ATOM 1164 N LYS A 76 1.879 4.373 5.725 1.00 64.50 N ATOM 1165 CA LYS A 76 1.447 5.571 6.471 1.00 34.54 C ATOM 1166 C LYS A 76 1.909 6.867 5.784 1.00 10.30 C ATOM 1167 O LYS A 76 3.027 6.954 5.280 1.00 61.32 O ATOM 1168 CB LYS A 76 1.991 5.552 7.915 1.00 52.31 C ATOM 1169 CG LYS A 76 1.325 4.531 8.836 1.00 24.33 C ATOM 1170 CD LYS A 76 1.744 3.096 8.523 1.00 43.53 C ATOM 1171 CE LYS A 76 3.171 2.802 8.975 1.00 65.41 C ATOM 1172 NZ LYS A 76 3.323 2.934 10.450 1.00 63.21 N ATOM 0 H LYS A 76 2.891 4.270 5.655 1.00 64.50 H new ATOM 0 HA LYS A 76 0.357 5.549 6.490 1.00 34.54 H new ATOM 0 HB2 LYS A 76 3.061 5.348 7.883 1.00 52.31 H new ATOM 0 HB3 LYS A 76 1.869 6.545 8.348 1.00 52.31 H new ATOM 0 HG2 LYS A 76 1.578 4.762 9.871 1.00 24.33 H new ATOM 0 HG3 LYS A 76 0.242 4.617 8.745 1.00 24.33 H new ATOM 0 HD2 LYS A 76 1.059 2.404 9.013 1.00 43.53 H new ATOM 0 HD3 LYS A 76 1.661 2.920 7.450 1.00 43.53 H new ATOM 0 HE2 LYS A 76 3.448 1.793 8.670 1.00 65.41 H new ATOM 0 HE3 LYS A 76 3.858 3.486 8.476 1.00 65.41 H new ATOM 0 HZ1 LYS A 76 4.053 2.273 10.784 1.00 63.21 H new ATOM 0 HZ2 LYS A 76 3.604 3.907 10.684 1.00 63.21 H new ATOM 0 HZ3 LYS A 76 2.418 2.714 10.913 1.00 63.21 H new ATOM 1186 N THR A 77 1.038 7.870 5.768 1.00 11.45 N ATOM 1187 CA THR A 77 1.388 9.213 5.272 1.00 42.41 C ATOM 1188 C THR A 77 0.872 10.285 6.236 1.00 14.12 C ATOM 1189 O THR A 77 0.395 9.970 7.325 1.00 3.32 O ATOM 1190 CB THR A 77 0.785 9.504 3.876 1.00 32.23 C ATOM 1191 OG1 THR A 77 -0.647 9.565 3.970 1.00 4.44 O ATOM 1192 CG2 THR A 77 1.197 8.449 2.852 1.00 32.21 C ATOM 0 H THR A 77 0.075 7.785 6.094 1.00 11.45 H new ATOM 0 HA THR A 77 2.475 9.239 5.199 1.00 42.41 H new ATOM 0 HB THR A 77 1.173 10.464 3.536 1.00 32.23 H new ATOM 0 HG1 THR A 77 -1.033 9.604 3.070 1.00 4.44 H new ATOM 0 HG21 THR A 77 0.754 8.688 1.885 1.00 32.21 H new ATOM 0 HG22 THR A 77 2.283 8.436 2.760 1.00 32.21 H new ATOM 0 HG23 THR A 77 0.848 7.469 3.179 1.00 32.21 H new ATOM 1200 N GLU A 78 0.965 11.555 5.843 1.00 2.25 N ATOM 1201 CA GLU A 78 0.402 12.643 6.655 1.00 22.00 C ATOM 1202 C GLU A 78 -1.132 12.707 6.516 1.00 54.35 C ATOM 1203 O GLU A 78 -1.790 13.511 7.175 1.00 61.11 O ATOM 1204 CB GLU A 78 1.017 13.999 6.268 1.00 64.11 C ATOM 1205 CG GLU A 78 0.686 14.462 4.853 1.00 24.44 C ATOM 1206 CD GLU A 78 1.099 15.906 4.600 1.00 42.22 C ATOM 1207 OE1 GLU A 78 0.442 16.819 5.150 1.00 51.53 O ATOM 1208 OE2 GLU A 78 2.078 16.139 3.859 1.00 4.22 O ATOM 0 H GLU A 78 1.417 11.857 4.980 1.00 2.25 H new ATOM 0 HA GLU A 78 0.649 12.431 7.695 1.00 22.00 H new ATOM 0 HB2 GLU A 78 0.673 14.755 6.974 1.00 64.11 H new ATOM 0 HB3 GLU A 78 2.100 13.936 6.372 1.00 64.11 H new ATOM 0 HG2 GLU A 78 1.188 13.813 4.135 1.00 24.44 H new ATOM 0 HG3 GLU A 78 -0.385 14.359 4.682 1.00 24.44 H new ATOM 1215 N PHE A 79 -1.692 11.860 5.650 1.00 63.11 N ATOM 1216 CA PHE A 79 -3.145 11.807 5.440 1.00 15.15 C ATOM 1217 C PHE A 79 -3.781 10.644 6.219 1.00 52.41 C ATOM 1218 O PHE A 79 -4.782 10.824 6.910 1.00 41.14 O ATOM 1219 CB PHE A 79 -3.462 11.677 3.944 1.00 22.01 C ATOM 1220 CG PHE A 79 -3.006 12.863 3.130 1.00 51.44 C ATOM 1221 CD1 PHE A 79 -3.822 13.978 2.986 1.00 62.11 C ATOM 1222 CD2 PHE A 79 -1.760 12.871 2.516 1.00 45.32 C ATOM 1223 CE1 PHE A 79 -3.407 15.070 2.250 1.00 71.13 C ATOM 1224 CE2 PHE A 79 -1.341 13.964 1.779 1.00 2.51 C ATOM 1225 CZ PHE A 79 -2.165 15.063 1.646 1.00 73.33 C ATOM 0 H PHE A 79 -1.163 11.199 5.081 1.00 63.11 H new ATOM 0 HA PHE A 79 -3.571 12.737 5.816 1.00 15.15 H new ATOM 0 HB2 PHE A 79 -2.987 10.776 3.557 1.00 22.01 H new ATOM 0 HB3 PHE A 79 -4.537 11.551 3.818 1.00 22.01 H new ATOM 0 HD1 PHE A 79 -4.794 13.991 3.456 1.00 62.11 H new ATOM 0 HD2 PHE A 79 -1.111 12.014 2.615 1.00 45.32 H new ATOM 0 HE1 PHE A 79 -4.053 15.929 2.147 1.00 71.13 H new ATOM 0 HE2 PHE A 79 -0.369 13.957 1.308 1.00 2.51 H new ATOM 0 HZ PHE A 79 -1.839 15.917 1.070 1.00 73.33 H new ATOM 1235 N GLY A 80 -3.194 9.454 6.099 1.00 42.42 N ATOM 1236 CA GLY A 80 -3.721 8.277 6.791 1.00 3.32 C ATOM 1237 C GLY A 80 -2.863 7.036 6.581 1.00 33.52 C ATOM 1238 O GLY A 80 -1.681 7.144 6.247 1.00 62.10 O ATOM 0 H GLY A 80 -2.362 9.279 5.535 1.00 42.42 H new ATOM 0 HA2 GLY A 80 -3.790 8.489 7.858 1.00 3.32 H new ATOM 0 HA3 GLY A 80 -4.733 8.077 6.439 1.00 3.32 H new ATOM 1242 N GLU A 81 -3.450 5.852 6.770 1.00 73.24 N ATOM 1243 CA GLU A 81 -2.724 4.592 6.554 1.00 12.23 C ATOM 1244 C GLU A 81 -3.627 3.489 5.980 1.00 43.43 C ATOM 1245 O GLU A 81 -4.853 3.549 6.082 1.00 22.50 O ATOM 1246 CB GLU A 81 -2.077 4.098 7.856 1.00 12.40 C ATOM 1247 CG GLU A 81 -3.070 3.717 8.952 1.00 0.11 C ATOM 1248 CD GLU A 81 -2.411 2.962 10.098 1.00 31.22 C ATOM 1249 OE1 GLU A 81 -1.756 3.605 10.948 1.00 3.43 O ATOM 1250 OE2 GLU A 81 -2.527 1.719 10.143 1.00 31.34 O ATOM 0 H GLU A 81 -4.418 5.736 7.070 1.00 73.24 H new ATOM 0 HA GLU A 81 -1.946 4.807 5.822 1.00 12.23 H new ATOM 0 HB2 GLU A 81 -1.454 3.233 7.631 1.00 12.40 H new ATOM 0 HB3 GLU A 81 -1.416 4.877 8.237 1.00 12.40 H new ATOM 0 HG2 GLU A 81 -3.542 4.620 9.340 1.00 0.11 H new ATOM 0 HG3 GLU A 81 -3.861 3.102 8.523 1.00 0.11 H new ATOM 1257 N VAL A 82 -3.002 2.477 5.380 1.00 5.00 N ATOM 1258 CA VAL A 82 -3.729 1.332 4.820 1.00 51.11 C ATOM 1259 C VAL A 82 -2.820 0.092 4.721 1.00 42.11 C ATOM 1260 O VAL A 82 -1.612 0.212 4.515 1.00 75.32 O ATOM 1261 CB VAL A 82 -4.306 1.669 3.418 1.00 62.21 C ATOM 1262 CG1 VAL A 82 -3.190 1.898 2.399 1.00 21.01 C ATOM 1263 CG2 VAL A 82 -5.278 0.586 2.945 1.00 4.30 C ATOM 0 H VAL A 82 -1.990 2.424 5.268 1.00 5.00 H new ATOM 0 HA VAL A 82 -4.554 1.110 5.497 1.00 51.11 H new ATOM 0 HB VAL A 82 -4.866 2.600 3.506 1.00 62.21 H new ATOM 0 HG11 VAL A 82 -3.626 2.132 1.428 1.00 21.01 H new ATOM 0 HG12 VAL A 82 -2.564 2.729 2.725 1.00 21.01 H new ATOM 0 HG13 VAL A 82 -2.582 0.997 2.316 1.00 21.01 H new ATOM 0 HG21 VAL A 82 -5.666 0.850 1.961 1.00 4.30 H new ATOM 0 HG22 VAL A 82 -4.757 -0.370 2.886 1.00 4.30 H new ATOM 0 HG23 VAL A 82 -6.105 0.506 3.651 1.00 