USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 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 :FLIP amide:sc= -2.54 F(o=-3.7!,f=-1.2) USER MOD Set 1.2: A 103 TYR OH : rot -160:sc= 1.35 USER MOD Set 2.1: A 30 SER OG : rot 113:sc= -0.442 USER MOD Set 2.2: A 100 MET CE :methyl -176:sc= -1.05 (180deg=-1.12) USER MOD Set 3.1: A 68 GLN : amide:sc= -0.216 K(o=-2.7,f=-9.3!) USER MOD Set 3.2: A 129 LYS NZ :NH3+ -163:sc= -2.47 (180deg=-3.36!) USER MOD Set 4.1: A 23 MET CE :methyl -154:sc= -1.43 (180deg=-2.35) USER MOD Set 4.2: A 126 THR OG1 : rot -160:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.34 K(o=-0.34,f=-4.6!) USER MOD Single : A 54 TYR OH : rot 44:sc= 0.0282 USER MOD Single : A 58 ASN : amide:sc= 0.743 K(o=0.74,f=-5.4!) USER MOD Single : A 63 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.36) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= 0.564 (180deg=0.48) USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= -1.86 (180deg=-2.2) USER MOD Single : A 77 THR OG1 : rot -168:sc= 1.62 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= 0.949 (180deg=0.796) USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 1.2 (180deg=0.98) USER MOD Single : A 95 MET CE :methyl -116:sc= -0.34 (180deg=-4.36!) USER MOD Single : A 105 ASN : amide:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 106 MET CE :methyl -169:sc= 0 (180deg=-0.213) USER MOD Single : A 124 LYS NZ :NH3+ 142:sc= 1.27 (180deg=0.473) USER MOD Single : A 130 THR OG1 : rot -160:sc= -0.177 USER MOD Single : A 133 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.12) USER MOD Single : A 136 SER OG : rot 76:sc= 0.00141 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 11.658 1.187 9.229 1.00 31.22 N ATOM 342 CA MET A 23 10.642 1.501 8.223 1.00 50.33 C ATOM 343 C MET A 23 11.224 2.425 7.143 1.00 64.52 C ATOM 344 O MET A 23 12.104 3.243 7.422 1.00 24.40 O ATOM 345 CB MET A 23 9.438 2.159 8.900 1.00 51.22 C ATOM 346 CG MET A 23 9.735 3.528 9.501 1.00 4.03 C ATOM 347 SD MET A 23 8.452 4.062 10.648 1.00 3.32 S ATOM 348 CE MET A 23 6.985 3.556 9.752 1.00 30.54 C ATOM 0 HA MET A 23 10.319 0.578 7.741 1.00 50.33 H new ATOM 0 HB2 MET A 23 8.635 2.261 8.170 1.00 51.22 H new ATOM 0 HB3 MET A 23 9.072 1.500 9.687 1.00 51.22 H new ATOM 0 HG2 MET A 23 10.693 3.495 10.020 1.00 4.03 H new ATOM 0 HG3 MET A 23 9.832 4.261 8.700 1.00 4.03 H new ATOM 0 HE1 MET A 23 6.143 4.181 10.049 1.00 30.54 H new ATOM 0 HE2 MET A 23 7.157 3.665 8.681 1.00 30.54 H new ATOM 0 HE3 MET A 23 6.761 2.514 9.980 1.00 30.54 H new ATOM 358 N LEU A 24 10.737 2.304 5.915 1.00 45.51 N ATOM 359 CA LEU A 24 11.325 3.040 4.794 1.00 62.11 C ATOM 360 C LEU A 24 10.457 4.204 4.317 1.00 72.15 C ATOM 361 O LEU A 24 9.280 4.043 3.983 1.00 31.31 O ATOM 362 CB LEU A 24 11.632 2.080 3.648 1.00 12.02 C ATOM 363 CG LEU A 24 12.867 1.206 3.895 1.00 71.33 C ATOM 364 CD1 LEU A 24 12.889 0.009 2.955 1.00 20.32 C ATOM 365 CD2 LEU A 24 14.143 2.032 3.745 1.00 31.02 C ATOM 0 H LEU A 24 9.945 1.711 5.667 1.00 45.51 H new ATOM 0 HA LEU A 24 12.252 3.487 5.153 1.00 62.11 H new ATOM 0 HB2 LEU A 24 10.768 1.436 3.483 1.00 12.02 H new ATOM 0 HB3 LEU A 24 11.780 2.654 2.734 1.00 12.02 H new ATOM 0 HG LEU A 24 12.815 0.828 4.916 1.00 71.33 H new ATOM 0 HD11 LEU A 24 13.776 -0.593 3.153 1.00 20.32 H new ATOM 0 HD12 LEU A 24 11.997 -0.596 3.115 1.00 20.32 H new ATOM 0 HD13 LEU A 24 12.910 0.358 1.922 1.00 20.32 H new ATOM 0 HD21 LEU A 24 15.011 1.397 3.924 1.00 31.02 H new ATOM 0 HD22 LEU A 24 14.195 2.442 2.736 1.00 31.02 H new ATOM 0 HD23 LEU A 24 14.136 2.848 4.468 1.00 31.02 H new ATOM 377 N GLU A 25 11.069 5.381 4.306 1.00 63.01 N ATOM 378 CA GLU A 25 10.440 6.596 3.809 1.00 70.52 C ATOM 379 C GLU A 25 10.323 6.552 2.276 1.00 23.32 C ATOM 380 O GLU A 25 11.306 6.759 1.562 1.00 3.21 O ATOM 381 CB GLU A 25 11.270 7.813 4.247 1.00 31.24 C ATOM 382 CG GLU A 25 10.431 8.989 4.711 1.00 71.43 C ATOM 383 CD GLU A 25 11.269 10.216 5.038 1.00 30.21 C ATOM 384 OE1 GLU A 25 11.539 11.017 4.115 1.00 42.33 O ATOM 385 OE2 GLU A 25 11.673 10.380 6.209 1.00 14.31 O ATOM 0 H GLU A 25 12.021 5.520 4.644 1.00 63.01 H new ATOM 0 HA GLU A 25 9.435 6.676 4.224 1.00 70.52 H new ATOM 0 HB2 GLU A 25 11.938 7.514 5.054 1.00 31.24 H new ATOM 0 HB3 GLU A 25 11.898 8.132 3.415 1.00 31.24 H new ATOM 0 HG2 GLU A 25 9.709 9.244 3.935 1.00 71.43 H new ATOM 0 HG3 GLU A 25 9.861 8.698 5.593 1.00 71.43 H new ATOM 392 N VAL A 26 9.125 6.267 1.781 1.00 35.21 N ATOM 393 CA VAL A 26 8.895 6.092 0.340 1.00 31.33 C ATOM 394 C VAL A 26 7.886 7.110 -0.206 1.00 72.14 C ATOM 395 O VAL A 26 7.191 7.784 0.554 1.00 75.21 O ATOM 396 CB VAL A 26 8.373 4.664 0.030 1.00 43.41 C ATOM 397 CG1 VAL A 26 9.380 3.603 0.474 1.00 72.40 C ATOM 398 CG2 VAL A 26 7.013 4.435 0.690 1.00 32.35 C ATOM 0 H VAL A 26 8.289 6.150 2.354 1.00 35.21 H new ATOM 0 HA VAL A 26 9.857 6.250 -0.148 1.00 31.33 H new ATOM 0 HB VAL A 26 8.249 4.575 -1.049 1.00 43.41 H new ATOM 0 HG11 VAL A 26 8.989 2.612 0.245 1.00 72.40 H new ATOM 0 HG12 VAL A 26 10.322 3.752 -0.053 1.00 72.40 H new ATOM 0 HG13 VAL A 26 9.548 3.688 1.548 1.00 72.40 H new ATOM 0 HG21 VAL A 26 6.663 3.428 0.462 1.00 32.35 H new ATOM 0 HG22 VAL A 26 7.109 4.550 1.770 1.00 32.35 H new ATOM 0 HG23 VAL A 26 6.297 5.163 0.310 1.00 32.35 H new ATOM 408 N GLU A 27 7.816 7.231 -1.527 1.00 72.33 N ATOM 409 CA GLU A 27 6.779 8.042 -2.170 1.00 25.42 C ATOM 410 C GLU A 27 5.639 7.146 -2.686 1.00 5.42 C ATOM 411 O GLU A 27 5.844 6.308 -3.563 1.00 11.11 O ATOM 412 CB GLU A 27 7.367 8.875 -3.316 1.00 50.54 C ATOM 413 CG GLU A 27 6.361 9.845 -3.920 1.00 54.42 C ATOM 414 CD GLU A 27 6.952 10.732 -5.004 1.00 15.22 C ATOM 415 OE1 GLU A 27 7.895 11.489 -4.712 1.00 34.23 O ATOM 416 OE2 GLU A 27 6.465 10.693 -6.149 1.00 42.03 O ATOM 0 H GLU A 27 8.462 6.780 -2.176 1.00 72.33 H new ATOM 0 HA GLU A 27 6.374 8.727 -1.426 1.00 25.42 H new ATOM 0 HB2 GLU A 27 8.227 9.434 -2.948 1.00 50.54 H new ATOM 0 HB3 GLU A 27 7.732 8.206 -4.095 1.00 50.54 H new ATOM 0 HG2 GLU A 27 5.528 9.279 -4.338 1.00 54.42 H new ATOM 0 HG3 GLU A 27 5.954 10.474 -3.128 1.00 54.42 H new ATOM 423 N VAL A 28 4.450 7.329 -2.120 1.00 32.11 N ATOM 424 CA VAL A 28 3.282 6.496 -2.438 1.00 74.32 C ATOM 425 C VAL A 28 2.465 7.082 -3.599 1.00 32.24 C ATOM 426 O VAL A 28 1.818 8.123 -3.457 1.00 21.15 O ATOM 427 CB VAL A 28 2.363 6.357 -1.199 1.00 15.24 C ATOM 428 CG1 VAL A 28 1.260 5.331 -1.452 1.00 23.33 C ATOM 429 CG2 VAL A 28 3.180 6.001 0.042 1.00 41.25 C ATOM 0 H VAL A 28 4.263 8.056 -1.429 1.00 32.11 H new ATOM 0 HA VAL A 28 3.659 5.517 -2.735 1.00 74.32 H new ATOM 0 HB VAL A 28 1.884 7.319 -1.018 1.00 15.24 H new ATOM 0 HG11 VAL A 28 0.628 5.251 -0.568 1.00 23.33 H new ATOM 0 HG12 VAL A 28 0.656 5.648 -2.302 1.00 23.33 H new ATOM 0 HG13 VAL A 28 1.708 4.361 -1.667 1.00 23.33 H new ATOM 0 HG21 VAL A 28 2.515 5.908 0.901 1.00 41.25 H new ATOM 0 HG22 VAL A 28 3.696 5.055 -0.121 1.00 41.25 H new ATOM 0 HG23 VAL A 28 3.912 6.786 0.233 1.00 41.25 H new ATOM 439 N ILE A 29 2.483 6.408 -4.743 1.00 41.44 N ATOM 440 CA ILE A 29 1.778 6.898 -5.933 1.00 30.32 C ATOM 441 C ILE A 29 0.433 6.188 -6.126 1.00 72.22 C ATOM 442 O ILE A 29 0.258 5.047 -5.708 1.00 13.30 O ATOM 443 CB ILE A 29 2.622 6.702 -7.221 1.00 24.02 C ATOM 444 CG1 ILE A 29 4.123 6.714 -6.896 1.00 64.42 C ATOM 445 CG2 ILE A 29 2.286 7.798 -8.232 1.00 22.21 C ATOM 446 CD1 ILE A 29 5.011 6.418 -8.086 1.00 42.42 C ATOM 0 H ILE A 29 2.974 5.524 -4.877 1.00 41.44 H new ATOM 0 HA ILE A 29 1.609 7.962 -5.766 1.00 30.32 H new ATOM 0 HB ILE A 29 2.378 5.732 -7.654 1.00 24.02 H new ATOM 0 HG12 ILE A 29 4.389 7.690 -6.490 1.00 64.42 H new ATOM 0 HG13 ILE A 29 4.322 5.980 -6.115 1.00 64.42 H new ATOM 0 HG21 ILE A 29 2.881 7.656 -9.134 1.00 22.21 H new ATOM 0 HG22 ILE A 29 1.227 7.748 -8.484 1.00 22.21 H new ATOM 0 HG23 ILE A 29 2.510 8.773 -7.799 1.00 22.21 H new ATOM 0 HD11 ILE A 29 6.056 6.445 -7.776 1.00 42.42 H new ATOM 0 HD12 ILE A 29 4.774 5.429 -8.480 1.00 42.42 H new ATOM 0 HD13 ILE A 29 4.843 7.166 -8.860 1.00 42.42 H new ATOM 458 N SER A 30 -0.508 6.867 -6.778 1.00 4.14 N ATOM 459 CA SER A 30 -1.808 6.268 -7.115 1.00 53.32 C ATOM 460 C SER A 30 -2.024 6.267 -8.635 1.00 73.24 C ATOM 461 O SER A 30 -2.313 7.303 -9.233 1.00 61.23 O ATOM 462 CB SER A 30 -2.954 7.020 -6.428 1.00 72.40 C ATOM 463 OG SER A 30 -4.191 6.352 -6.615 1.00 4.32 O ATOM 0 H SER A 30 -0.399 7.833 -7.086 1.00 4.14 H new ATOM 0 HA SER A 30 -1.803 5.239 -6.756 1.00 53.32 H new ATOM 0 HB2 SER A 30 -2.745 7.112 -5.362 1.00 72.40 H new ATOM 0 HB3 SER A 30 -3.020 8.032 -6.828 1.00 72.40 H new ATOM 0 HG SER A 30 -4.509 6.006 -5.755 1.00 4.32 H new ATOM 469 N GLY A 31 -1.859 5.101 -9.257 1.00 44.15 N ATOM 470 CA GLY A 31 -1.986 4.996 -10.710 1.00 74.25 C ATOM 471 C GLY A 31 -3.349 4.484 -11.157 1.00 25.01 C ATOM 472 O GLY A 31 -3.817 3.447 -10.683 1.00 22.21 O ATOM 0 H GLY A 31 -1.639 4.224 -8.784 1.00 44.15 H new ATOM 0 HA2 GLY A 31 -1.809 5.975 -11.156 1.00 74.25 H new ATOM 0 HA3 GLY A 31 -1.212 4.328 -11.089 1.00 74.25 H new ATOM 711 N GLU A 47 -12.921 -8.971 -8.280 1.00 44.22 N ATOM 712 CA GLU A 47 -12.088 -8.380 -9.338 1.00 70.31 C ATOM 713 C GLU A 47 -11.534 -7.010 -8.911 1.00 55.44 C ATOM 714 O GLU A 47 -10.498 -6.568 -9.399 1.00 63.01 O ATOM 715 CB GLU A 47 -12.883 -8.241 -10.645 1.00 73.23 C ATOM 716 CG GLU A 47 -13.168 -9.571 -11.344 1.00 3.32 C ATOM 717 CD GLU A 47 -14.052 -10.503 -10.527 1.00 71.34 C ATOM 718 OE1 GLU A 47 -15.263 -10.227 -10.413 1.00 2.14 O ATOM 719 OE2 GLU A 47 -13.541 -11.511 -9.996 1.00 52.33 O ATOM 0 HA GLU A 47 -11.247 -9.053 -9.508 1.00 70.31 H new ATOM 0 HB2 GLU A 47 -13.830 -7.744 -10.431 1.00 73.23 H new ATOM 0 HB3 GLU A 47 -12.331 -7.595 -11.327 1.00 73.23 H new ATOM 0 HG2 GLU A 47 -13.648 -9.374 -12.303 1.00 3.32 H new ATOM 0 HG3 GLU A 47 -12.223 -10.071 -11.557 1.00 3.32 H new ATOM 726 N TYR A 48 -12.245 -6.334 -8.008 1.00 70.52 N ATOM 727 CA TYR A 48 -11.766 -5.073 -7.437 1.00 10.45 C ATOM 728 C TYR A 48 -10.675 -5.350 -6.390 1.00 44.33 C ATOM 729 O TYR A 48 -9.683 -4.625 -6.287 1.00 12.23 O ATOM 730 CB TYR A 48 -12.930 -4.297 -6.794 1.00 52.51 C ATOM 731 CG TYR A 48 -12.724 -2.793 -6.772 1.00 43.44 C ATOM 732 CD1 TYR A 48 -11.777 -2.203 -5.946 1.00 34.32 C ATOM 733 CD2 TYR A 48 -13.467 -1.964 -7.603 1.00 50.23 C ATOM 734 CE1 TYR A 48 -11.578 -0.836 -5.950 1.00 21.33 C ATOM 735 CE2 TYR A 48 -13.279 -0.599 -7.608 1.00 50.41 C ATOM 736 CZ TYR A 48 -12.329 -0.039 -6.786 1.00 3.02 C ATOM 737 OH TYR A 48 -12.135 1.323 -6.799 1.00 33.53 O ATOM 0 H TYR A 48 -13.153 -6.637 -7.656 1.00 70.52 H new ATOM 0 HA TYR A 48 -11.344 -4.466 -8.238 1.00 10.45 H new ATOM 0 HB2 TYR A 48 -13.848 -4.521 -7.337 1.00 52.51 H new ATOM 0 HB3 TYR A 48 -13.070 -4.650 -5.772 1.00 52.51 H new ATOM 0 HD1 TYR A 48 -11.186 -2.823 -5.289 1.00 34.32 H new ATOM 0 HD2 TYR A 48 -14.207 -2.398 -8.259 1.00 50.23 H new ATOM 0 HE1 TYR A 48 -10.837 -0.394 -5.301 1.00 21.33 H new ATOM 0 HE2 TYR A 48 -13.875 0.028 -8.254 1.00 50.41 H new ATOM 0 HH TYR A 48 -12.746 1.734 -7.446 1.00 33.53 H new ATOM 747 N PHE A 49 -10.873 -6.423 -5.629 1.00 45.32 N ATOM 748 CA PHE A 49 -9.938 -6.842 -4.581 1.00 51.21 C ATOM 749 C PHE A 49 -8.542 -7.090 -5.175 1.00 11.02 C ATOM 750 O PHE A 49 -7.583 -6.376 -4.874 1.00 60.44 O ATOM 751 CB PHE A 49 -10.485 -8.117 -3.905 1.00 1.52 C ATOM 752 CG PHE A 49 -9.729 -8.580 -2.680 1.00 34.23 C ATOM 753 CD1 PHE A 49 -8.565 -9.332 -2.800 1.00 12.51 C ATOM 754 CD2 PHE A 49 -10.191 -8.275 -1.403 1.00 72.11 C ATOM 755 CE1 PHE A 49 -7.885 -9.766 -1.679 1.00 3.22 C ATOM 756 CE2 PHE A 49 -9.513 -8.711 -0.280 1.00 55.30 C ATOM 757 CZ PHE A 49 -8.356 -9.454 -0.418 1.00 31.13 C ATOM 0 H PHE A 49 -11.688 -7.030 -5.720 1.00 45.32 H new ATOM 0 HA PHE A 49 -9.843 -6.053 -3.835 1.00 51.21 H new ATOM 0 HB2 PHE A 49 -11.524 -7.942 -3.625 1.00 1.52 H new ATOM 0 HB3 PHE A 49 -10.485 -8.924 -4.637 1.00 1.52 H new ATOM 0 HD1 PHE A 49 -8.188 -9.579 -3.782 1.00 12.51 H new ATOM 0 HD2 PHE A 49 -11.091 -7.690 -1.288 1.00 72.11 H new ATOM 0 HE1 PHE A 49 -6.983 -10.350 -1.788 1.00 3.22 H new ATOM 0 HE2 PHE A 49 -9.887 -8.471 0.704 1.00 55.30 H new ATOM 0 HZ PHE A 49 -7.821 -9.790 0.458 1.00 31.13 H new ATOM 767 N ASN A 50 -8.449 -8.066 -6.071 1.00 22.20 N ATOM 768 CA ASN A 50 -7.163 -8.437 -6.673 1.00 40.24 C ATOM 769 C ASN A 50 -6.636 -7.365 -7.650 1.00 24.12 C ATOM 770 O ASN A 50 -5.573 -7.531 -8.256 1.00 11.53 O ATOM 771 CB ASN A 50 -7.281 -9.802 -7.365 1.00 52.24 C ATOM 772 CG ASN A 50 -8.413 -9.868 -8.379 1.00 33.22 C ATOM 773 OD1 ASN A 50 -8.745 -8.888 -9.031 1.00 53.31 O ATOM 774 ND2 ASN A 50 -9.024 -11.026 -8.506 1.00 33.21 N ATOM 0 H ASN A 50 -9.243 -8.616 -6.399 1.00 22.20 H new ATOM 0 HA ASN A 50 -6.432 -8.507 -5.868 1.00 40.24 H new ATOM 0 HB2 ASN A 50 -6.340 -10.030 -7.866 1.00 52.24 H new ATOM 0 HB3 ASN A 50 -7.434 -10.572 -6.609 1.00 52.24 H new ATOM 0 HD21 ASN A 50 -9.798 -11.125 -9.163 1.00 33.21 H new ATOM 0 HD22 ASN A 