4.30 H new ATOM 1273 N VAL A 83 -3.400 -1.097 4.890 1.00 24.53 N ATOM 1274 CA VAL A 83 -2.647 -2.355 4.766 1.00 74.51 C ATOM 1275 C VAL A 83 -2.983 -3.070 3.445 1.00 63.20 C ATOM 1276 O VAL A 83 -4.131 -3.457 3.216 1.00 34.41 O ATOM 1277 CB VAL A 83 -2.940 -3.317 5.950 1.00 44.20 C ATOM 1278 CG1 VAL A 83 -2.080 -4.579 5.854 1.00 30.45 C ATOM 1279 CG2 VAL A 83 -2.728 -2.618 7.296 1.00 23.11 C ATOM 0 H VAL A 83 -4.388 -1.220 5.113 1.00 24.53 H new ATOM 0 HA VAL A 83 -1.589 -2.092 4.780 1.00 74.51 H new ATOM 0 HB VAL A 83 -3.987 -3.613 5.886 1.00 44.20 H new ATOM 0 HG11 VAL A 83 -2.304 -5.236 6.694 1.00 30.45 H new ATOM 0 HG12 VAL A 83 -2.297 -5.097 4.920 1.00 30.45 H new ATOM 0 HG13 VAL A 83 -1.026 -4.304 5.879 1.00 30.45 H new ATOM 0 HG21 VAL A 83 -2.941 -3.316 8.106 1.00 23.11 H new ATOM 0 HG22 VAL A 83 -1.695 -2.279 7.371 1.00 23.11 H new ATOM 0 HG23 VAL A 83 -3.398 -1.761 7.370 1.00 23.11 H new ATOM 1289 N VAL A 84 -1.978 -3.243 2.581 1.00 60.23 N ATOM 1290 CA VAL A 84 -2.170 -3.868 1.261 1.00 70.12 C ATOM 1291 C VAL A 84 -1.192 -5.038 1.033 1.00 41.41 C ATOM 1292 O VAL A 84 -0.348 -5.333 1.881 1.00 32.40 O ATOM 1293 CB VAL A 84 -1.981 -2.834 0.117 1.00 1.02 C ATOM 1294 CG1 VAL A 84 -2.993 -1.694 0.232 1.00 11.53 C ATOM 1295 CG2 VAL A 84 -0.552 -2.287 0.103 1.00 21.22 C ATOM 0 H VAL A 84 -1.017 -2.959 2.770 1.00 60.23 H new ATOM 0 HA VAL A 84 -3.191 -4.249 1.247 1.00 70.12 H new ATOM 0 HB VAL A 84 -2.158 -3.349 -0.827 1.00 1.02 H new ATOM 0 HG11 VAL A 84 -2.837 -0.986 -0.582 1.00 11.53 H new ATOM 0 HG12 VAL A 84 -4.004 -2.097 0.173 1.00 11.53 H new ATOM 0 HG13 VAL A 84 -2.861 -1.185 1.187 1.00 11.53 H new ATOM 0 HG21 VAL A 84 -0.447 -1.565 -0.707 1.00 21.22 H new ATOM 0 HG22 VAL A 84 -0.340 -1.798 1.054 1.00 21.22 H new ATOM 0 HG23 VAL A 84 0.150 -3.107 -0.048 1.00 21.22 H new ATOM 1305 N PHE A 85 -1.312 -5.699 -0.121 1.00 4.13 N ATOM 1306 CA PHE A 85 -0.398 -6.790 -0.489 1.00 24.43 C ATOM 1307 C PHE A 85 0.909 -6.247 -1.093 1.00 12.40 C ATOM 1308 O PHE A 85 0.900 -5.292 -1.873 1.00 10.11 O ATOM 1309 CB PHE A 85 -1.074 -7.749 -1.484 1.00 74.12 C ATOM 1310 CG PHE A 85 -2.236 -8.515 -0.898 1.00 63.20 C ATOM 1311 CD1 PHE A 85 -2.017 -9.602 -0.063 1.00 32.04 C ATOM 1312 CD2 PHE A 85 -3.548 -8.152 -1.185 1.00 62.24 C ATOM 1313 CE1 PHE A 85 -3.076 -10.310 0.470 1.00 3.10 C ATOM 1314 CE2 PHE A 85 -4.610 -8.857 -0.652 1.00 2.25 C ATOM 1315 CZ PHE A 85 -4.374 -9.936 0.177 1.00 24.52 C ATOM 0 H PHE A 85 -2.031 -5.500 -0.817 1.00 4.13 H new ATOM 0 HA PHE A 85 -0.153 -7.335 0.423 1.00 24.43 H new ATOM 0 HB2 PHE A 85 -1.424 -7.178 -2.344 1.00 74.12 H new ATOM 0 HB3 PHE A 85 -0.332 -8.458 -1.852 1.00 74.12 H new ATOM 0 HD1 PHE A 85 -1.005 -9.898 0.173 1.00 32.04 H new ATOM 0 HD2 PHE A 85 -3.739 -7.309 -1.832 1.00 62.24 H new ATOM 0 HE1 PHE A 85 -2.890 -11.156 1.116 1.00 3.10 H new ATOM 0 HE2 PHE A 85 -5.624 -8.565 -0.883 1.00 2.25 H new ATOM 0 HZ PHE A 85 -5.203 -10.487 0.596 1.00 24.52 H new ATOM 1325 N ALA A 86 2.028 -6.867 -0.735 1.00 54.43 N ATOM 1326 CA ALA A 86 3.345 -6.418 -1.196 1.00 70.13 C ATOM 1327 C ALA A 86 3.765 -7.088 -2.517 1.00 30.35 C ATOM 1328 O ALA A 86 3.801 -8.317 -2.620 1.00 21.32 O ATOM 1329 CB ALA A 86 4.385 -6.688 -0.115 1.00 30.23 C ATOM 0 H ALA A 86 2.054 -7.684 -0.125 1.00 54.43 H new ATOM 0 HA ALA A 86 3.279 -5.347 -1.389 1.00 70.13 H new ATOM 0 HB1 ALA A 86 5.363 -6.353 -0.460 1.00 30.23 H new ATOM 0 HB2 ALA A 86 4.116 -6.147 0.792 1.00 30.23 H new ATOM 0 HB3 ALA A 86 4.421 -7.757 0.097 1.00 30.23 H new ATOM 1335 N LYS A 87 4.090 -6.269 -3.519 1.00 62.43 N ATOM 1336 CA LYS A 87 4.623 -6.757 -4.800 1.00 12.31 C ATOM 1337 C LYS A 87 5.982 -6.140 -5.114 1.00 44.42 C ATOM 1338 O LYS A 87 6.348 -5.100 -4.578 1.00 3.21 O ATOM 1339 CB LYS A 87 3.674 -6.451 -5.970 1.00 11.33 C ATOM 1340 CG LYS A 87 2.421 -7.308 -6.045 1.00 41.44 C ATOM 1341 CD LYS A 87 1.750 -7.128 -7.403 1.00 4.22 C ATOM 1342 CE LYS A 87 0.463 -7.923 -7.527 1.00 40.01 C ATOM 1343 NZ LYS A 87 -0.085 -7.866 -8.911 1.00 20.42 N ATOM 0 H LYS A 87 3.993 -5.255 -3.470 1.00 62.43 H new ATOM 0 HA LYS A 87 4.725 -7.837 -4.689 1.00 12.31 H new ATOM 0 HB2 LYS A 87 3.373 -5.405 -5.906 1.00 11.33 H new ATOM 0 HB3 LYS A 87 4.227 -6.567 -6.902 1.00 11.33 H new ATOM 0 HG2 LYS A 87 2.677 -8.356 -5.892 1.00 41.44 H new ATOM 0 HG3 LYS A 87 1.731 -7.029 -5.249 1.00 41.44 H new ATOM 0 HD2 LYS A 87 1.537 -6.071 -7.562 1.00 4.22 H new ATOM 0 HD3 LYS A 87 2.440 -7.435 -8.189 1.00 4.22 H new ATOM 0 HE2 LYS A 87 0.648 -8.961 -7.251 1.00 40.01 H new ATOM 0 HE3 LYS A 87 -0.275 -7.533 -6.826 1.00 40.01 H new ATOM 0 HZ1 LYS A 87 -0.441 -8.805 -9.182 1.00 20.42 H new ATOM 0 HZ2 LYS A 87 -0.863 -7.177 -8.948 1.00 20.42 H new ATOM 0 HZ3 LYS A 87 0.666 -7.577 -9.570 1.00 20.42 H new ATOM 1357 N LYS A 88 6.730 -6.804 -5.982 1.00 25.44 N ATOM 1358 CA LYS A 88 8.004 -6.287 -6.456 1.00 61.41 C ATOM 1359 C LYS A 88 7.834 -5.637 -7.845 1.00 11.32 C ATOM 1360 O LYS A 88 7.507 -6.315 -8.821 1.00 14.33 O ATOM 1361 CB LYS A 88 9.026 -7.427 -6.506 1.00 34.24 C ATOM 1362 CG LYS A 88 10.450 -6.945 -6.334 1.00 30.33 C ATOM 1363 CD LYS A 88 11.462 -8.086 -6.394 1.00 62.22 C ATOM 1364 CE LYS A 88 11.285 -9.080 -5.246 1.00 14.31 C ATOM 1365 NZ LYS A 88 12.296 -10.171 -5.295 1.00 73.34 N ATOM 0 H LYS A 88 6.473 -7.710 -6.375 1.00 25.44 H new ATOM 0 HA LYS A 88 8.365 -5.520 -5.770 1.00 61.41 H new ATOM 0 HB2 LYS A 88 8.795 -8.151 -5.724 1.00 34.24 H new ATOM 0 HB3 LYS A 88 8.936 -7.948 -7.459 1.00 34.24 H new ATOM 0 HG2 LYS A 88 10.681 -6.217 -7.112 1.00 30.33 H new ATOM 0 HG3 LYS A 88 10.543 -6.430 -5.378 1.00 30.33 H new ATOM 0 HD2 LYS A 88 11.359 -8.610 -7.344 1.00 62.22 H new ATOM 0 HD3 LYS A 88 12.471 -7.675 -6.364 1.00 62.22 H new ATOM 0 HE2 LYS A 88 11.365 -8.554 -4.295 1.00 14.31 H new ATOM 0 HE3 LYS A 88 10.284 -9.510 -5.289 1.00 14.31 H new ATOM 0 HZ1 LYS A 88 12.471 -10.526 -4.333 1.00 73.34 H new ATOM 0 HZ2 LYS A 88 11.942 -10.946 -5.891 1.00 73.34 H new ATOM 0 HZ3 LYS A 88 13.183 -9.805 -5.695 1.00 73.34 H new ATOM 1379 N GLY A 89 8.045 -4.321 -7.928 1.00 24.53 N ATOM 1380 CA GLY A 89 7.756 -3.590 -9.165 1.00 4.34 C ATOM 1381 C GLY A 89 8.965 -2.891 -9.785 1.00 13.33 C ATOM 1382 O GLY A 89 10.081 -2.973 -9.275 1.00 13.41 O ATOM 0 H GLY A 89 8.409 -3.747 -7.167 1.00 24.53 H new ATOM 0 HA2 GLY A 89 7.341 -4.285 -9.894 1.00 4.34 H new ATOM 0 HA3 GLY A 89 6.987 -2.845 -8.961 1.00 4.34 H new ATOM 1386 N ASP A 90 8.715 -2.181 -10.883 1.00 61.14 N ATOM 1387 CA ASP A 90 9.763 -1.512 -11.664 1.00 62.12 C ATOM 1388 C ASP A 90 10.022 -0.080 -11.154 1.00 53.43 C ATOM 1389 O ASP A 90 10.353 0.821 -11.929 1.00 64.24 O ATOM 1390 CB ASP A 90 9.329 -1.465 -13.134 1.00 51.14 C ATOM 1391 CG ASP A 90 8.924 -2.829 -13.665 1.00 5.30 C ATOM 1392 OD1 ASP A 90 7.841 -3.325 -13.280 1.00 13.41 O ATOM 1393 OD2 ASP A 90 9.677 -3.412 -14.476 1.00 15.32 O ATOM 0 H ASP A 90 7.777 -2.051 -11.261 1.00 61.14 H new ATOM 0 HA ASP A 90 10.690 -2.075 -11.557 1.00 62.12 H new ATOM 0 HB2 ASP A 90 8.493 -0.774 -13.241 1.00 51.14 H new ATOM 0 HB3 ASP A 90 10.146 -1.071 -13.738 1.00 51.14 H new ATOM 1398 N VAL A 91 9.900 0.115 -9.845 1.00 42.52 N ATOM 1399 CA VAL A 91 9.999 1.448 -9.236 1.00 12.03 C ATOM 1400 C VAL A 91 11.385 1.709 -8.606 1.00 74.23 C ATOM 1401 O VAL A 91 12.054 0.782 -8.149 1.00 40.33 O ATOM 1402 CB VAL A 91 8.900 1.631 -8.156 1.00 22.14 C ATOM 1403 CG1 VAL A 91 7.507 1.579 -8.787 1.00 52.02 C ATOM 1404 CG2 VAL A 91 9.037 0.571 -7.062 1.00 64.24 C ATOM 0 H VAL A 91 9.731 -0.636 -9.176 1.00 42.52 H new ATOM 0 HA VAL A 91 9.857 2.171 -10.039 1.00 12.03 H new ATOM 0 HB VAL A 91 9.031 2.612 -7.700 1.00 22.14 H new ATOM 0 HG11 VAL A 91 6.752 1.709 -8.012 1.00 52.02 H new ATOM 0 HG12 VAL A 91 7.412 2.376 -9.525 1.00 52.02 H new ATOM 0 HG13 VAL A 91 7.364 0.615 -9.274 1.00 52.02 H new ATOM 0 HG21 VAL A 91 8.257 0.717 -6.314 1.00 64.24 H new ATOM 0 HG22 VAL A 91 8.937 -0.421 -7.502 1.00 64.24 H new ATOM 0 HG23 VAL A 91 10.015 0.661 -6.589 1.00 64.24 H new ATOM 1414 N PRO A 92 11.841 2.985 -8.584 1.00 31.34 N ATOM 1415 CA PRO A 92 13.101 3.373 -7.911 1.00 34.50 C ATOM 1416 C PRO A 92 13.058 3.118 -6.392 1.00 74.13 C ATOM 1417 O PRO A 92 11.982 2.949 -5.815 1.00 65.03 O ATOM 1418 CB PRO A 92 13.220 4.882 -8.203 1.00 43.02 C ATOM 1419 CG PRO A 92 12.315 5.126 -9.367 1.00 11.13 C ATOM 1420 CD PRO A 92 11.186 4.144 -9.220 1.00 20.03 C ATOM 0 HA PRO A 92 13.949 2.790 -8.272 1.00 34.50 H new ATOM 0 HB2 PRO A 92 12.920 5.475 -7.339 1.00 43.02 H new ATOM 0 HB3 PRO A 92 14.248 5.158 -8.438 1.00 43.02 H new ATOM 0 HG2 PRO A 92 11.944 6.151 -9.366 1.00 11.13 H new ATOM 0 HG3 PRO A 92 12.842 4.978 -10.310 1.00 11.13 H new ATOM 0 HD2 PRO A 92 10.381 4.543 -8.603 1.00 20.03 H new ATOM 0 HD3 PRO A 92 10.749 3.883 -10.184 1.00 20.03 H new ATOM 1428 N LYS A 93 14.222 3.110 -5.739 1.00 1.20 N ATOM 1429 CA LYS A 93 14.278 2.805 -4.302 1.00 23.41 C ATOM 1430 C LYS A 93 13.634 3.925 -3.466 1.00 0.04 C ATOM 1431 O LYS A 93 13.719 5.105 -3.821 1.00 63.21 O ATOM 1432 CB LYS A 93 15.721 2.578 -3.831 1.00 24.20 C ATOM 1433 CG LYS A 93 15.786 2.006 -2.420 1.00 71.22 C ATOM 1434 CD LYS A 93 17.201 1.922 -1.875 1.00 72.24 C ATOM 1435 CE LYS A 93 17.224 1.200 -0.533 1.00 4.44 C ATOM 1436 NZ LYS A 93 16.262 1.788 0.438 1.00 70.23 N ATOM 0 H LYS A 93 15.125 3.307 -6.170 1.00 1.20 H new ATOM 0 HA LYS A 93 13.713 1.885 -4.153 1.00 23.41 H new ATOM 0 HB2 LYS A 93 16.223 1.898 -4.520 1.00 24.20 H new ATOM 0 HB3 LYS A 93 16.264 3.523 -3.863 1.00 24.20 H new ATOM 0 HG2 LYS A 93 15.183 2.625 -1.755 1.00 71.22 H new ATOM 0 HG3 LYS A 93 15.342 1.010 -2.417 1.00 71.22 H new ATOM 0 HD2 LYS A 93 17.838 1.397 -2.586 1.00 72.24 H new ATOM 0 HD3 LYS A 93 17.611 2.925 -1.760 1.00 72.24 H new ATOM 0 HE2 LYS A 93 16.987 0.147 -0.685 1.00 4.44 H new ATOM 0 HE3 LYS A 93 18.230 1.243 -0.116 1.00 4.44 H new ATOM 0 HZ1 LYS A 93 16.462 1.421 1.390 1.00 70.23 H new ATOM 0 HZ2 LYS A 93 16.359 2.823 0.439 1.00 70.23 H new ATOM 0 HZ3 LYS A 93 15.292 1.532 0.164 1.00 70.23 H new ATOM 1450 N GLY A 94 13.012 3.552 -2.346 1.00 55.01 N ATOM 1451 CA GLY A 94 12.275 4.520 -1.540 1.00 3.43 C ATOM 1452 C GLY A 94 11.082 5.115 -2.287 1.00 42.31 C ATOM 1453 O GLY A 94 10.716 6.278 -2.084 1.00 75.41 O ATOM 0 H GLY A 94 13.005 2.599 -1.982 1.00 55.01 H new ATOM 0 HA2 GLY A 94 11.924 4.037 -0.628 1.00 3.43 H new ATOM 0 HA3 GLY A 94 12.947 5.323 -1.237 1.00 3.43 H new ATOM 1457 N MET A 95 10.474 4.313 -3.154 1.00 13.32 N ATOM 1458 CA MET A 95 9.352 4.755 -3.974 1.00 25.51 C ATOM 1459 C MET A 95 8.454 3.557 -4.322 1.00 30.21 C ATOM 1460 O MET A 95 8.953 2.487 -4.659 1.00 41.34 O ATOM 1461 CB MET A 95 9.914 5.403 -5.242 1.00 3.01 C ATOM 1462 CG MET A 95 8.899 6.163 -6.066 1.00 74.35 C ATOM 1463 SD MET A 95 9.685 7.084 -7.407 1.00 4.13 S ATOM 1464 CE MET A 95 8.327 8.098 -7.983 1.00 61.24 C ATOM 0 H MET A 95 10.744 3.341 -3.308 1.00 13.32 H new ATOM 0 HA MET A 95 8.745 5.480 -3.432 1.00 25.51 H new ATOM 0 HB2 MET A 95 10.717 6.084 -4.960 1.00 3.01 H new ATOM 0 HB3 MET A 95 10.359 4.626 -5.864 1.00 3.01 H new ATOM 0 HG2 MET A 95 8.171 5.466 -6.481 1.00 74.35 H new ATOM 0 HG3 MET A 95 8.351 6.852 -5.424 1.00 74.35 H new ATOM 0 HE1 MET A 95 8.690 9.102 -8.202 1.00 61.24 H new ATOM 0 HE2 MET A 95 7.904 7.660 -8.887 1.00 61.24 H new ATOM 0 HE3 MET A 95 7.559 8.150 -7.211 1.00 61.24 H new ATOM 1474 N ILE A 96 7.134 3.728 -4.228 1.00 54.30 N ATOM 1475 CA ILE A 96 6.200 2.622 -4.491 1.00 23.35 C ATOM 1476 C ILE A 96 4.984 3.069 -5.317 1.00 52.32 C ATOM 1477 O ILE A 96 4.420 4.144 -5.101 1.00 11.12 O ATOM 1478 CB ILE A 96 5.707 1.946 -3.178 1.00 41.32 C ATOM 1479 CG1 ILE A 96 5.003 2.963 -2.259 1.00 73.04 C ATOM 1480 CG2 ILE A 96 6.867 1.269 -2.446 1.00 63.32 C ATOM 1481 CD1 ILE A 96 4.449 2.356 -0.979 1.00 12.10 C ATOM 0 H ILE A 96 6.688 4.610 -3.975 1.00 54.30 H new ATOM 0 HA ILE A 96 6.767 1.894 -5.071 1.00 23.35 H new ATOM 0 HB ILE A 96 4.981 1.180 -3.450 1.00 41.32 H new ATOM 0 HG12 ILE A 96 5.708 3.753 -2.000 1.00 73.04 