50 -8.724 -11.825 -7.948 1.00 33.21 H new ATOM 781 N ALA A 51 -7.382 -6.272 -7.800 1.00 2.54 N ATOM 782 CA ALA A 51 -6.970 -5.157 -8.661 1.00 51.40 C ATOM 783 C ALA A 51 -6.276 -4.027 -7.875 1.00 72.33 C ATOM 784 O ALA A 51 -5.362 -3.381 -8.392 1.00 13.11 O ATOM 785 CB ALA A 51 -8.174 -4.604 -9.415 1.00 34.12 C ATOM 0 H ALA A 51 -8.279 -6.131 -7.336 1.00 2.54 H new ATOM 0 HA ALA A 51 -6.241 -5.552 -9.368 1.00 51.40 H new ATOM 0 HB1 ALA A 51 -7.857 -3.777 -10.051 1.00 34.12 H new ATOM 0 HB2 ALA A 51 -8.609 -5.390 -10.032 1.00 34.12 H new ATOM 0 HB3 ALA A 51 -8.918 -4.249 -8.702 1.00 34.12 H new ATOM 791 N VAL A 52 -6.708 -3.780 -6.631 1.00 14.33 N ATOM 792 CA VAL A 52 -6.189 -2.638 -5.849 1.00 4.04 C ATOM 793 C VAL A 52 -5.611 -3.035 -4.474 1.00 73.42 C ATOM 794 O VAL A 52 -5.182 -2.168 -3.714 1.00 43.51 O ATOM 795 CB VAL A 52 -7.287 -1.567 -5.620 1.00 41.10 C ATOM 796 CG1 VAL A 52 -7.811 -1.027 -6.949 1.00 34.14 C ATOM 797 CG2 VAL A 52 -8.426 -2.128 -4.772 1.00 44.24 C ATOM 0 H VAL A 52 -7.406 -4.344 -6.145 1.00 14.33 H new ATOM 0 HA VAL A 52 -5.376 -2.235 -6.454 1.00 4.04 H new ATOM 0 HB VAL A 52 -6.838 -0.737 -5.075 1.00 41.10 H new ATOM 0 HG11 VAL A 52 -8.580 -0.278 -6.760 1.00 34.14 H new ATOM 0 HG12 VAL A 52 -6.991 -0.573 -7.506 1.00 34.14 H new ATOM 0 HG13 VAL A 52 -8.237 -1.844 -7.531 1.00 34.14 H new ATOM 0 HG21 VAL A 52 -9.184 -1.358 -4.625 1.00 44.24 H new ATOM 0 HG22 VAL A 52 -8.871 -2.983 -5.281 1.00 44.24 H new ATOM 0 HG23 VAL A 52 -8.037 -2.444 -3.804 1.00 44.24 H new ATOM 807 N ASN A 53 -5.588 -4.327 -4.147 1.00 51.10 N ATOM 808 CA ASN A 53 -5.124 -4.770 -2.814 1.00 35.31 C ATOM 809 C ASN A 53 -3.611 -5.046 -2.765 1.00 3.04 C ATOM 810 O ASN A 53 -3.167 -5.911 -2.015 1.00 61.10 O ATOM 811 CB ASN A 53 -5.880 -6.031 -2.363 1.00 22.32 C ATOM 812 CG ASN A 53 -7.313 -5.747 -1.954 1.00 13.53 C ATOM 813 OD1 ASN A 53 -7.993 -4.882 -2.680 1.00 44.04 O flip ATOM 814 ND2 ASN A 53 -7.819 -6.323 -1.000 1.00 41.02 N flip ATOM 0 H ASN A 53 -5.878 -5.081 -4.769 1.00 51.10 H new ATOM 0 HA ASN A 53 -5.334 -3.944 -2.134 1.00 35.31 H new ATOM 0 HB2 ASN A 53 -5.877 -6.760 -3.174 1.00 22.32 H new ATOM 0 HB3 ASN A 53 -5.352 -6.485 -1.525 1.00 22.32 H new ATOM 0 HD21 ASN A 53 -7.269 -6.988 -0.455 1.00 41.02 H new ATOM 0 HD22 ASN A 53 -8.790 -6.138 -0.749 1.00 41.02 H new ATOM 821 N TYR A 54 -2.809 -4.290 -3.510 1.00 63.32 N ATOM 822 CA TYR A 54 -1.356 -4.525 -3.535 1.00 60.53 C ATOM 823 C TYR A 54 -0.559 -3.240 -3.797 1.00 71.14 C ATOM 824 O TYR A 54 -1.087 -2.261 -4.327 1.00 44.44 O ATOM 825 CB TYR A 54 -1.003 -5.586 -4.589 1.00 65.34 C ATOM 826 CG TYR A 54 -1.446 -5.224 -5.993 1.00 35.41 C ATOM 827 CD1 TYR A 54 -2.710 -5.572 -6.449 1.00 42.14 C ATOM 828 CD2 TYR A 54 -0.601 -4.534 -6.859 1.00 62.23 C ATOM 829 CE1 TYR A 54 -3.120 -5.245 -7.723 1.00 73.32 C ATOM 830 CE2 TYR A 54 -1.008 -4.202 -8.136 1.00 42.14 C ATOM 831 CZ TYR A 54 -2.268 -4.560 -8.564 1.00 3.51 C ATOM 832 OH TYR A 54 -2.682 -4.231 -9.834 1.00 11.52 O ATOM 0 H TYR A 54 -3.127 -3.520 -4.098 1.00 63.32 H new ATOM 0 HA TYR A 54 -1.076 -4.886 -2.546 1.00 60.53 H new ATOM 0 HB2 TYR A 54 0.076 -5.742 -4.587 1.00 65.34 H new ATOM 0 HB3 TYR A 54 -1.462 -6.533 -4.306 1.00 65.34 H new ATOM 0 HD1 TYR A 54 -3.382 -6.107 -5.795 1.00 42.14 H new ATOM 0 HD2 TYR A 54 0.388 -4.254 -6.527 1.00 62.23 H new ATOM 0 HE1 TYR A 54 -4.106 -5.524 -8.062 1.00 73.32 H new ATOM 0 HE2 TYR A 54 -0.343 -3.665 -8.796 1.00 42.14 H new ATOM 0 HH TYR A 54 -3.597 -3.881 -9.800 1.00 11.52 H new ATOM 842 N ALA A 55 0.718 -3.260 -3.422 1.00 2.14 N ATOM 843 CA ALA A 55 1.630 -2.137 -3.667 1.00 41.53 C ATOM 844 C ALA A 55 2.934 -2.622 -4.315 1.00 12.42 C ATOM 845 O ALA A 55 3.540 -3.595 -3.858 1.00 2.43 O ATOM 846 CB ALA A 55 1.931 -1.412 -2.361 1.00 2.43 C ATOM 0 H ALA A 55 1.151 -4.049 -2.942 1.00 2.14 H new ATOM 0 HA ALA A 55 1.144 -1.445 -4.355 1.00 41.53 H new ATOM 0 HB1 ALA A 55 2.609 -0.580 -2.554 1.00 2.43 H new ATOM 0 HB2 ALA A 55 1.003 -1.032 -1.934 1.00 2.43 H new ATOM 0 HB3 ALA A 55 2.397 -2.104 -1.660 1.00 2.43 H new ATOM 852 N GLU A 56 3.365 -1.946 -5.378 1.00 23.31 N ATOM 853 CA GLU A 56 4.598 -2.316 -6.078 1.00 45.51 C ATOM 854 C GLU A 56 5.816 -1.625 -5.450 1.00 13.24 C ATOM 855 O GLU A 56 5.944 -0.401 -5.486 1.00 65.12 O ATOM 856 CB GLU A 56 4.505 -1.980 -7.572 1.00 53.51 C ATOM 857 CG GLU A 56 3.361 -2.688 -8.292 1.00 2.10 C ATOM 858 CD GLU A 56 3.495 -2.637 -9.806 1.00 34.24 C ATOM 859 OE1 GLU A 56 3.424 -1.529 -10.379 1.00 10.44 O ATOM 860 OE2 GLU A 56 3.684 -3.705 -10.429 1.00 12.33 O ATOM 0 H GLU A 56 2.881 -1.140 -5.775 1.00 23.31 H new ATOM 0 HA GLU A 56 4.725 -3.394 -5.976 1.00 45.51 H new ATOM 0 HB2 GLU A 56 4.382 -0.903 -7.686 1.00 53.51 H new ATOM 0 HB3 GLU A 56 5.446 -2.246 -8.054 1.00 53.51 H new ATOM 0 HG2 GLU A 56 3.324 -3.729 -7.970 1.00 2.10 H new ATOM 0 HG3 GLU A 56 2.416 -2.230 -8.000 1.00 2.10 H new ATOM 867 N ILE A 57 6.702 -2.432 -4.880 1.00 51.43 N ATOM 868 CA ILE A 57 7.858 -1.945 -4.123 1.00 71.41 C ATOM 869 C ILE A 57 9.179 -2.243 -4.857 1.00 10.41 C ATOM 870 O ILE A 57 9.285 -3.244 -5.568 1.00 52.31 O ATOM 871 CB ILE A 57 7.886 -2.631 -2.734 1.00 34.22 C ATOM 872 CG1 ILE A 57 6.503 -2.517 -2.065 1.00 33.51 C ATOM 873 CG2 ILE A 57 8.974 -2.024 -1.841 1.00 72.21 C ATOM 874 CD1 ILE A 57 6.280 -3.520 -0.958 1.00 52.44 C ATOM 0 H ILE A 57 6.642 -3.449 -4.928 1.00 51.43 H new ATOM 0 HA ILE A 57 7.761 -0.865 -4.015 1.00 71.41 H new ATOM 0 HB ILE A 57 8.124 -3.686 -2.873 1.00 34.22 H new ATOM 0 HG12 ILE A 57 6.386 -1.511 -1.661 1.00 33.51 H new ATOM 0 HG13 ILE A 57 5.731 -2.648 -2.823 1.00 33.51 H new ATOM 0 HG21 ILE A 57 8.971 -2.524 -0.873 1.00 72.21 H new ATOM 0 HG22 ILE A 57 9.947 -2.154 -2.314 1.00 72.21 H new ATOM 0 HG23 ILE A 57 8.778 -0.961 -1.701 1.00 72.21 H new ATOM 0 HD11 ILE A 57 5.286 -3.379 -0.534 1.00 52.44 H new ATOM 0 HD12 ILE A 57 6.364 -4.530 -1.360 1.00 52.44 H new ATOM 0 HD13 ILE A 57 7.030 -3.376 -0.180 1.00 52.44 H new ATOM 886 N ASN A 58 10.178 -1.378 -4.689 1.00 21.03 N ATOM 887 CA ASN A 58 11.508 -1.619 -5.267 1.00 74.32 C ATOM 888 C ASN A 58 12.215 -2.778 -4.541 1.00 65.32 C ATOM 889 O ASN A 58 12.123 -2.897 -3.319 1.00 42.41 O ATOM 890 CB ASN A 58 12.362 -0.351 -5.181 1.00 13.03 C ATOM 891 CG ASN A 58 13.739 -0.538 -5.794 1.00 23.12 C ATOM 892 OD1 ASN A 58 14.681 -0.946 -5.128 1.00 12.13 O ATOM 893 ND2 ASN A 58 13.864 -0.249 -7.071 1.00 40.14 N ATOM 0 H ASN A 58 10.097 -0.508 -4.162 1.00 21.03 H new ATOM 0 HA ASN A 58 11.380 -1.891 -6.315 1.00 74.32 H new ATOM 0 HB2 ASN A 58 11.849 0.465 -5.690 1.00 13.03 H new ATOM 0 HB3 ASN A 58 12.469 -0.058 -4.136 1.00 13.03 H new ATOM 0 HD21 ASN A 58 14.766 -0.363 -7.534 1.00 40.14 H new ATOM 0 HD22 ASN A 58 13.059 0.089 -7.599 1.00 40.14 H new ATOM 900 N GLU A 59 12.925 -3.622 -5.293 1.00 54.02 N ATOM 901 CA GLU A 59 13.600 -4.793 -4.713 1.00 74.33 C ATOM 902 C GLU A 59 14.547 -4.431 -3.551 1.00 63.14 C ATOM 903 O GLU A 59 14.641 -5.168 -2.568 1.00 41.23 O ATOM 904 CB GLU A 59 14.366 -5.567 -5.790 1.00 44.15 C ATOM 905 CG GLU A 59 15.069 -6.806 -5.249 1.00 53.12 C ATOM 906 CD GLU A 59 15.596 -7.718 -6.343 1.00 44.54 C ATOM 907 OE1 GLU A 59 16.706 -7.455 -6.853 1.00 20.03 O ATOM 908 OE2 GLU A 59 14.912 -8.708 -6.683 1.00 24.42 O ATOM 0 H GLU A 59 13.049 -3.520 -6.300 1.00 54.02 H new ATOM 0 HA GLU A 59 12.813 -5.424 -4.300 1.00 74.33 H new ATOM 0 HB2 GLU A 59 13.673 -5.864 -6.577 1.00 44.15 H new ATOM 0 HB3 GLU A 59 15.104 -4.908 -6.247 1.00 44.15 H new ATOM 0 HG2 GLU A 59 15.897 -6.497 -4.612 1.00 53.12 H new ATOM 0 HG3 GLU A 59 14.375 -7.365 -4.621 1.00 53.12 H new ATOM 915 N GLU A 60 15.244 -3.306 -3.660 1.00 61.24 N ATOM 916 CA GLU A 60 16.121 -2.837 -2.576 1.00 65.21 C ATOM 917 C GLU A 60 15.347 -2.674 -1.255 1.00 24.32 C ATOM 918 O GLU A 60 15.736 -3.231 -0.223 1.00 10.13 O ATOM 919 CB GLU A 60 16.792 -1.511 -2.963 1.00 33.10 C ATOM 920 CG GLU A 60 17.934 -1.656 -3.964 1.00 23.12 C ATOM 921 CD GLU A 60 19.187 -2.269 -3.347 1.00 4.10 C ATOM 922 OE1 GLU A 60 19.207 -3.497 -3.120 1.00 74.30 O ATOM 923 OE2 GLU A 60 20.151 -1.521 -3.072 1.00 63.11 O ATOM 0 H GLU A 60 15.224 -2.700 -4.480 1.00 61.24 H new ATOM 0 HA GLU A 60 16.891 -3.594 -2.424 1.00 65.21 H new ATOM 0 HB2 GLU A 60 16.039 -0.845 -3.383 1.00 33.10 H new ATOM 0 HB3 GLU A 60 17.173 -1.033 -2.061 1.00 33.10 H new ATOM 0 HG2 GLU A 60 17.604 -2.277 -4.797 1.00 23.12 H new ATOM 0 HG3 GLU A 60 18.179 -0.676 -4.374 1.00 23.12 H new ATOM 930 N ASP A 61 14.252 -1.915 -1.293 1.00 24.40 N ATOM 931 CA ASP A 61 13.390 -1.747 -0.117 1.00 51.33 C ATOM 932 C ASP A 61 12.770 -3.093 0.291 1.00 20.04 C ATOM 933 O ASP A 61 12.635 -3.404 1.475 1.00 25.11 O ATOM 934 CB ASP A 61 12.286 -0.728 -0.411 1.00 43.15 C ATOM 935 CG ASP A 61 12.842 0.585 -0.932 1.00 11.51 C ATOM 936 OD1 ASP A 61 13.515 1.305 -0.162 1.00 11.33 O ATOM 937 OD2 ASP A 61 12.631 0.891 -2.120 1.00 2.44 O ATOM 0 H ASP A 61 13.939 -1.407 -2.121 1.00 24.40 H new ATOM 0 HA ASP A 61 13.999 -1.379 0.708 1.00 51.33 H new ATOM 0 HB2 ASP A 61 11.595 -1.145 -1.144 1.00 43.15 H new ATOM 0 HB3 ASP A 61 11.713 -0.543 0.498 1.00 43.15 H new ATOM 942 N TRP A 62 12.411 -3.884 -0.717 1.00 11.02 N ATOM 943 CA TRP A 62 11.869 -5.233 -0.526 1.00 74.14 C ATOM 944 C TRP A 62 12.795 -6.094 0.348 1.00 62.43 C ATOM 945 O TRP A 62 12.341 -6.793 1.260 1.00 30.11 O ATOM 946 CB TRP A 62 11.682 -5.890 -1.899 1.00 44.12 C ATOM 947 CG TRP A 62 11.106 -7.271 -1.855 1.00 41.25 C ATOM 948 CD1 TRP A 62 11.786 -8.451 -1.742 1.00 3.33 C ATOM 949 CD2 TRP A 62 9.723 -7.608 -1.944 1.00 2.02 C ATOM 950 NE1 TRP A 62 10.902 -9.500 -1.744 1.00 0.25 N ATOM 951 CE2 TRP A 62 9.632 -9.006 -1.872 1.00 42.20 C ATOM 952 CE3 TRP A 62 8.550 -6.859 -2.075 1.00 75.55 C ATOM 953 CZ2 TRP A 62 8.419 -9.671 -1.929 1.00 33.33 C ATOM 954 CZ3 TRP A 62 7.345 -7.523 -2.131 1.00 4.25 C ATOM 955 CH2 TRP A 62 7.286 -8.917 -2.059 1.00 52.52 C ATOM 0 H TRP A 62 12.487 -3.608 -1.696 1.00 11.02 H new ATOM 0 HA TRP A 62 10.911 -5.156 -0.011 1.00 74.14 H new ATOM 0 HB2 TRP A 62 11.032 -5.258 -2.504 1.00 44.12 H new ATOM 0 HB3 TRP A 62 12.648 -5.929 -2.403 1.00 44.12 H new ATOM 0 HD1 TRP A 62 12.859 -8.544 -1.663 1.00 3.33 H new ATOM 0 HE1 TRP A 62 11.150 -10.486 -1.663 1.00 0.25 H new ATOM 0 HE3 TRP A 62 8.588 -5.781 -2.131 1.00 75.55 H new ATOM 0 HZ2 TRP A 62 8.370 -10.748 -1.873 1.00 33.33 H new ATOM 0 HZ3 TRP A 62 6.431 -6.957 -2.232 1.00 4.25 H new ATOM 0 HH2 TRP A 62 6.326 -9.409 -2.107 1.00 52.52 H new ATOM 966 N ASN A 63 14.094 -6.047 0.054 1.00 75.20 N ATOM 967 CA ASN A 63 15.093 -6.789 0.830 1.00 42.25 C ATOM 968 C ASN A 63 15.257 -6.184 2.236 1.00 24.02 C ATOM 969 O ASN A 63 15.340 -6.905 3.231 1.00 43.43 O ATOM 970 CB ASN A 63 16.447 -6.792 0.103 1.00 72.31 C ATOM 971 CG ASN A 63 16.366 -7.336 -1.316 1.00 5.03 C ATOM 972 OD1 ASN A 63 15.530 -8.174 -1.639 1.00 40.43 O ATOM 973 ND2 ASN A 63 17.248 -6.868 -2.175 1.00 12.30 N ATOM 0 H ASN A 63 14.482 -5.503 -0.717 1.00 75.20 H new ATOM 0 HA ASN A 63 14.742 -7.816 0.932 1.00 42.25 H new ATOM 0 HB2 ASN A 63 16.838 -5.775 0.073 1.00 72.31 H new ATOM 0 HB3 ASN A 63 17.157 -7.390 0.674 1.00 72.31 H new ATOM 0 HD21 ASN A 63 17.248 -7.202 -3.139 1.00 12.30 H new ATOM 0 HD22 ASN A 63 17.931 -6.172 -1.876 1.00 12.30 H new ATOM 980 N ALA A 64 15.281 -4.850 2.304 1.00 21.23 N ATOM 981 CA ALA A 64 15.465 -4.128 3.573 1.00 33.20 C ATOM 982 C ALA A 64 14.344 -4.418 4.584 1.00 2.22 C ATOM 983 O ALA A 64 14.585 -4.501 5.789 1.00 70.34 O ATOM 984 CB ALA A 64 15.547 -2.630 3.307 1.00 53.11 C ATOM 0 H ALA A 64 15.175 -4.242 1.492 1.00 21.23 H new ATOM 0 HA ALA A 64 16.397 -4.482 4.014 1.00 33.20 H new ATOM 0 HB1 ALA A 64 15.683 -2.100 4.250 1.00 53.11 H new ATOM 0 HB2 ALA A 64 16.391 -2.423 2.649 1.00 53.11 H new ATOM 0 HB3 ALA A 64 14.625 -2.294 2.832 1.00 53.11 H new ATOM 990 N LEU A 65 13.119 -4.551 4.084 1.00 71.41 N ATOM 991 CA LEU A 65 11.956 -4.842 4.933 1.00 11.34 C ATOM 992 C LEU A 65 11.771 -6.354 5.150 1.00 51.14 C ATOM 993 O LEU A 65 10.915 -6.776 5.931 1.00 52.24 O ATOM 994 CB LEU A 65 10.691 -4.245 4.301 1.00 41.02 C ATOM 995 CG LEU A 65 10.706 -2.720 4.126 1.00 72.23 C ATOM 996 CD1 LEU A 65 9.469 -2.248 3.365 1.00 22.22 C ATOM 997 CD2 LEU A 65 10.802 -2.021 5.481 1.00 72.30 C ATOM 0 H LEU A 65 12.900 -4.462 3.092 1.00 71.41 H new ATOM 0 HA LEU A 65 12.131 -4.387 5.908 1.00 11.34 H new ATOM 0 HB2 LEU A 65 10.540 -4.705 3.325 1.00 41.02 H new ATOM 0 HB3 LEU A 65 9.834 -4.516 4.917 1.00 41.02 H new ATOM 0 HG LEU A 65 11.587 -2.456 3.541 1.00 72.23 H new ATOM 0 HD11 LEU A 65 9.502 -1.164 3.253 1.00 22.22 H new ATOM 0 HD12 LEU A 65 9.448 -2.714 2.380 1.00 22.22 H new ATOM 0 HD13 LEU A 65 8.573 -2.529 3.918 1.00 22.22 H new ATOM 0 HD21 LEU A 65 10.811 -0.941 5.333 1.00 72.30 H new ATOM 0 HD22 LEU A 65 9.944 -2.296 6.094 1.00 72.30 H new ATOM 0 HD23 LEU A 65 11.720 -2.326 5.984 1.00 72.30 H new ATOM 1009 N GLY A 66 12.580 -7.161 4.458 1.00 30.35 N ATOM 1010 CA GLY A 66 12.464 -8.615 4.544 