H new ATOM 0 HG13 ILE A 96 4.188 3.432 -2.810 1.00 73.04 H new ATOM 0 HG21 ILE A 96 6.498 0.804 -1.532 1.00 63.32 H new ATOM 0 HG22 ILE A 96 7.308 0.507 -3.089 1.00 63.32 H new ATOM 0 HG23 ILE A 96 7.623 2.013 -2.195 1.00 63.32 H new ATOM 0 HD11 ILE A 96 3.969 3.134 -0.386 1.00 12.10 H new ATOM 0 HD12 ILE A 96 3.718 1.586 -1.228 1.00 12.10 H new ATOM 0 HD13 ILE A 96 5.262 1.912 -0.405 1.00 12.10 H new ATOM 1493 N PHE A 97 4.590 2.230 -6.272 1.00 35.21 N ATOM 1494 CA PHE A 97 3.422 2.500 -7.117 1.00 43.31 C ATOM 1495 C PHE A 97 2.196 1.709 -6.633 1.00 61.54 C ATOM 1496 O PHE A 97 2.268 0.496 -6.433 1.00 60.41 O ATOM 1497 CB PHE A 97 3.729 2.137 -8.582 1.00 2.51 C ATOM 1498 CG PHE A 97 2.553 2.306 -9.515 1.00 2.43 C ATOM 1499 CD1 PHE A 97 2.305 3.522 -10.134 1.00 42.31 C ATOM 1500 CD2 PHE A 97 1.691 1.244 -9.771 1.00 21.22 C ATOM 1501 CE1 PHE A 97 1.228 3.678 -10.983 1.00 51.22 C ATOM 1502 CE2 PHE A 97 0.612 1.395 -10.619 1.00 5.15 C ATOM 1503 CZ PHE A 97 0.380 2.612 -11.226 1.00 52.21 C ATOM 0 H PHE A 97 5.064 1.352 -6.483 1.00 35.21 H new ATOM 0 HA PHE A 97 3.196 3.564 -7.048 1.00 43.31 H new ATOM 0 HB2 PHE A 97 4.552 2.758 -8.935 1.00 2.51 H new ATOM 0 HB3 PHE A 97 4.069 1.102 -8.626 1.00 2.51 H new ATOM 0 HD1 PHE A 97 2.963 4.358 -9.949 1.00 42.31 H new ATOM 0 HD2 PHE A 97 1.868 0.289 -9.300 1.00 21.22 H new ATOM 0 HE1 PHE A 97 1.047 4.631 -11.457 1.00 51.22 H new ATOM 0 HE2 PHE A 97 -0.049 0.562 -10.807 1.00 5.15 H new ATOM 0 HZ PHE A 97 -0.463 2.733 -11.890 1.00 52.21 H new ATOM 1513 N ILE A 98 1.073 2.398 -6.447 1.00 30.34 N ATOM 1514 CA ILE A 98 -0.188 1.740 -6.097 1.00 53.02 C ATOM 1515 C ILE A 98 -1.273 2.068 -7.137 1.00 72.34 C ATOM 1516 O ILE A 98 -1.424 3.222 -7.541 1.00 31.04 O ATOM 1517 CB ILE A 98 -0.683 2.165 -4.686 1.00 51.43 C ATOM 1518 CG1 ILE A 98 0.374 1.820 -3.621 1.00 34.11 C ATOM 1519 CG2 ILE A 98 -2.022 1.499 -4.353 1.00 1.43 C ATOM 1520 CD1 ILE A 98 -0.070 2.094 -2.197 1.00 71.41 C ATOM 0 H ILE A 98 1.008 3.412 -6.532 1.00 30.34 H new ATOM 0 HA ILE A 98 -0.001 0.666 -6.089 1.00 53.02 H new ATOM 0 HB ILE A 98 -0.835 3.244 -4.688 1.00 51.43 H new ATOM 0 HG12 ILE A 98 0.636 0.766 -3.712 1.00 34.11 H new ATOM 0 HG13 ILE A 98 1.279 2.392 -3.824 1.00 34.11 H new ATOM 0 HG21 ILE A 98 -2.347 1.812 -3.361 1.00 1.43 H new ATOM 0 HG22 ILE A 98 -2.769 1.795 -5.090 1.00 1.43 H new ATOM 0 HG23 ILE A 98 -1.904 0.416 -4.371 1.00 1.43 H new ATOM 0 HD11 ILE A 98 0.731 1.825 -1.508 1.00 71.41 H new ATOM 0 HD12 ILE A 98 -0.303 3.153 -2.086 1.00 71.41 H new ATOM 0 HD13 ILE A 98 -0.957 1.502 -1.972 1.00 71.41 H new ATOM 1532 N PRO A 99 -2.013 1.058 -7.626 1.00 72.04 N ATOM 1533 CA PRO A 99 -3.166 1.292 -8.514 1.00 32.41 C ATOM 1534 C PRO A 99 -4.250 2.149 -7.828 1.00 51.31 C ATOM 1535 O PRO A 99 -4.695 1.830 -6.723 1.00 24.44 O ATOM 1536 CB PRO A 99 -3.682 -0.126 -8.817 1.00 30.23 C ATOM 1537 CG PRO A 99 -2.525 -1.023 -8.524 1.00 74.10 C ATOM 1538 CD PRO A 99 -1.780 -0.376 -7.389 1.00 24.22 C ATOM 0 HA PRO A 99 -2.896 1.846 -9.413 1.00 32.41 H new ATOM 0 HB2 PRO A 99 -4.543 -0.375 -8.196 1.00 30.23 H new ATOM 0 HB3 PRO A 99 -4.001 -0.218 -9.855 1.00 30.23 H new ATOM 0 HG2 PRO A 99 -2.865 -2.022 -8.250 1.00 74.10 H new ATOM 0 HG3 PRO A 99 -1.885 -1.133 -9.399 1.00 74.10 H new ATOM 0 HD2 PRO A 99 -2.163 -0.694 -6.419 1.00 24.22 H new ATOM 0 HD3 PRO A 99 -0.718 -0.623 -7.408 1.00 24.22 H new ATOM 1546 N MET A 100 -4.663 3.235 -8.486 1.00 53.51 N ATOM 1547 CA MET A 100 -5.622 4.187 -7.904 1.00 64.35 C ATOM 1548 C MET A 100 -6.907 3.489 -7.432 1.00 61.52 C ATOM 1549 O MET A 100 -7.693 2.995 -8.240 1.00 3.03 O ATOM 1550 CB MET A 100 -5.962 5.278 -8.926 1.00 41.13 C ATOM 1551 CG MET A 100 -6.964 6.332 -8.451 1.00 73.31 C ATOM 1552 SD MET A 100 -6.315 7.430 -7.162 1.00 51.13 S ATOM 1553 CE MET A 100 -6.731 6.540 -5.661 1.00 65.53 C ATOM 0 H MET A 100 -4.349 3.480 -9.425 1.00 53.51 H new ATOM 0 HA MET A 100 -5.152 4.638 -7.030 1.00 64.35 H new ATOM 0 HB2 MET A 100 -5.040 5.782 -9.215 1.00 41.13 H new ATOM 0 HB3 MET A 100 -6.359 4.802 -9.822 1.00 41.13 H new ATOM 0 HG2 MET A 100 -7.276 6.934 -9.305 1.00 73.31 H new ATOM 0 HG3 MET A 100 -7.854 5.829 -8.073 1.00 73.31 H new ATOM 0 HE1 MET A 100 -6.931 7.251 -4.860 1.00 65.53 H new ATOM 0 HE2 MET A 100 -7.617 5.929 -5.834 1.00 65.53 H new ATOM 0 HE3 MET A 100 -5.898 5.898 -5.376 1.00 65.53 H new ATOM 1563 N GLY A 101 -7.108 3.457 -6.115 1.00 20.43 N ATOM 1564 CA GLY A 101 -8.292 2.815 -5.554 1.00 12.51 C ATOM 1565 C GLY A 101 -8.558 3.227 -4.112 1.00 42.02 C ATOM 1566 O GLY A 101 -7.859 4.087 -3.578 1.00 64.23 O ATOM 0 H GLY A 101 -6.475 3.863 -5.426 1.00 20.43 H new ATOM 0 HA2 GLY A 101 -9.159 3.065 -6.165 1.00 12.51 H new ATOM 0 HA3 GLY A 101 -8.170 1.733 -5.602 1.00 12.51 H new ATOM 1570 N PRO A 102 -9.559 2.615 -3.441 1.00 71.22 N ATOM 1571 CA PRO A 102 -9.908 2.949 -2.044 1.00 13.11 C ATOM 1572 C PRO A 102 -8.712 2.794 -1.096 1.00 52.15 C ATOM 1573 O PRO A 102 -8.555 3.553 -0.141 1.00 62.34 O ATOM 1574 CB PRO A 102 -11.026 1.943 -1.698 1.00 50.42 C ATOM 1575 CG PRO A 102 -10.924 0.870 -2.734 1.00 33.20 C ATOM 1576 CD PRO A 102 -10.428 1.555 -3.978 1.00 44.12 C ATOM 0 HA PRO A 102 -10.217 3.988 -1.935 1.00 13.11 H new ATOM 0 HB2 PRO A 102 -10.893 1.536 -0.696 1.00 50.42 H new ATOM 0 HB3 PRO A 102 -12.006 2.420 -1.721 1.00 50.42 H new ATOM 0 HG2 PRO A 102 -10.237 0.085 -2.419 1.00 33.20 H new ATOM 0 HG3 PRO A 102 -11.891 0.398 -2.906 1.00 33.20 H new ATOM 0 HD2 PRO A 102 -9.879 0.871 -4.625 1.00 44.12 H new ATOM 0 HD3 PRO A 102 -11.248 1.964 -4.569 1.00 44.12 H new ATOM 1584 N TYR A 103 -7.862 1.814 -1.389 1.00 3.15 N ATOM 1585 CA TYR A 103 -6.646 1.562 -0.609 1.00 43.02 C ATOM 1586 C TYR A 103 -5.677 2.748 -0.700 1.00 65.31 C ATOM 1587 O TYR A 103 -5.254 3.300 0.315 1.00 32.41 O ATOM 1588 CB TYR A 103 -5.967 0.277 -1.102 1.00 11.45 C ATOM 1589 CG TYR A 103 -6.810 -0.971 -0.898 1.00 51.21 C ATOM 1590 CD1 TYR A 103 -7.902 -1.246 -1.719 1.00 54.23 C ATOM 1591 CD2 TYR A 103 -6.519 -1.873 