1.00 32.24 C ATOM 1011 C GLY A 66 11.083 -9.123 4.147 1.00 52.21 C ATOM 1012 O GLY A 66 10.459 -9.902 4.874 1.00 13.12 O ATOM 0 H GLY A 66 13.318 -6.832 3.836 1.00 30.35 H new ATOM 0 HA2 GLY A 66 13.214 -9.073 3.899 1.00 32.24 H new ATOM 0 HA3 GLY A 66 12.683 -8.933 5.563 1.00 32.24 H new ATOM 1016 N LEU A 67 10.605 -8.685 2.991 1.00 73.04 N ATOM 1017 CA LEU A 67 9.252 -9.018 2.534 1.00 31.52 C ATOM 1018 C LEU A 67 9.211 -10.296 1.686 1.00 12.13 C ATOM 1019 O LEU A 67 10.228 -10.745 1.146 1.00 42.03 O ATOM 1020 CB LEU A 67 8.672 -7.845 1.741 1.00 5.31 C ATOM 1021 CG LEU A 67 8.504 -6.549 2.545 1.00 51.13 C ATOM 1022 CD1 LEU A 67 8.015 -5.415 1.649 1.00 12.41 C ATOM 1023 CD2 LEU A 67 7.556 -6.770 3.726 1.00 43.32 C ATOM 0 H LEU A 67 11.132 -8.096 2.346 1.00 73.04 H new ATOM 0 HA LEU A 67 8.648 -9.206 3.422 1.00 31.52 H new ATOM 0 HB2 LEU A 67 9.320 -7.646 0.887 1.00 5.31 H new ATOM 0 HB3 LEU A 67 7.701 -8.138 1.343 1.00 5.31 H new ATOM 0 HG LEU A 67 9.477 -6.261 2.943 1.00 51.13 H new ATOM 0 HD11 LEU A 67 7.903 -4.506 2.241 1.00 12.41 H new ATOM 0 HD12 LEU A 67 8.739 -5.243 0.852 1.00 12.41 H new ATOM 0 HD13 LEU A 67 7.053 -5.685 1.213 1.00 12.41 H new ATOM 0 HD21 LEU A 67 7.448 -5.841 4.285 1.00 43.32 H new ATOM 0 HD22 LEU A 67 6.581 -7.086 3.356 1.00 43.32 H new ATOM 0 HD23 LEU A 67 7.963 -7.542 4.380 1.00 43.32 H new ATOM 1035 N GLN A 68 8.013 -10.870 1.590 1.00 74.30 N ATOM 1036 CA GLN A 68 7.754 -12.066 0.784 1.00 14.43 C ATOM 1037 C GLN A 68 6.613 -11.808 -0.203 1.00 31.44 C ATOM 1038 O GLN A 68 5.646 -11.119 0.121 1.00 51.43 O ATOM 1039 CB GLN A 68 7.387 -13.260 1.676 1.00 5.03 C ATOM 1040 CG GLN A 68 8.564 -13.850 2.451 1.00 5.10 C ATOM 1041 CD GLN A 68 8.774 -13.208 3.818 1.00 43.23 C ATOM 1042 OE1 GLN A 68 8.445 -12.047 4.043 1.00 62.14 O ATOM 1043 NE2 GLN A 68 9.318 -13.964 4.748 1.00 55.44 N ATOM 0 H GLN A 68 7.187 -10.517 2.073 1.00 74.30 H new ATOM 0 HA GLN A 68 8.666 -12.300 0.235 1.00 14.43 H new ATOM 0 HB2 GLN A 68 6.620 -12.947 2.385 1.00 5.03 H new ATOM 0 HB3 GLN A 68 6.948 -14.041 1.055 1.00 5.03 H new ATOM 0 HG2 GLN A 68 8.403 -14.920 2.582 1.00 5.10 H new ATOM 0 HG3 GLN A 68 9.473 -13.734 1.860 1.00 5.10 H new ATOM 0 HE21 GLN A 68 9.582 -14.926 4.534 1.00 55.44 H new ATOM 0 HE22 GLN A 68 9.476 -13.588 5.683 1.00 55.44 H new ATOM 1052 N GLU A 69 6.716 -12.368 -1.403 1.00 53.04 N ATOM 1053 CA GLU A 69 5.690 -12.154 -2.423 1.00 51.40 C ATOM 1054 C GLU A 69 4.342 -12.721 -1.976 1.00 41.35 C ATOM 1055 O GLU A 69 4.065 -13.917 -2.114 1.00 54.34 O ATOM 1056 CB GLU A 69 6.125 -12.748 -3.767 1.00 24.43 C ATOM 1057 CG GLU A 69 7.276 -11.977 -4.396 1.00 61.35 C ATOM 1058 CD GLU A 69 7.707 -12.532 -5.743 1.00 4.21 C ATOM 1059 OE1 GLU A 69 7.163 -12.094 -6.775 1.00 23.15 O ATOM 1060 OE2 GLU A 69 8.598 -13.407 -5.777 1.00 51.24 O ATOM 0 H GLU A 69 7.489 -12.967 -1.694 1.00 53.04 H new ATOM 0 HA GLU A 69 5.567 -11.079 -2.557 1.00 51.40 H new ATOM 0 HB2 GLU A 69 6.423 -13.787 -3.623 1.00 24.43 H new ATOM 0 HB3 GLU A 69 5.277 -12.752 -4.451 1.00 24.43 H new ATOM 0 HG2 GLU A 69 6.982 -10.934 -4.518 1.00 61.35 H new ATOM 0 HG3 GLU A 69 8.128 -11.991 -3.716 1.00 61.35 H new ATOM 1067 N GLY A 70 3.525 -11.846 -1.399 1.00 24.22 N ATOM 1068 CA GLY A 70 2.212 -12.242 -0.908 1.00 11.51 C ATOM 1069 C GLY A 70 1.952 -11.873 0.555 1.00 4.35 C ATOM 1070 O GLY A 70 0.833 -12.065 1.042 1.00 4.54 O ATOM 0 H GLY A 70 3.749 -10.861 -1.261 1.00 24.22 H new ATOM 0 HA2 GLY A 70 1.448 -11.776 -1.530 1.00 11.51 H new ATOM 0 HA3 GLY A 70 2.103 -13.320 -1.024 1.00 11.51 H new ATOM 1074 N ASP A 71 2.966 -11.364 1.273 1.00 53.54 N ATOM 1075 CA ASP A 71 2.769 -10.956 2.679 1.00 54.11 C ATOM 1076 C ASP A 71 2.089 -9.570 2.782 1.00 51.24 C ATOM 1077 O ASP A 71 1.729 -8.963 1.768 1.00 24.04 O ATOM 1078 CB ASP A 71 4.103 -10.988 3.454 1.00 54.33 C ATOM 1079 CG ASP A 71 4.891 -9.689 3.401 1.00 51.42 C ATOM 1080 OD1 ASP A 71 5.656 -9.486 2.444 1.00 35.41 O ATOM 1081 OD2 ASP A 71 4.783 -8.889 4.355 1.00 14.22 O ATOM 0 H ASP A 71 3.912 -11.226 0.916 1.00 53.54 H new ATOM 0 HA ASP A 71 2.096 -11.678 3.141 1.00 54.11 H new ATOM 0 HB2 ASP A 71 3.898 -11.232 4.496 1.00 54.33 H new ATOM 0 HB3 ASP A 71 4.722 -11.791 3.054 1.00 54.33 H new ATOM 1086 N ARG A 72 1.909 -9.078 4.015 1.00 74.30 N ATOM 1087 CA ARG A 72 1.161 -7.834 4.255 1.00 43.50 C ATOM 1088 C ARG A 72 2.084 -6.657 4.613 1.00 61.43 C ATOM 1089 O ARG A 72 2.843 -6.716 5.587 1.00 72.33 O ATOM 1090 CB ARG A 72 0.135 -8.011 5.388 1.00 10.53 C ATOM 1091 CG ARG A 72 -0.890 -9.124 5.166 1.00 25.44 C ATOM 1092 CD ARG A 72 -0.324 -10.506 5.482 1.00 31.32 C ATOM 1093 NE ARG A 72 -1.341 -11.552 5.385 1.00 2.34 N ATOM 1094 CZ ARG A 72 -1.406 -12.588 6.176 1.00 1.13 C ATOM 1095 NH1 ARG A 72 -0.545 -12.744 7.131 1.00 32.53 N ATOM 1096 NH2 ARG A 72 -2.333 -13.470 6.007 1.00 0.14 N ATOM 0 H ARG A 72 2.270 -9.520 4.861 1.00 74.30 H new ATOM 0 HA ARG A 72 0.649 -7.607 3.320 1.00 43.50 H new ATOM 0 HB2 ARG A 72 0.672 -8.212 6.315 1.00 10.53 H new ATOM 0 HB3 ARG A 72 -0.397 -7.070 5.525 1.00 10.53 H new ATOM 0 HG2 ARG A 72 -1.764 -8.940 5.792 1.00 25.44 H new ATOM 0 HG3 ARG A 72 -1.229 -9.101 4.130 1.00 25.44 H new ATOM 0 HD2 ARG A 72 0.492 -10.729 4.794 1.00 31.32 H new ATOM 0 HD3 ARG A 72 0.098 -10.503 6.487 1.00 31.32 H new ATOM 0 HE ARG A 72 -2.045 -11.466 4.652 1.00 2.34 H new ATOM 0 HH11 ARG A 72 0.193 -12.054 7.270 1.00 32.53 H new ATOM 0 HH12 ARG A 72 -0.605 -13.557 7.744 1.00 32.53 H new ATOM 0 HH21 ARG A 72 -3.014 -13.357 5.256 1.00 0.14 H new ATOM 0 HH22 ARG A 72 -2.385 -14.280 6.625 1.00 0.14 H new ATOM 1110 N VAL A 73 1.987 -5.580 3.835 1.00 63.42 N ATOM 1111 CA VAL A 73 2.712 -4.336 4.121 1.00 42.32 C ATOM 1112 C VAL A 73 1.737 -3.201 4.462 1.00 70.35 C ATOM 1113 O VAL A 73 0.612 -3.157 3.957 1.00 5.34 O ATOM 1114 CB VAL A 73 3.600 -3.899 2.932 1.00 24.14 C ATOM 1115 CG1 VAL A 73 4.726 -4.899 2.711 1.00 42.44 C ATOM 1116 CG2 VAL A 73 2.768 -3.720 1.659 1.00 13.24 C ATOM 0 H VAL A 73 1.410 -5.541 2.995 1.00 63.42 H new ATOM 0 HA VAL A 73 3.354 -4.538 4.978 1.00 42.32 H new ATOM 0 HB VAL A 73 4.043 -2.934 3.176 1.00 24.14 H new ATOM 0 HG11 VAL A 73 5.340 -4.575 1.871 1.00 42.44 H new ATOM 0 HG12 VAL A 73 5.341 -4.958 3.609 1.00 42.44 H new ATOM 0 HG13 VAL A 73 4.304 -5.880 2.495 1.00 42.44 H new ATOM 0 HG21 VAL A 73 3.418 -3.413 0.840 1.00 13.24 H new ATOM 0 HG22 VAL A 73 2.285 -4.663 1.405 1.00 13.24 H new ATOM 0 HG23 VAL A 73 2.008 -2.956 1.825 1.00 13.24 H new ATOM 1126 N LYS