0.120 1.00 52.25 C ATOM 1592 CE1 TYR A 103 -8.671 -2.379 -1.530 1.00 52.33 C ATOM 1593 CE2 TYR A 103 -7.284 -3.004 0.313 1.00 71.32 C ATOM 1594 CZ TYR A 103 -8.358 -3.253 -0.512 1.00 60.44 C ATOM 1595 OH TYR A 103 -9.122 -4.382 -0.318 1.00 51.24 O ATOM 0 H TYR A 103 -7.993 1.172 -2.171 1.00 3.15 H new ATOM 0 HA TYR A 103 -6.927 1.439 0.437 1.00 43.02 H new ATOM 0 HB2 TYR A 103 -5.737 0.381 -2.162 1.00 11.45 H new ATOM 0 HB3 TYR A 103 -5.018 0.154 -0.580 1.00 11.45 H new ATOM 0 HD1 TYR A 103 -8.152 -0.562 -2.517 1.00 54.23 H new ATOM 0 HD2 TYR A 103 -5.678 -1.684 0.771 1.00 52.25 H new ATOM 0 HE1 TYR A 103 -9.513 -2.578 -2.177 1.00 52.33 H new ATOM 0 HE2 TYR A 103 -7.041 -3.693 1.109 1.00 71.32 H new ATOM 0 HH TYR A 103 -8.914 -5.041 -1.013 1.00 51.24 H new ATOM 1605 N ALA A 104 -5.345 3.146 -1.926 1.00 2.42 N ATOM 1606 CA ALA A 104 -4.497 4.322 -2.150 1.00 13.40 C ATOM 1607 C ALA A 104 -5.159 5.595 -1.601 1.00 50.45 C ATOM 1608 O ALA A 104 -4.500 6.457 -1.025 1.00 34.23 O ATOM 1609 CB ALA A 104 -4.200 4.477 -3.638 1.00 24.15 C ATOM 0 H ALA A 104 -5.647 2.676 -2.779 1.00 2.42 H new ATOM 0 HA ALA A 104 -3.560 4.174 -1.614 1.00 13.40 H new ATOM 0 HB1 ALA A 104 -3.570 5.353 -3.794 1.00 24.15 H new ATOM 0 HB2 ALA A 104 -3.683 3.589 -4.000 1.00 24.15 H new ATOM 0 HB3 ALA A 104 -5.135 4.601 -4.185 1.00 24.15 H new ATOM 1615 N ASN A 105 -6.474 5.685 -1.765 1.00 3.21 N ATOM 1616 CA ASN A 105 -7.266 6.825 -1.283 1.00 41.35 C ATOM 1617 C ASN A 105 -7.118 7.045 0.241 1.00 64.03 C ATOM 1618 O ASN A 105 -7.440 8.116 0.760 1.00 40.53 O ATOM 1619 CB ASN A 105 -8.734 6.595 -1.672 1.00 64.11 C ATOM 1620 CG ASN A 105 -9.684 7.611 -1.076 1.00 31.54 C ATOM 1621 OD1 ASN A 105 -9.906 8.680 -1.636 1.00 24.11 O ATOM 1622 ND2 ASN A 105 -10.267 7.275 0.055 1.00 23.40 N ATOM 0 H ASN A 105 -7.028 4.970 -2.237 1.00 3.21 H new ATOM 0 HA ASN A 105 -6.893 7.735 -1.752 1.00 41.35 H new ATOM 0 HB2 ASN A 105 -8.822 6.621 -2.758 1.00 64.11 H new ATOM 0 HB3 ASN A 105 -9.034 5.597 -1.352 1.00 64.11 H new ATOM 0 HD21 ASN A 105 -10.930 7.913 0.496 1.00 23.40 H new ATOM 0 HD22 ASN A 105 -10.056 6.377 0.490 1.00 23.40 H new ATOM 1629 N MET A 106 -6.625 6.029 0.949 1.00 45.50 N ATOM 1630 CA MET A 106 -6.400 6.119 2.399 1.00 72.35 C ATOM 1631 C MET A 106 -5.129 6.918 2.742 1.00 24.45 C ATOM 1632 O MET A 106 -5.000 7.447 3.848 1.00 3.03 O ATOM 1633 CB MET A 106 -6.282 4.709 2.994 1.00 44.43 C ATOM 1634 CG MET A 106 -7.541 3.873 2.844 1.00 12.51 C ATOM 1635 SD MET A 106 -8.866 4.414 3.939 1.00 30.44 S ATOM 1636 CE MET A 106 -8.245 3.838 5.519 1.00 3.05 C ATOM 0 H MET A 106 -6.371 5.128 0.543 1.00 45.50 H new ATOM 0 HA MET A 106 -7.254 6.644 2.827 1.00 72.35 H new ATOM 0 HB2 MET A 106 -5.453 4.190 2.513 1.00 44.43 H new ATOM 0 HB3 MET A 106 -6.035 4.791 4.053 1.00 44.43 H new ATOM 0 HG2 MET A 106 -7.885 3.923 1.811 1.00 12.51 H new ATOM 0 HG3 MET A 106 -7.306 2.829 3.052 1.00 12.51 H new ATOM 0 HE1 MET A 106 -9.062 3.801 6.239 1.00 3.05 H new ATOM 0 HE2 MET A 106 -7.820 2.841 5.401 1.00 3.05 H new ATOM 0 HE3 MET A 106 -7.475 4.521 5.878 1.00 3.05 H new ATOM 1646 N VAL A 107 -4.192 7.004 1.795 1.00 13.32 N ATOM 1647 CA VAL A 107 -2.880 7.615 2.059 1.00 61.23 C ATOM 1648 C VAL A 107 -2.564 8.777 1.107 1.00 45.40 C ATOM 1649 O VAL A 107 -1.788 9.672 1.446 1.00 12.31 O ATOM 1650 CB VAL A 107 -1.743 6.562 1.968 1.00 25.12 C ATOM 1651 CG1 VAL A 107 -1.852 5.546 3.104 1.00 73.45 C ATOM 1652 CG2 VAL A 107 -1.753 5.862 0.606 1.00 54.30 C ATOM 0 H VAL A 107 -4.313 6.661 0.842 1.00 13.32 H new ATOM 0 HA VAL A 107 -2.935 8.013 3.072 1.00 61.23 H new ATOM 0 HB VAL A 107 -0.791 7.083 2.071 1.00 25.12 H new ATOM 0 HG11 VAL A 107 -1.045 4.818 3.020 1.00 73.45 H new ATOM 0 HG12 VAL A 107 -1.777 6.061 4.062 1.00 73.45 H new ATOM 0 HG13 VAL A 107 -2.812 5.033 3.042 1.00 73.45 H new ATOM 0 HG21 VAL A 107 -0.947 5.129 0.568 1.00 54.30 H new ATOM 0 HG22 VAL A 107 -2.709 5.358 0.463 1.00 54.30 H new ATOM 0 HG23 VAL A 107 -1.610 6.600 -0.183 1.00 54.30 H new ATOM 1662 N ILE A 108 -3.148 8.763 -0.083 1.00 1.42 N ATOM 1663 CA ILE A 108 -2.887 9.815 -1.066 1.00 62.21 C ATOM 1664 C ILE A 108 -3.776 11.050 -0.831 1.00 51.43 C ATOM 1665 O ILE A 108 -4.604 11.069 0.081 1.00 31.33 O ATOM 1666 CB ILE A 108 -3.087 9.318 -2.513 1.00 34.44 C ATOM 1667 CG1 ILE A 108 -4.573 9.259 -2.882 1.00 24.43 C ATOM 1668 CG2 ILE A 108 -2.437 7.947 -2.719 1.00 1.14 C ATOM 1669 CD1 ILE A 108 -4.771 9.131 -4.364 1.00 12.34 C ATOM 0 H ILE A 108 -3.801 8.043 -0.393 1.00 1.42 H new ATOM 0 HA ILE A 108 -1.843 10.097 -0.932 1.00 62.21 H new ATOM 0 HB ILE A 108 -2.599 10.036 -3.173 1.00 34.44 H new ATOM 0 HG12 ILE A 108 -5.040 8.413 -2.378 1.00 24.43 H new ATOM 0 HG13 ILE A 108 -5.073 10.159 -2.524 1.00 24.43 H new ATOM 0 HG21 ILE A 108 -2.593 7.621 -3.747 1.00 1.14 H new ATOM 0 HG22 ILE A 108 -1.368 8.018 -2.519 1.00 1.14 H new ATOM 0 HG23 ILE A 108 -2.887 7.225 -2.037 1.00 1.14 H new ATOM 0 HD11 ILE A 108 -5.837 9.092 -4.587 1.00 12.34 H new ATOM 0 HD12 ILE A 108 -4.327 9.990 -4.866 1.00 12.34 H new ATOM 0 HD13 ILE A 108 -4.293 8.217 -4.717 1.00 12.34 H new ATOM 1681 N ASP A 109 -3.606 12.074 -1.668 1.00 4.00 N ATOM 1682 CA ASP A 109 -4.419 13.291 -1.577 1.00 61.13 C ATOM 1683 C ASP A 109 -5.450 13.358 -2.719 1.00 0.32 C ATOM 1684 O ASP A 109 -5.087 13.543 -3.885 1.00 64.13 O ATOM 1685 CB ASP A 109 -3.527 14.537 -1.610 1.00 40.55 C ATOM 1686 CG ASP A 109 -4.338 15.823 -1.624 1.00 41.21 C ATOM 1687 OD1 ASP A 109 -5.086 16.070 -0.657 1.00 32.42 O ATOM 1688 OD2 ASP A 109 -4.250 16.580 -2.613 1.00 1.31 O ATOM 0 H ASP A 109 -2.914 12.087 -2.417 1.00 4.00 H new ATOM 0 HA ASP A 109 -4.956 13.261 -0.629 1.00 61.13 H new ATOM 0 HB2 ASP A 109 -2.869 14.534 -0.741 1.00 40.55 H new ATOM 0 HB3 ASP A 109 -2.889 14.502 -2.493 1.00 40.55 H new ATOM 1862 N GLY A 122 4.038 11.003 -6.633 1.00 63.13 N ATOM 1863 CA GLY A 122 2.975 10.579 -5.728 1.00 13.41 C ATOM 1864 C GLY A 122 3.071 11.209 -4.347 1.00 53.03 C ATOM 1865 O GLY A 122 3.917 12.070 -4.099 1.00 13.42 O ATOM 0 HA2 GLY A 122 2.011 10.832 -6.168 1.00 13.41 H new ATOM 0 HA3 GLY A 122 3.005 9.494 -5.627 1.00 13.41 H new ATOM 1869 N VAL A 123 2.201 10.775 -3.446 1.00 21.31 N ATOM 1870 CA VAL A 123 2.198 11.272 -2.066 1.00 44.50 C ATOM 1871 C VAL A 123 3.208 10.505 -1.199 1.00 64.52 C ATOM 1872 O VAL A 123 3.090 9.296 -1.016 1.00 51.32 O ATOM 1873 CB VAL A 123 0.794 11.141 -1.434 1.00 72.14 C ATOM 1874 CG1 VAL A 123 0.791 11.651 0.007 1.00 14.53 C ATOM 1875 CG2 VAL A 123 -0.250 11.870 -2.282 1.00 74.55 C ATOM 0 H VAL A 123 1.483 10.077 -3.641 1.00 21.31 H new ATOM 0 HA VAL A 123 2.482 12.324 -2.103 1.00 44.50 H new ATOM 0 HB VAL A 123 0.529 10.084 -1.410 1.00 72.14 H new ATOM 0 HG11 VAL A 123 -0.209 11.547 0.428 1.00 14.53 H new ATOM 0 HG12 VAL A 123 1.496 11.069 0.600 1.00 14.53 H new ATOM 0 HG13 VAL A 123 1.084 12.701 0.022 1.00 14.53 H new ATOM 0 HG21 VAL A 123 -1.232 11.766 -1.820 1.00 74.55 H new ATOM 0 HG22 VAL A 123 0.009 12.927 -2.349 1.00 74.55 H new ATOM 0 HG23 VAL A 123 -0.272 11.438 -3.282 1.00 74.55 H new ATOM 1885 N LYS A 124 4.195 11.211 -0.656 1.00 3.42 N ATOM 1886 CA LYS A 124 5.261 10.566 0.118 1.00 74.10 C ATOM 1887 C LYS A 124 4.804 10.153 1.526 1.00 64.05 C ATOM 1888 O LYS A 124 3.856 10.707 2.085 1.00 50.11 O ATOM 1889 CB LYS A 124 6.496 11.475 0.213 1.00 65.30 C ATOM 1890 CG LYS A 124 7.168 11.732 -1.134 1.00 5.14 C ATOM 1891 CD LYS A 124 8.522 12.419 -0.979 1.00 63.23 C ATOM 1892 CE LYS A 124 8.400 13.801 -0.349 1.00 51.01 C ATOM 1893 NZ LYS A 124 9.729 14.430 -0.137 1.00 53.44 N ATOM 0 H LYS A 124 4.283 12.224 -0.734 1.00 3.42 H new ATOM 0 HA LYS A 124 5.524 9.655 -0.420 1.00 74.10 H new ATOM 0 HB2 LYS A 124 6.202 12.429 0.652 1.00 65.30 H new ATOM 0 HB3 LYS A 124 7.220 11.022 0.891 1.00 65.30 H new ATOM 0 HG2 LYS A 124 7.300 10.786 -1.659 1.00 5.14 H new ATOM 0 HG3 LYS A 124 6.517 12.351 -1.751 1.00 5.14 H new ATOM 0 HD2 LYS A 124 9.174 11.798 -0.364 1.00 63.23 H new ATOM 0 HD3 LYS A 124 8.996 12.508 -1.957 1.00 63.23 H new ATOM 0 HE2 LYS A 124 7.793 14.440 -0.990 1.00 51.01 H new ATOM 0 HE3 LYS A 124 7.879 13.721 0.605 1.00 51.01 H new ATOM 0 HZ1 LYS A 124 9.604 15.369 0.293 1.00 53.44 H new ATOM 0 HZ2 LYS A 124 10.299 13.832 0.495 1.00 53.44 H new ATOM 0 HZ3 LYS A 124 10.216 14.530 -1.051 1.00 53.44 H new ATOM 1907 N GLY A 125 5.500 9.165 2.078 1.00 11.25 N ATOM 1908 CA GLY A 125 5.209 8.663 3.414 1.00 54.03 C ATOM 1909 C GLY A 125 6.189 7.575 3.851 1.00 51.42 C ATOM 1910 O GLY A 125 7.369 7.611 3.499 1.00 65.02 O ATOM 0 H GLY A 125 6.277 8.693 1.615 1.00 11.25 H new ATOM 0 HA2 GLY A 125 5.245 9.488 4.125 1.00 54.03 H new ATOM 0 HA3 GLY A 125 4.194 8.266 3.437 1.00 54.03 H new ATOM 1914 N THR A 126 5.699 6.600 4.611 1.00 13.42 N ATOM 1915 CA THR A 126 6.526 5.485 5.097 1.00 54.41 C ATOM 1916 C THR A 126 5.793 4.144 4.967 1.00 25.40 C ATOM 1917 O THR A 126 4.575 4.075 5.108 1.00 4.14 O ATOM 1918 CB THR A 126 6.934 5.671 6.579 1.00 75.40 C ATOM 1919 OG1 THR A 126 5.764 5.832 7.397 1.00 53.40 O ATOM 1920 CG2 THR A 126 7.857 6.877 6.757 1.00 25.11 C ATOM 0 H THR A 126 4.725 6.554 4.909 1.00 13.42 H new ATOM 0 HA THR A 126 7.420 5.481 4.473 1.00 54.41 H new ATOM 0 HB THR A 126 7.477 4.778 6.889 1.00 75.40 H new ATOM 0 HG1 THR A 126 6.033 5.963 8.330 1.00 53.40 H new ATOM 0 HG21 THR A 126 8.124 6.979 7.809 1.00 25.11 H new ATOM 0 HG22 THR A 126 8.761 6.734 6.165 1.00 25.11 H new ATOM 0 HG23 THR A 126 7.345 7.780 6.424 1.00 25.11 H new ATOM 1928 N VAL A 127 6.538 3.078 4.699 1.00 44.22 N ATOM 1929 CA VAL A 127 5.955 1.737 4.602 1.00 13.21 C ATOM 1930 C VAL A 127 6.713 0.737 5.490 1.00 65.25 C ATOM 1931 O VAL A 127 7.935 0.820 5.638 1.00 31.10 O ATOM 1932 CB VAL A 127 5.957 1.233 3.132 1.00 72.11 C ATOM 1933 CG1 VAL A 127 7.384 1.087 2.604 1.00 73.13 C ATOM 1934 CG2 VAL A 127 5.190 -0.084 2.998 1.00 52.13 C ATOM 0 H VAL A 127 7.546 3.112 4.545 1.00 44.22 H new ATOM 0 HA VAL A 127 4.925 1.806 4.951 1.00 13.21 H new ATOM 0 HB VAL A 127 5.447 1.981 2.525 1.00 72.11 H new ATOM 0 HG11 VAL A 127 7.356 0.733 1.573 1.00 73.13 H new ATOM 0 HG12 VAL A 127 7.887 2.053 2.642 1.00 73.13 H new ATOM 0 HG13 VAL A 127 7.928 0.370 3.219 1.00 73.13 H new ATOM 0 HG21 VAL A 127 5.209 -0.412 1.959 1.00 52.13 H new ATOM 0 HG22 VAL A 127 5.657 -0.843 3.626 1.00 52.13 H new ATOM 0 HG23 VAL A 127 4.157 0.063 3.314 1.00 52.13 H new ATOM 1944 N GLU A 128 5.977 -0.196 6.089 1.00 23.04 N ATOM 1945 CA GLU A 128 6.570 -1.270 6.899 1.00 72.12 C ATOM 1946 C GLU A 128 5.724 -2.549 6.813 1.00 42.24 C ATOM 1947 O GLU A 128 4.503 -2.486 6.656 1.00 10.42 O ATOM 1948 CB GLU A 128 6.694 -0.824 8.369 1.00 20.05 C ATOM 1949 CG GLU A 128 5.381 -0.334 8.976 1.00 54.15 C ATOM 1950 CD GLU A 128 5.492 0.021 10.454 1.00 51.13 C ATOM 1951 OE1 GLU A 128 5.619 -0.898 11.291 1.00 61.25 O ATOM 1952 OE2 GLU A 128 5.418 1.223 10.789 1.00 73.30 O ATOM 0 H GLU A 128 4.959 -0.234 6.031 1.00 23.04 H new ATOM 0 HA GLU A 128 7.564 -1.483 6.505 1.00 72.12 H new ATOM 0 HB2 GLU A 128 7.069 -1.658 8.962 1.00 20.05 H new ATOM 0 HB3 GLU A 128 7.435 -0.027 8.436 1.00 20.05 H new ATOM 0 HG2 GLU A 128 5.039 0.542 8.424 1.00 54.15 H new ATOM 0 HG3 GLU A 128 4.621 -1.106 8.851 1.00 54.15 H new ATOM 1959 N LYS A 129 6.371 -3.710 6.903 1.00 32.23 N ATOM 1960 CA LYS A 129 5.645 -4.980 6.940 1.00 71.52 C ATOM 1961 C LYS A 129 4.967 -5.155 8.304 1.00 20.31 C ATOM 1962 O LYS A 129 5.557 -4.857 9.343 1.00 65.35 O ATOM 1963 CB LYS A 129 6.579 -6.161 6.651 1.00 40.23 C ATOM 1964 CG LYS A 129 5.862 -7.510 6.625 1.00 61.42 C ATOM 1965 CD LYS A 129 6.783 -8.646 6.187 1.00 70.25 C ATOM 1966 CE LYS A 129 7.941 -8.857 7.153 1.00 25.04 C ATOM 1967 NZ LYS A 129 7.468 -9.248 8.507 1.00 42.13 N ATOM 0 H LYS A 129 7.386 -3.799 6.951 1.00 32.23 H new ATOM 0 HA LYS A 129 4.882 -4.961 6.162 1.00 71.52 H new ATOM 0 HB2 LYS A 129 7.069 -6.000 5.691 1.00 40.23 H new ATOM 0 HB3 LYS A 129 7.362 -6.189 7.408 1.00 40.23 H new ATOM 0 HG2 LYS A 129 5.466 -7.728 7.617 1.00 61.42 H new ATOM 0 HG3 LYS A 129 5.010 -7.454 5.947 1.00 61.42 H new ATOM 0 HD2 LYS A 129 6.207 -9.568 6.108 1.00 70.25 H new ATOM 0 HD3 LYS A 129 7.176 -8.429 5.194 1.00 70.25 H new ATOM 0 HE2 LYS A 129 8.603 -9.630 6.763 1.00 25.04 H new ATOM 0 HE3 LYS A 129 8.527 -7.940 7.224 1.00 25.04 H new ATOM 0 HZ1 LYS A 129 8.279 -9.546 9.086 1.00 42.13 H new ATOM 0 HZ2 LYS A 129 7.000 -8.437 8.959 1.00 42.13 H new ATOM 0 HZ3 LYS A 129 6.794 -10.036 8.425 1.00 42.13 H new ATOM 1981 N THR A 130 3.744 -5.663 8.306 1.00 0.14 N ATOM 1982 CA THR A 130 2.918 -5.649 9.521 1.00 62.10 C ATOM 1983 C THR A 130 2.365 -7.028 9.896 1.00 54.22 C ATOM 1984 O THR A 130 2.323 -7.949 9.078 1.00 64.34 O ATOM 1985 CB THR A 130 1.731 -4.665 9.369 1.00 33.32 C ATOM 1986 OG1 THR A 130 0.868 -4.745 10.514 1.00 5.04 O ATOM 1987 CG2 THR A 130 0.929 -4.959 8.104 1.00 43.31 C ATOM 0 H THR A 130 3.298 -6.088 7.493 1.00 0.14 H new ATOM 0 HA THR A 130 3.583 -5.326 10.322 1.00 62.10 H new ATOM 0 HB THR A 130 2.142 -3.658 9.293 1.00 33.32 H new ATOM 0 HG1 THR A 130 0.569 -3.845 10.762 1.00 5.04 H new ATOM 0 HG21 THR A 130 0.103 -4.252 8.025 1.00 43.31 H new ATOM 0 HG22 THR A 130 1.576 -4.861 7.232 1.00 43.31 H new ATOM 0 HG23 THR A 130 0.535 -5.974 8.151 1.00 43.31 H new ATOM 1995 N ASP A 131 1.948 -7.152 11.157 1.00 50.41 N ATOM 1996 CA ASP A 131 1.273 -8.353 11.654 1.00 53.25 C ATOM 1997 C ASP A 131 -0.260 -8.202 11.528 1.00 12.15 C ATOM 1998 O ASP A 131 -1.029 -9.035 12.013 1.00 45.44 O ATOM 1999 CB ASP A 131 1.664 -8.606 13.118 1.00 34.11 C ATOM 2000 CG ASP A 131 3.166 -8.750 13.305 1.00 32.01 C ATOM 2001 OD1 ASP A 131 3.717 -9.813 12.947 1.00 62.31 O ATOM 2002 OD2 ASP A 131 3.805 -7.800 13.811 1.00 5.24 O ATOM 0 H ASP A 131 2.068 -6.424 11.862 1.00 50.41 H new ATOM 0 HA ASP A 131 1.586 -9.206 11.052 1.00 53.25 H new ATOM 0 HB2 ASP A 131 1.302 -7.783 13.734 1.00 34.11 H new ATOM 0 HB3 ASP A 131 1.169 -9.511 13.471 1.00 34.11 H new ATOM 2007 N GLU A 132 -0.686 -7.116 10.877 1.00 5.53 N ATOM 2008 CA GLU A 132 -2.107 -6.846 10.623 1.00 34.41 C ATOM 2009 C GLU A 132 -2.584 -7.503 9.322 1.00 74.32 C ATOM 2010 O GLU A 132 -1.780 -7.929 8.488 1.00 51.24 O ATOM 2011 CB GLU A 132 -2.346 -5.333 10.539 1.00 72.34 C ATOM 2012 CG GLU A 132 -2.087 -4.588 11.843 1.00 43.22 C ATOM 2013 CD GLU A 132 -3.179 -4.804 12.883 1.00 14.02 C ATOM 2014 OE1 GLU A 132 -3.181 -5.865 13.544 1.00 40.45 O ATOM 2015 OE2 GLU A 132 -4.043 -3.912 13.037 1.00 63.44 O ATOM 0 H GLU A 132 -0.059 -6.400 10.511 1.00 5.53 H new ATOM 0 HA GLU A 132 -2.675 -7.270 11.451 1.00 34.41 H new ATOM 0 HB2 GLU A 132 -1.704 -4.917 9.762 1.00 72.34 H new ATOM 0 HB3 GLU A 132 -3.376 -5.155 10.230 1.00 72.34 H new ATOM 0 HG2 GLU A 132 -1.132 -4.912 12.256 1.00 43.22 H new ATOM 0 HG3 GLU A 132 -1.999 -3.522 11.634 1.00 43.22 H new ATOM 2022 N LYS A 133 -3.899 -7.574 9.152 1.00 23.24 N ATOM 2023 CA LYS A 133 -4.490 -8.130 7.933 1.00 11.32 C ATOM 2024 C LYS A 133 -4.718 -7.040 6.875 1.00 34.02 C ATOM 2025 O LYS A 133 -4.746 -5.849 7.193 1.00 24.31 O ATOM 2026 CB LYS A 133 -5.803 -8.874 8.263 1.00 42.42 C ATOM 2027 CG LYS A 133 -6.832 -8.074 9.080 1.00 51.22 C ATOM 2028 CD LYS A 133 -7.525 -6.980 8.265 1.00 3.20 C ATOM 2029 CE LYS A 133 -8.623 -6.280 9.062 1.00 73.21 C ATOM 2030 NZ LYS A 133 -9.758 -7.190 9.384 1.00 53.41 N ATOM 0 H LYS A 133 -4.580 -7.254 9.841 1.00 23.24 H new ATOM 0 HA LYS A 133 -3.787 -8.848 7.511 1.00 11.32 H new ATOM 0 HB2 LYS A 133 -6.269 -9.183 7.328 1.00 42.42 H new ATOM 0 HB3 LYS A 133 -5.557 -9.783 8.812 1.00 42.42 H new ATOM 0 HG2 LYS A 133 -7.584 -8.757 9.474 1.00 51.22 H new ATOM 0 HG3 LYS A 133 -6.334 -7.620 9.937 1.00 51.22 H new ATOM 0 HD2 LYS A 133 -6.787 -6.246 7.943 1.00 3.20 H new ATOM 0 HD3 LYS A 133 -7.954 -7.417 7.363 1.00 3.20 H new ATOM 0 HE2 LYS A 133 -8.202 -5.887 9.987 1.00 73.21 H new ATOM 0 HE3 LYS A 133 -8.994 -5.428 8.493 1.00 73.21 H new ATOM 0 HZ1 LYS A 133 -10.657 -6.691 9.230 1.00 53.41 H new ATOM 0 HZ2 LYS A 133 -9.717 -8.028 8.769 1.00 53.41 H new ATOM 0 HZ3 LYS A 133 -9.693 -7.487 10.378 1.00 53.41 H new ATOM 2044 N VAL A 134 -4.877 -7.450 5.620 1.00 71.25 N ATOM 2045 CA VAL A 134 -5.160 -6.505 4.536 1.00 10.21 C ATOM 2046 C VAL A 134 -6.588 -5.962 4.650 1.00 74.03 C ATOM 2047 O VAL A 134 -7.546 -6.733 4.766 1.00 52.40 O ATOM 2048 CB VAL A 134 -4.968 -7.160 3.141 1.00 63.24 C ATOM 2049 CG1 VAL A 134 -5.372 -6.199 2.018 1.00 14.30 C ATOM 2050 CG2 VAL A 134 -3.522 -7.621 2.965 1.00 45.11 C ATOM 0 H VAL A 134 -4.816 -8.425 5.326 1.00 71.25 H new ATOM 0 HA VAL A 134 -4.450 -5.684 4.633 1.00 10.21 H new ATOM 0 HB VAL A 134 -5.620 -8.031 3.083 1.00 63.24 H new ATOM 0 HG11 VAL A 134 -5.227 -6.685 1.053 1.00 14.30 H new ATOM 0 HG12 VAL A 134 -6.421 -5.926 2.133 1.00 14.30 H new ATOM 0 HG13 VAL A 134 -4.756 -5.301 2.068 1.00 14.30 H new ATOM 0 HG21 VAL A 134 -3.403 -8.078 1.983 1.00 45.11 H new ATOM 0 HG22 VAL A 134 -2.854 -6.764 3.050 1.00 45.11 H new ATOM 0 HG23 VAL A 134 -3.276 -8.350 3.737 1.00 45.11 H new ATOM 2060 N LEU A 135 -6.732 -4.638 4.626 1.00 24.41 N ATOM 2061 CA LEU A 135 -8.057 -4.021 4.725 1.00 72.04 C ATOM 2062 C LEU A 135 -8.920 -4.362 3.515 1.00 42.34 C ATOM 2063 O LEU A 135 -8.935 -3.633 2.530 1.00 11.01 O ATOM 2064 CB LEU A 135 -7.965 -2.496 4.889 1.00 42.52 C ATOM 2065 CG LEU A 135 -7.934 -1.990 6.337 1.00 3.13 C ATOM 2066 CD1 LEU A 135 -8.070 -0.475 6.371 1.00 20.33 C ATOM 2067 CD2 LEU A 135 -9.040 -2.649 7.163 1.00 52.24 C ATOM 0 H LEU A 135 -5.959 -3.978 4.540 1.00 24.41 H new ATOM 0 HA LEU A 135 -8.528 -4.432 5.618 1.00 72.04 H new ATOM 0 HB2 LEU A 135 -7.066 -2.147 4.381 1.00 42.52 H new ATOM 0 HB3 LEU A 135 -8.816 -2.041 4.381 1.00 42.52 H new ATOM 0 HG LEU A 135 -6.974 -2.261 6.777 1.00 3.13 H new ATOM 0 HD11 LEU A 135 -8.046 -0.131 7.405 1.00 20.33 H new ATOM 0 HD12 LEU A 135 -7.246 -0.023 5.819 1.00 20.33 H new ATOM 0 HD13 LEU A 135 -9.016 -0.184 5.913 1.00 20.33 H new ATOM 0 HD21 LEU A 135 -9.001 -2.277 8.187 1.00 52.24 H new ATOM 0 HD22 LEU A 135 -10.010 -2.411 6.727 