A 74 2.170 -2.281 5.316 1.00 51.53 N ATOM 1127 CA LYS A 74 1.307 -1.192 5.769 1.00 44.12 C ATOM 1128 C LYS A 74 1.903 0.176 5.411 1.00 24.52 C ATOM 1129 O LYS A 74 3.075 0.446 5.674 1.00 71.24 O ATOM 1130 CB LYS A 74 1.090 -1.305 7.281 1.00 41.00 C ATOM 1131 CG LYS A 74 -0.106 -0.523 7.790 1.00 65.45 C ATOM 1132 CD LYS A 74 -0.318 -0.727 9.288 1.00 23.31 C ATOM 1133 CE LYS A 74 -1.626 -0.105 9.741 1.00 74.32 C ATOM 1134 NZ LYS A 74 -1.709 0.053 11.218 1.00 51.33 N ATOM 0 H LYS A 74 3.111 -2.266 5.709 1.00 51.53 H new ATOM 0 HA LYS A 74 0.347 -1.275 5.260 1.00 44.12 H new ATOM 0 HB2 LYS A 74 0.963 -2.356 7.542 1.00 41.00 H new ATOM 0 HB3 LYS A 74 1.986 -0.955 7.794 1.00 41.00 H new ATOM 0 HG2 LYS A 74 0.038 0.538 7.584 1.00 65.45 H new ATOM 0 HG3 LYS A 74 -1.001 -0.834 7.250 1.00 65.45 H new ATOM 0 HD2 LYS A 74 -0.319 -1.793 9.517 1.00 23.31 H new ATOM 0 HD3 LYS A 74 0.510 -0.283 9.840 1.00 23.31 H new ATOM 0 HE2 LYS A 74 -1.742 0.871 9.269 1.00 74.32 H new ATOM 0 HE3 LYS A 74 -2.455 -0.725 9.399 1.00 74.32 H new ATOM 0 HZ1 LYS A 74 -2.520 0.659 11.457 1.00 51.33 H new ATOM 0 HZ2 LYS A 74 -1.832 -0.880 11.661 1.00 51.33 H new ATOM 0 HZ3 LYS A 74 -0.834 0.491 11.570 1.00 51.33 H new ATOM 1148 N VAL A 75 1.087 1.033 4.805 1.00 13.13 N ATOM 1149 CA VAL A 75 1.527 2.367 4.387 1.00 31.41 C ATOM 1150 C VAL A 75 0.901 3.464 5.265 1.00 70.32 C ATOM 1151 O VAL A 75 -0.295 3.424 5.553 1.00 23.34 O ATOM 1152 CB VAL A 75 1.152 2.637 2.906 1.00 74.11 C ATOM 1153 CG1 VAL A 75 1.647 4.011 2.458 1.00 1.41 C ATOM 1154 CG2 VAL A 75 1.702 1.537 1.998 1.00 35.30 C ATOM 0 H VAL A 75 0.111 0.829 4.590 1.00 13.13 H new ATOM 0 HA VAL A 75 2.611 2.393 4.500 1.00 31.41 H new ATOM 0 HB VAL A 75 0.065 2.630 2.827 1.00 74.11 H new ATOM 0 HG11 VAL A 75 1.371 4.175 1.416 1.00 1.41 H new ATOM 0 HG12 VAL A 75 1.192 4.782 3.080 1.00 1.41 H new ATOM 0 HG13 VAL A 75 2.731 4.057 2.558 1.00 1.41 H new ATOM 0 HG21 VAL A 75 1.427 1.747 0.964 1.00 35.30 H new ATOM 0 HG22 VAL A 75 2.788 1.503 2.085 1.00 35.30 H new ATOM 0 HG23 VAL A 75 1.284 0.576 2.297 1.00 35.30 H new ATOM 1164 N LYS A 76 1.718 4.432 5.695 1.00 55.31 N ATOM 1165 CA LYS A 76 1.222 5.593 6.455 1.00 41.43 C ATOM 1166 C LYS A 76 1.648 6.916 5.805 1.00 63.05 C ATOM 1167 O LYS A 76 2.773 7.050 5.320 1.00 2.12 O ATOM 1168 CB LYS A 76 1.727 5.591 7.908 1.00 60.34 C ATOM 1169 CG LYS A 76 1.304 4.387 8.744 1.00 11.02 C ATOM 1170 CD LYS A 76 2.247 3.204 8.567 1.00 70.43 C ATOM 1171 CE LYS A 76 1.927 2.089 9.548 1.00 63.04 C ATOM 1172 NZ LYS A 76 2.907 0.984 9.463 1.00 42.30 N ATOM 0 H LYS A 76 2.725 4.438 5.532 1.00 55.31 H new ATOM 0 HA LYS A 76 0.135 5.509 6.449 1.00 41.43 H new ATOM 0 HB2 LYS A 76 2.816 5.640 7.897 1.00 60.34 H new ATOM 0 HB3 LYS A 76 1.372 6.497 8.400 1.00 60.34 H new ATOM 0 HG2 LYS A 76 1.273 4.670 9.796 1.00 11.02 H new ATOM 0 HG3 LYS A 76 0.294 4.089 8.464 1.00 11.02 H new ATOM 0 HD2 LYS A 76 2.172 2.826 7.547 1.00 70.43 H new ATOM 0 HD3 LYS A 76 3.276 3.533 8.710 1.00 70.43 H new ATOM 0 HE2 LYS A 76 1.917 2.489 10.562 1.00 63.04 H new ATOM 0 HE3 LYS A 76 0.927 1.704 9.347 1.00 63.04 H new ATOM 0 HZ1 LYS A 76 2.550 0.162 9.991 1.00 42.30 H new ATOM 0 HZ2 LYS A 76 3.048 0.721 8.467 1.00 42.30 H new ATOM 0 HZ3 LYS A 76 3.813 1.291 9.872 1.00 42.30 H new ATOM 1186 N THR A 77 0.741 7.888 5.807 1.00 1.10 N ATOM 1187 CA THR A 77 1.035 9.257 5.359 1.00 73.25 C ATOM 1188 C THR A 77 0.380 10.274 6.304 1.00 62.42 C ATOM 1189 O THR A 77 -0.168 9.905 7.344 1.00 53.42 O ATOM 1190 CB THR A 77 0.511 9.536 3.929 1.00 5.24 C ATOM 1191 OG1 THR A 77 -0.927 9.532 3.922 1.00 22.22 O ATOM 1192 CG2 THR A 77 1.034 8.510 2.926 1.00 71.34 C ATOM 0 H THR A 77 -0.221 7.755 6.118 1.00 1.10 H new ATOM 0 HA THR A 77 2.120 9.357 5.363 1.00 73.25 H new ATOM 0 HB THR A 77 0.877 10.518 3.628 1.00 5.24 H new ATOM 0 HG1 THR A 77 -1.250 9.522 2.997 1.00 22.22 H new ATOM 0 HG21 THR A 77 0.644 8.739 1.934 1.00 71.34 H new ATOM 0 HG22 THR A 77 2.123 8.544 2.905 1.00 71.34 H new ATOM 0 HG23 THR A 77 0.708 7.513 3.222 1.00 71.34 H new ATOM 1200 N GLU A 78 0.423 11.554 5.940 1.00 62.23 N ATOM 1201 CA GLU A 78 -0.272 12.593 6.711 1.00 43.45 C ATOM 1202 C GLU A 78 -1.786 12.590 6.417 1.00 63.11 C ATOM 1203 O GLU A 78 -2.536 13.419 6.940 1.00 14.23 O ATOM 1204 CB GLU A 78 0.342 13.972 6.416 1.00 33.32 C ATOM 1205 CG GLU A 78 0.278 14.390 4.949 1.00 14.33 C ATOM 1206 CD GLU A 78 1.092 15.645 4.664 1.00 23.43 C ATOM 1207 OE1 GLU A 78 0.589 16.763 4.917 1.00 22.23 O ATOM 1208 OE2 GLU A 78 2.246 15.521 4.200 1.00 44.03 O ATOM 0 H GLU A 78 0.927 11.899 5.123 1.00 62.23 H new ATOM 0 HA GLU A 78 -0.144 12.374 7.771 1.00 43.45 H new ATOM 0 HB2 GLU A 78 -0.172 14.721 7.017 1.00 33.32 H new ATOM 0 HB3 GLU A 78 1.384 13.968 6.735 1.00 33.32 H new ATOM 0 HG2 GLU A 78 0.644 13.574 4.326 1.00 14.33 H new ATOM 0 HG3 GLU A 78 -0.761 14.563 4.669 1.00 14.33 H new ATOM 1215 N PHE A 79 -2.229 11.650 5.577 1.00 34.53 N ATOM 1216 CA PHE A 79 -3.656 11.473 5.268 1.00 63.43 C ATOM 1217 C PHE A 79 -4.260 10.293 6.052 1.00 54.03 C ATOM 1218 O PHE A 79 -5.427 10.334 6.455 1.00 24.13 O ATOM 1219 CB PHE A 79 -3.846 11.248 3.761 1.00 10.33 C ATOM 1220 CG PHE A 79 -3.416 12.420 2.914 1.00 21.01 C ATOM 1221 CD1 PHE A 79 -2.091 12.567 2.521 1.00 65.12 C ATOM 1222 CD2 PHE A 79 -4.337 13.375 2.511 1.00 22.43 C ATOM 1223 CE1 PHE A 79 -1.697 13.646 1.751 1.00 51.22 C ATOM 1224 CE2 PHE A 79 -3.947 14.453 1.740 1.00 64.22 C ATOM 1225 CZ PHE A 79 -2.626 14.587 1.359 1.00 72.23 C ATOM 0 H PHE A 79 -1.616 10.993 5.094 1.00 34.53 H new ATOM 0 HA PHE A 79 -4.177 12.382 5.569 1.00 63.43 H new ATOM 0 HB2 PHE A 79 -3.280 10.366 3.460 1.00 10.33 H new ATOM 0 HB3 PHE A 79 -4.897 11.035 3.564 1.00 10.33 H new ATOM 0 HD1 PHE A 79 -1.361 11.830 2.820 1.00 65.12 H new ATOM 0 HD2 PHE A 79 -5.372 13.275 2.803 1.00 22.43 H new ATOM 0 HE1 PHE A 79 -0.663 13.752 1.457 1.00 51.22 H new ATOM 0 HE2 PHE A 79 -4.675 15.191 1.435 1.00 64.22 H new ATOM 0 HZ PHE A 79 -2.321 15.428 0.754 1.00 72.23 H new ATOM 1235 N GLY A 80 -3.464 9.240 6.255 1.00 61.22 N ATOM 1236 CA GLY A 80 -3.931 8.070 6.998 1.00 0.53 C ATOM 1237 C GLY A 80 -3.058 6.833 6.791 1.00 1.14 C ATOM 1238 O GLY A 80 -1.878 6.947 6.459 1.00 23.32 O ATOM 0 H GLY A 80 -2.503 9.174 5.919 1.00 61.22 H new ATOM 0 HA2 GLY A 80 -3.961 8.311 8.061 1.00 0.53 H new ATOM 0 HA3 GLY A 80 -4.952 7.840 6.695 1.00 0.53 H new ATOM 1242 N GLU A 81 -3.638 5.649 6.994 1.00 44.52 N ATOM 1243 CA GLU A 81 -2.909 4.381 6.829 1.00 