1.00 52.24 H new ATOM 0 HD23 LEU A 135 -8.898 -3.730 7.164 1.00 52.24 H new ATOM 2079 N SER A 136 -9.630 -5.478 3.605 1.00 2.02 N ATOM 2080 CA SER A 136 -10.528 -5.913 2.532 1.00 65.11 C ATOM 2081 C SER A 136 -11.483 -4.781 2.138 1.00 33.41 C ATOM 2082 O SER A 136 -11.858 -3.965 2.980 1.00 51.12 O ATOM 2083 CB SER A 136 -11.315 -7.157 2.967 1.00 40.04 C ATOM 2084 OG SER A 136 -10.445 -8.243 3.284 1.00 61.14 O ATOM 0 H SER A 136 -9.605 -6.103 4.410 1.00 2.02 H new ATOM 0 HA SER A 136 -9.927 -6.172 1.660 1.00 65.11 H new ATOM 0 HB2 SER A 136 -11.928 -6.915 3.835 1.00 40.04 H new ATOM 0 HB3 SER A 136 -11.995 -7.456 2.169 1.00 40.04 H new ATOM 0 HG SER A 136 -10.977 -9.019 3.559 1.00 61.14 H new ATOM 2090 N VAL A 137 -11.897 -4.762 0.873 1.00 72.15 N ATOM 2091 CA VAL A 137 -12.610 -3.613 0.295 1.00 74.52 C ATOM 2092 C VAL A 137 -13.714 -3.060 1.219 1.00 11.14 C ATOM 2093 O VAL A 137 -13.782 -1.854 1.453 1.00 31.14 O ATOM 2094 CB VAL A 137 -13.220 -3.982 -1.082 1.00 3.33 C ATOM 2095 CG1 VAL A 137 -13.971 -2.796 -1.685 1.00 61.33 C ATOM 2096 CG2 VAL A 137 -12.130 -4.469 -2.040 1.00 11.34 C ATOM 0 H VAL A 137 -11.752 -5.533 0.221 1.00 72.15 H new ATOM 0 HA VAL A 137 -11.866 -2.826 0.171 1.00 74.52 H new ATOM 0 HB VAL A 137 -13.934 -4.791 -0.928 1.00 3.33 H new ATOM 0 HG11 VAL A 137 -14.389 -3.082 -2.650 1.00 61.33 H new ATOM 0 HG12 VAL A 137 -14.777 -2.497 -1.015 1.00 61.33 H new ATOM 0 HG13 VAL A 137 -13.284 -1.961 -1.820 1.00 61.33 H new ATOM 0 HG21 VAL A 137 -12.577 -4.723 -3.001 1.00 11.34 H new ATOM 0 HG22 VAL A 137 -11.391 -3.681 -2.181 1.00 11.34 H new ATOM 0 HG23 VAL A 137 -11.645 -5.351 -1.621 1.00 11.34 H new ATOM 2106 N LYS A 138 -14.571 -3.930 1.748 1.00 4.11 N ATOM 2107 CA LYS A 138 -15.629 -3.484 2.664 1.00 52.14 C ATOM 2108 C LYS A 138 -15.065 -3.102 4.046 1.00 34.42 C ATOM 2109 O LYS A 138 -15.495 -2.118 4.645 1.00 14.31 O ATOM 2110 CB LYS A 138 -16.723 -4.546 2.823 1.00 25.32 C ATOM 2111 CG LYS A 138 -17.930 -4.040 3.614 1.00 4.41 C ATOM 2112 CD LYS A 138 -18.997 -5.113 3.803 1.00 2.12 C ATOM 2113 CE LYS A 138 -18.524 -6.232 4.720 1.00 1.40 C ATOM 2114 NZ LYS A 138 -19.643 -7.118 5.136 1.00 3.31 N ATOM 0 H LYS A 138 -14.559 -4.933 1.565 1.00 4.11 H new ATOM 0 HA LYS A 138 -16.072 -2.595 2.216 1.00 52.14 H new ATOM 0 HB2 LYS A 138 -17.052 -4.873 1.836 1.00 25.32 H new ATOM 0 HB3 LYS A 138 -16.305 -5.419 3.325 1.00 25.32 H new ATOM 0 HG2 LYS A 138 -17.598 -3.687 4.590 1.00 4.41 H new ATOM 0 HG3 LYS A 138 -18.367 -3.185 3.097 1.00 4.41 H new ATOM 0 HD2 LYS A 138 -19.897 -4.660 4.218 1.00 2.12 H new ATOM 0 HD3 LYS A 138 -19.268 -5.529 2.833 1.00 2.12 H new ATOM 0 HE2 LYS A 138 -17.764 -6.823 4.209 1.00 1.40 H new ATOM 0 HE3 LYS A 138 -18.053 -5.802 5.604 1.00 1.40 H new ATOM 0 HZ1 LYS A 138 -19.280 -7.867 5.759 1.00 3.31 H new ATOM 0 HZ2 LYS A 138 -20.357 -6.559 5.646 1.00 3.31 H new ATOM 0 HZ3 LYS A 138 -20.076 -7.548 4.294 1.00 3.31 H new ATOM 2128 N GLU A 139 -14.096 -3.877 4.545 1.00 62.13 N ATOM 2129 CA GLU A 139 -13.478 -3.605 5.850 1.00 45.32 C ATOM 2130 C GLU A 139 -12.872 -2.194 5.858 1.00 24.23 C ATOM 2131 O GLU A 139 -12.891 -1.484 6.868 1.00 70.13 O ATOM 2132 CB GLU A 139 -12.387 -4.649 6.135 1.00 50.31 C ATOM 2133 CG GLU A 139 -11.779 -4.554 7.531 1.00 60.30 C ATOM 2134 CD GLU A 139 -12.688 -5.108 8.619 1.00 55.34 C ATOM 2135 OE1 GLU A 139 -13.636 -4.406 9.032 1.00 14.34 O ATOM 2136 OE2 GLU A 139 -12.457 -6.252 9.063 1.00 4.04 O ATOM 0 H GLU A 139 -13.722 -4.697 4.067 1.00 62.13 H new ATOM 0 HA GLU A 139 -14.240 -3.666 6.627 1.00 45.32 H new ATOM 0 HB2 GLU A 139 -12.810 -5.645 6.002 1.00 50.31 H new ATOM 0 HB3 GLU A 139 -11.593 -4.539 5.397 1.00 50.31 H new ATOM 0 HG2 GLU A 139 -10.833 -5.095 7.546 1.00 60.30 H new ATOM 0 HG3 GLU A 139 -11.553 -3.511 7.752 1.00 60.30 H new ATOM 2143 N LEU A 140 -12.329 -1.814 4.709 1.00 31.43 N ATOM 2144 CA LEU A 140 -11.805 -0.478 4.473 1.00 44.11 C ATOM 2145 C LEU A 140 -12.925 0.573 4.585 1.00 44.04 C ATOM 2146 O LEU A 140 -12.739 1.633 5.187 1.00 1.01 O ATOM 2147 CB LEU A 140 -11.155 -0.458 3.085 1.00 30.55 C ATOM 2148 CG LEU A 140 -10.033 0.565 2.896 1.00 15.44 C ATOM 2149 CD1 LEU A 140 -9.143 0.165 1.731 1.00 64.43 C ATOM 2150 CD2 LEU A 140 -10.589 1.970 2.687 1.00 73.01 C ATOM 0 H LEU A 140 -12.240 -2.435 3.905 1.00 31.43 H new ATOM 0 HA LEU A 140 -11.059 -0.227 5.227 1.00 44.11 H new ATOM 0 HB2 LEU A 140 -10.756 -1.451 2.876 1.00 30.55 H new ATOM 0 HB3 LEU A 140 -11.930 -0.263 2.343 1.00 30.55 H new ATOM 0 HG LEU A 140 -9.435 0.578 3.807 1.00 15.44 H new ATOM 0 HD11 LEU A 140 -8.350 0.903 1.609 1.00 64.43 H new ATOM 0 HD12 LEU A 140 -8.703 -0.812 1.928 1.00 64.43 H new ATOM 0 HD13 LEU A 140 -9.737 0.118 0.819 1.00 64.43 H new ATOM 0 HD21 LEU A 140 -9.765 2.672 2.556 1.00 73.01 H new ATOM 0 HD22 LEU A 140 -11.221 1.983 1.799 1.00 73.01 H new ATOM 0 HD23 LEU A 140 -11.179 2.261 3.556 1.00 73.01 H new ATOM 2162 N LEU A 141 -14.092 0.260 4.014 1.00 73.50 N ATOM 2163 CA LEU A 141 -15.268 1.133 4.128 1.00 72.42 C ATOM 2164 C LEU A 141 -15.625 1.336 5.606 1.00 13.13 C ATOM 2165 O LEU A 141 -15.705 2.462 6.097 1.00 73.32 O ATOM 2166 CB LEU A 141 -16.480 0.527 3.394 1.00 30.02 C ATOM 2167 CG LEU A 141 -16.248 0.102 1.934 1.00 33.24 C ATOM 2168 CD1 LEU A 141 -17.531 -0.472 1.330 1.00 54.10 C ATOM 2169 CD2 LEU A 141 -15.730 1.268 1.101 1.00 2.32 C ATOM 0 H LEU A 141 -14.249 -0.588 3.470 1.00 73.50 H new ATOM 0 HA LEU A 141 -15.023 2.091 3.669 1.00 72.42 H new ATOM 0 HB2 LEU A 141 -16.819 -0.344 3.954 1.00 30.02 H new ATOM 0 HB3 LEU A 141 -17.291 1.255 3.414 1.00 30.02 H new ATOM 0 HG LEU A 141 -15.487 -0.678 1.925 1.00 33.24 H new ATOM 0 HD11 LEU A 141 -17.347 -0.767 0.297 1.00 54.10 H new ATOM 0 HD12 LEU A 141 -17.846 -1.343 1.905 1.00 54.10 H new ATOM 0 HD13 LEU A 141 -18.316 0.284 1.357 1.00 54.10 H new ATOM 0 HD21 LEU A 141 -15.575 0.940 0.073 1.00 2.32 H new ATOM 0 HD22 LEU A 141 -16.459 2.079 1.117 1.00 2.32 H new ATOM 0 HD23 LEU A 141 -14.786 1.621 1.516 1.00 2.32 H new