64.44 C ATOM 1244 C GLU A 81 -3.781 3.292 6.178 1.00 51.52 C ATOM 1245 O GLU A 81 -5.012 3.376 6.191 1.00 52.23 O ATOM 1246 CB GLU A 81 -2.388 3.876 8.184 1.00 52.44 C ATOM 1247 CG GLU A 81 -3.467 3.744 9.262 1.00 41.11 C ATOM 1248 CD GLU A 81 -3.037 2.863 10.428 1.00 54.14 C ATOM 1249 OE1 GLU A 81 -1.910 3.037 10.935 1.00 41.15 O ATOM 1250 OE2 GLU A 81 -3.810 1.960 10.820 1.00 42.10 O ATOM 0 H GLU A 81 -4.612 5.537 7.274 1.00 44.52 H new ATOM 0 HA GLU A 81 -2.069 4.584 6.165 1.00 64.44 H new ATOM 0 HB2 GLU A 81 -1.914 2.905 8.039 1.00 52.44 H new ATOM 0 HB3 GLU A 81 -1.616 4.558 8.540 1.00 52.44 H new ATOM 0 HG2 GLU A 81 -3.722 4.735 9.637 1.00 41.11 H new ATOM 0 HG3 GLU A 81 -4.371 3.330 8.815 1.00 41.11 H new ATOM 1257 N VAL A 82 -3.123 2.268 5.619 1.00 44.30 N ATOM 1258 CA VAL A 82 -3.817 1.129 4.994 1.00 32.25 C ATOM 1259 C VAL A 82 -2.885 -0.097 4.871 1.00 53.22 C ATOM 1260 O VAL A 82 -1.666 0.049 4.753 1.00 41.41 O ATOM 1261 CB VAL A 82 -4.359 1.502 3.587 1.00 40.34 C ATOM 1262 CG1 VAL A 82 -3.213 1.802 2.621 1.00 54.31 C ATOM 1263 CG2 VAL A 82 -5.274 0.402 3.037 1.00 62.24 C ATOM 0 H VAL A 82 -2.106 2.203 5.586 1.00 44.30 H new ATOM 0 HA VAL A 82 -4.655 0.875 5.643 1.00 32.25 H new ATOM 0 HB VAL A 82 -4.956 2.408 3.688 1.00 40.34 H new ATOM 0 HG11 VAL A 82 -3.620 2.060 1.643 1.00 54.31 H new ATOM 0 HG12 VAL A 82 -2.625 2.637 3.002 1.00 54.31 H new ATOM 0 HG13 VAL A 82 -2.576 0.923 2.528 1.00 54.31 H new ATOM 0 HG21 VAL A 82 -5.638 0.691 2.051 1.00 62.24 H new ATOM 0 HG22 VAL A 82 -4.715 -0.531 2.958 1.00 62.24 H new ATOM 0 HG23 VAL A 82 -6.120 0.262 3.710 1.00 62.24 H new ATOM 1273 N VAL A 83 -3.464 -1.301 4.910 1.00 33.43 N ATOM 1274 CA VAL A 83 -2.693 -2.550 4.759 1.00 24.20 C ATOM 1275 C VAL A 83 -2.998 -3.237 3.414 1.00 52.14 C ATOM 1276 O VAL A 83 -4.156 -3.552 3.119 1.00 13.02 O ATOM 1277 CB VAL A 83 -2.997 -3.554 5.901 1.00 63.22 C ATOM 1278 CG1 VAL A 83 -2.082 -4.775 5.805 1.00 64.22 C ATOM 1279 CG2 VAL A 83 -2.871 -2.885 7.265 1.00 24.13 C ATOM 0 H VAL A 83 -4.465 -1.443 5.045 1.00 33.43 H new ATOM 0 HA VAL A 83 -1.641 -2.267 4.798 1.00 24.20 H new ATOM 0 HB VAL A 83 -4.027 -3.892 5.789 1.00 63.22 H new ATOM 0 HG11 VAL A 83 -2.312 -5.467 6.615 1.00 64.22 H new ATOM 0 HG12 VAL A 83 -2.239 -5.273 4.848 1.00 64.22 H new ATOM 0 HG13 VAL A 83 -1.042 -4.457 5.883 1.00 64.22 H new ATOM 0 HG21 VAL A 83 -3.089 -3.611 8.048 1.00 24.13 H new ATOM 0 HG22 VAL A 83 -1.856 -2.508 7.393 1.00 24.13 H new ATOM 0 HG23 VAL A 83 -3.577 -2.057 7.331 1.00 24.13 H new ATOM 1289 N VAL A 84 -1.955 -3.479 2.615 1.00 1.33 N ATOM 1290 CA VAL A 84 -2.096 -4.122 1.295 1.00 12.32 C ATOM 1291 C VAL A 84 -1.054 -5.243 1.094 1.00 40.21 C ATOM 1292 O VAL A 84 -0.153 -5.420 1.913 1.00 12.11 O ATOM 1293 CB VAL A 84 -1.952 -3.088 0.144 1.00 14.24 C ATOM 1294 CG1 VAL A 84 -3.069 -2.045 0.194 1.00 11.33 C ATOM 1295 CG2 VAL A 84 -0.578 -2.418 0.186 1.00 3.21 C ATOM 0 H VAL A 84 -0.994 -3.239 2.858 1.00 1.33 H new ATOM 0 HA VAL A 84 -3.095 -4.556 1.267 1.00 12.32 H new ATOM 0 HB VAL A 84 -2.041 -3.624 -0.801 1.00 14.24 H new ATOM 0 HG11 VAL A 84 -2.941 -1.336 -0.624 1.00 11.33 H new ATOM 0 HG12 VAL A 84 -4.035 -2.541 0.096 1.00 11.33 H new ATOM 0 HG13 VAL A 84 -3.029 -1.514 1.145 1.00 11.33 H new ATOM 0 HG21 VAL A 84 -0.499 -1.698 -0.629 1.00 3.21 H new ATOM 0 HG22 VAL A 84 -0.453 -1.903 1.139 1.00 3.21 H new ATOM 0 HG23 VAL A 84 0.199 -3.175 0.078 1.00 3.21 H new ATOM 1305 N PHE A 85 -1.186 -6.004 0.002 1.00 75.31 N ATOM 1306 CA PHE A 85 -0.224 -7.072 -0.321 1.00 12.10 C ATOM 1307 C PHE A 85 1.092 -6.505 -0.882 1.00 60.52 C ATOM 1308 O PHE A 85 1.097 -5.519 -1.627 1.00 42.10 O ATOM 1309 CB PHE A 85 -0.822 -8.067 -1.329 1.00 3.22 C ATOM 1310 CG PHE A 85 -1.931 -8.930 -0.773 1.00 12.43 C ATOM 1311 CD1 PHE A 85 -1.653 -9.920 0.162 1.00 62.11 C ATOM 1312 CD2 PHE A 85 -3.245 -8.763 -1.191 1.00 73.21 C ATOM 1313 CE1 PHE A 85 -2.661 -10.718 0.668 1.00 51.42 C ATOM 1314 CE2 PHE A 85 -4.255 -9.559 -0.685 1.00 11.10 C ATOM 1315 CZ PHE A 85 -3.963 -10.538 0.243 1.00 60.23 C ATOM 0 H PHE A 85 -1.945 -5.904 -0.672 1.00 75.31 H new ATOM 0 HA PHE A 85 -0.006 -7.592 0.612 1.00 12.10 H new ATOM 0 HB2 PHE A 85 -1.205 -7.512 -2.185 1.00 3.22 H new ATOM 0 HB3 PHE A 85 -0.026 -8.713 -1.699 1.00 3.22 H new ATOM 0 HD1 PHE A 85 -0.637 -10.067 0.497 1.00 62.11 H new ATOM 0 HD2 PHE A 85 -3.480 -8.002 -1.920 1.00 73.21 H new ATOM 0 HE1 PHE A 85 -2.431 -11.482 1.396 1.00 51.42 H new ATOM 0 HE2 PHE A 85 -5.273 -9.415 -1.016 1.00 11.10 H new ATOM 0 HZ PHE A 85 -4.751 -11.163 0.636 1.00 60.23 H new ATOM 1325 N ALA A 86 2.202 -7.145 -0.527 1.00 53.55 N ATOM 1326 CA ALA A 86 3.530 -6.714 -0.980 1.00 63.22 C ATOM 1327 C ALA A 86 3.887 -7.276 -2.368 1.00 34.12 C ATOM 1328 O ALA A 86 3.798 -8.485 -2.605 1.00 20.43 O ATOM 1329 CB ALA A 86 4.582 -7.137 0.039 1.00 62.25 C ATOM 0 H ALA A 86 2.213 -7.968 0.076 1.00 53.55 H new ATOM 0 HA ALA A 86 3.510 -5.628 -1.068 1.00 63.22 H new ATOM 0 HB1 ALA A 86 5.567 -6.816 -0.300 1.00 62.25 H new ATOM 0 HB2 ALA A 86 4.362 -6.676 1.002 1.00 62.25 H new ATOM 0 HB3 ALA A 86 4.571 -8.222 0.145 1.00 62.25 H new ATOM 1335 N LYS A 87 4.297 -6.392 -3.279 1.00 32.31 N ATOM 1336 CA LYS A 87 4.795 -6.802 -4.603 1.00 33.51 C ATOM 1337 C LYS A 87 6.130 -6.148 -4.935 1.00 54.34 C ATOM 1338 O LYS A 87 6.496 -5.114 -4.383 1.00 75.12 O ATOM 1339 CB LYS A 87 3.795 -6.464 -5.718 1.00 3.44 C ATOM 1340 CG LYS A 87 2.546 -7.327 -5.757 1.00 51.31 C ATOM 1341 CD LYS A 87 1.803 -7.129 -7.075 1.00 73.33 C ATOM 1342 CE LYS A 87 0.533 -7.950 -7.136 1.00 71.20 C ATOM 1343 NZ LYS A 87 -0.095 -7.900 -8.483 1.00 22.35 N ATOM 0 H LYS A 87 4.296 -5.383 -3.128 1.00 32.31 H new ATOM 0 HA LYS A 87 4.927 -7.883 -4.550 1.00 33.51 H new ATOM 0 HB2 LYS A 87 3.493 -5.422 -5.608 1.00 3.44 H new ATOM 0 HB3 LYS A 87 4.305 -6.549 -6.678 1.00 3.44 H new ATOM 0 HG2 LYS A 87 2.817 -8.376 -5.639 1.00 51.31 H new ATOM 0 HG3 LYS A 87 1.893 -7.071 -4.922 1.00 51.31 H new ATOM 0 HD2 LYS A 87 1.559 -6.074 -7.199 1.00 73.33 H new ATOM 0 HD3 LYS A 87 2.454 -7.406 -7.904 1.00 73.33 H new ATOM 0 HE2 LYS A 87 0.757 -8.985 -6.878 1.00 71.20 H new ATOM 0 HE3 LYS A 87 -0.173 -7.582 -6.392 1.00 71.20 H new ATOM 0 HZ1 LYS A 87 -0.962 -8.475 -8.483 1.00 22.35 H new ATOM 0 HZ2 LYS A 87 -0.332 -6.915 -8.719 1.00 22.35 H new ATOM 0 HZ3 LYS A 87 0.569 -8.275 -9.190 1.00 22.35 H new ATOM 1357 N LYS A 88 6.852 -6.772 -5.853 1.00 1.21 N ATOM 1358 CA LYS A 88 8.112 -6.246 -6.342 1.00 41.03 C ATOM 1359 C LYS A 88 7.897 -5.581 -7.713 1.00 73.22 C ATOM 1360 O LYS A 88 7.769 -6.265 -8.732 1.00 1.13 O ATOM 1361 CB LYS A 88 9.133 -7.380 -6.442 1.00 22.22 C ATOM 1362 CG LYS A 88 10.558 -6.880 -6.508 1.00 42.11 C ATOM 1363 CD LYS A 88 11.564 -8.008 -6.720 1.00 45.40 C ATOM 1364 CE LYS A 88 11.564 -9.007 -5.567 1.00 55.10 C ATOM 1365 NZ LYS A 88 12.539 -10.104 -5.798 1.00 45.34 N ATOM 0 H LYS A 88 6.579 -7.658 -6.279 1.00 1.21 H new ATOM 0 HA LYS A 88 8.493 -5.495 -5.650 1.00 41.03 H new ATOM 0 HB2 LYS A 88 9.023 -8.039 -5.581 1.00 22.22 H new ATOM 0 HB3 LYS A 88 8.921 -7.977 -7.329 1.00 22.22 H new ATOM 0 HG2 LYS A 88 10.649 -6.159 -7.320 1.00 42.11 H new ATOM 0 HG3 LYS A 88 10.798 -6.353 -5.585 1.00 42.11 H new ATOM 0 HD2 LYS A 88 11.332 -8.529 -7.649 1.00 45.40 H new ATOM 0 HD3 LYS A 88 12.562 -7.585 -6.832 1.00 45.40 H new ATOM 0 HE2 LYS A 88 11.807 -8.492 -4.638 1.00 55.10 H new ATOM 0 HE3 LYS A 88 10.565 -9.426 -5.447 1.00 55.10 H new ATOM 0 HZ1 LYS A 88 12.689 -10.627 -4.912 1.00 45.34 H new ATOM 0 HZ2 LYS A 88 12.168 -10.751 -6.523 1.00 45.34 H new ATOM 0 HZ3 LYS A 88 13.443 -9.703 -6.121 1.00 45.34 H new ATOM 1379 N GLY A 89 7.845 -4.251 -7.730 1.00 14.53 N ATOM 1380 CA GLY A 89 7.452 -3.529 -8.938 1.00 32.23 C ATOM 1381 C GLY A 89 8.615 -2.968 -9.748 1.00 43.41 C ATOM 1382 O GLY A 89 9.779 -3.313 -9.525 1.00 71.50 O ATOM 0 H GLY A 89 8.067 -3.657 -6.931 1.00 14.53 H new ATOM 0 HA2 GLY A 89 6.873 -4.199 -9.574 1.00 32.23 H new ATOM 0 HA3 GLY A 89 6.793 -2.708 -8.657 1.00 32.23 H new ATOM 1386 N ASP A 90 8.289 -2.092 -10.696 1.00 0.30 N ATOM 1387 CA ASP A 90 9.277 -1.497 -11.604 1.00 21.25 C ATOM 1388 C ASP A 90 9.722 -0.102 -11.121 1.00 40.23 C ATOM 1389 O ASP A 90 10.424 0.618 -11.830 1.00 14.31 O ATOM 1390 CB ASP A 90 8.667 -1.393 -13.005 1.00 73.54 C ATOM 1391 CG ASP A 90 8.002 -2.689 -13.437 1.00 44.33 C ATOM 1392 OD1 ASP A 90 8.693 -3.571 -13.982 1.00 71.41 O ATOM 1393 OD2 ASP A 90 6.778 -2.839 -13.229 1.00 12.13 O ATOM 0 H ASP A 90 7.334 -1.772 -10.859 1.00 0.30 H new ATOM 0 HA ASP A 90 10.159 -2.137 -11.623 1.00 21.25 H new ATOM 0 HB2 ASP A 90 7.934 -0.587 -13.022 1.00 73.54 H new ATOM 0 HB3 ASP A 90 9.446 -1.130 -13.720 1.00 73.54 H new ATOM 1398 N VAL A 91 9.319 0.257 -9.908 1.00 21.35 N ATOM 1399 CA VAL A 91 9.598 1.583 -9.340 1.00 70.22 C ATOM 1400 C VAL A 91 11.036 1.680 -8.792 1.00 31.12 C ATOM 1401 O VAL A 91 11.672 0.659 -8.525 1.00 64.23 O ATOM 1402 CB VAL A 91 8.591 1.905 -8.205 1.00 1.33 C ATOM 1403 CG1 VAL A 91 7.162 1.953 -8.745 1.00 12.44 C ATOM 1404 CG2 VAL A 91 8.707 0.879 -7.079 1.00 33.23 C ATOM 0 H VAL A 91 8.791 -0.356 -9.287 1.00 21.35 H new ATOM 0 HA VAL A 91 9.491 2.310 -10.145 1.00 70.22 H new ATOM 0 HB VAL A 91 8.834 2.888 -7.802 1.00 1.33 H new ATOM 0 HG11 VAL A 91 6.473 2.180 -7.931 1.00 12.44 H new ATOM 0 HG12 VAL A 91 7.088 2.726 -9.510 1.00 12.44 H new ATOM 0 HG13 VAL A 91 6.904 0.987 -9.179 1.00 12.44 H new ATOM 0 HG21 VAL A 91 7.993 1.121 -6.292 1.00 33.23 H new ATOM 0 HG22 VAL A 91 8.493 -0.116 -7.470 1.00 33.23 H new ATOM 0 HG23 VAL A 91 9.718 0.899 -6.671 1.00 33.23 H new ATOM 1414 N PRO A 92 11.583 2.907 -8.650 1.00 1.20 N ATOM 1415 CA PRO A 92 12.903 3.121 -8.026 1.00 62.35 C ATOM 1416 C PRO A 92 12.863 2.986 -6.492 1.00 62.42 C ATOM 1417 O PRO A 92 11.789 2.918 -5.891 1.00 62.22 O ATOM 1418 CB PRO A 92 13.249 4.557 -8.443 1.00 41.23 C ATOM 1419 CG PRO A 92 11.927 5.231 -8.592 1.00 55.33 C ATOM 1420 CD PRO A 92 10.977 4.177 -9.108 1.00 63.43 C ATOM 0 HA PRO A 92 13.636 2.380 -8.344 1.00 62.35 H new ATOM 0 HB2 PRO A 92 13.864 5.051 -7.691 1.00 41.23 H new ATOM 0 HB3 PRO A 92 13.811 4.575 -9.377 1.00 41.23 H new ATOM 0 HG2 PRO A 92 11.584 5.632 -7.638 1.00 55.33 H new ATOM 0 HG3 PRO A 92 11.993 6.070 -9.285 1.00 55.33 H new ATOM 0 HD2 PRO A 92 9.973 4.310 -8.705 1.00 63.43 H new ATOM 0 HD3 PRO A 92 10.892 4.212 -10.194 1.00 63.43 H new ATOM 1428 N LYS A 93 14.035 2.950 -5.859 1.00 34.41 N ATOM 1429 CA LYS A 93 14.114 2.776 -4.404 1.00 44.22 C ATOM 1430 C LYS A 93 13.517 3.980 -3.657 1.00 74.34 C ATOM 1431 O LYS A 93 13.594 5.121 -4.132 1.00 2.23 O ATOM 1432 CB LYS A 93 15.562 2.555 -3.950 1.00 31.31 C ATOM 1433 CG LYS A 93 15.656 2.055 -2.515 1.00 3.31 C ATOM 1434 CD LYS A 93 17.084 2.021 -1.996 1.00 62.32 C ATOM 1435 CE LYS A 93 17.166 1.311 -0.649 1.00 74.54 C ATOM 1436 NZ LYS A 93 16.229 1.878 0.358 1.00 45.30 N ATOM 0 H LYS A 93 14.938 3.038 -6.324 1.00 34.41 H new ATOM 0 HA LYS A 93 13.527 1.891 -4.159 1.00 44.22 H new ATOM 0 HB2 LYS A 93 16.041 1.835 -4.614 1.00 31.31 H new ATOM 0 HB3 LYS A 93 16.114 3.490 -4.042 1.00 31.31 H new ATOM 0 HG2 LYS A 93 15.055 2.697 -1.871 1.00 3.31 H new ATOM 0 HG3 LYS A 93 15.228 1.054 -2.455 1.00 3.31 H new ATOM 0 HD2 LYS A 93 17.724 1.512 -2.717 1.00 62.32 H new ATOM 0 HD3 LYS A 93 17.462 3.039 -1.897 1.00 62.32 H new ATOM 0 HE2 LYS A 93 16.947 0.252 -0.787 1.00 74.54 H new ATOM 0 HE3 LYS A 93 18.185 1.379 -0.269 1.00 74.54 H new ATOM 0 HZ1 LYS A 93 16.442 1.478 1.294 1.00 45.30 H new ATOM 0 HZ2 LYS A 93 16.338 2.912 0.390 1.00 45.30 H new ATOM 0 HZ3 LYS A 93 15.251 1.641 0.095 1.00 45.30 H new ATOM 1450 N GLY A 94 12.947 3.724 -2.479 1.00 32.33 N ATOM 1451 CA GLY A 94 12.271 4.771 -1.722 1.00 60.15 C ATOM 1452 C GLY A 94 11.016 5.290 -2.420 1.00 44.15 C ATOM 1453 O GLY A 94 10.643 6.456 -2.270 1.00 61.34 O ATOM 0 H GLY A 94 12.941 2.807 -2.033 1.00 32.33 H new ATOM 0 HA2 GLY A 94 12.001 4.385 -0.739 1.00 60.15 H new ATOM 0 HA3 GLY A 94 12.961 5.600 -1.561 1.00 60.15 H new ATOM 1457 N MET A 95 10.361 4.421 -3.182 1.00 22.12 N ATOM 1458 CA MET A 95 9.175 4.795 -3.943 1.00 12.21 C ATOM 1459 C MET A 95 8.278 3.564 -4.175 1.00 45.21 C ATOM 1460 O MET A 95 8.773 2.483 -4.483 1.00 41.24 O ATOM 1461 CB MET A 95 9.629 5.403 -5.278 1.00 40.32 C ATOM 1462 CG MET A 95 8.601 6.294 -5.937 1.00 60.14 C ATOM 1463 SD MET A 95 9.259 7.124 -7.400 1.00 70.13 S ATOM 1464 CE MET A 95 7.975 8.325 -7.724 1.00 4.40 C ATOM 0 H MET A 95 10.635 3.444 -3.289 1.00 22.12 H new ATOM 0 HA MET A 95 8.589 5.528 -3.389 1.00 12.21 H new ATOM 0 HB2 MET A 95 10.539 5.980 -5.111 1.00 40.32 H new ATOM 0 HB3 MET A 95 9.885 4.595 -5.963 1.00 40.32 H new ATOM 0 HG2 MET A 95 7.733 5.698 -6.219 1.00 60.14 H new ATOM 0 HG3 MET A 95 8.257 7.041 -5.221 1.00 60.14 H new ATOM 0 HE1 MET A 95 7.511 8.111 -8.687 1.00 4.40 H new ATOM 0 HE2 MET A 95 7.221 8.273 -6.938 1.00 4.40 H new ATOM 0 HE3 MET A 95 8.409 9.325 -7.745 1.00 4.40 H new ATOM 1474 N ILE A 96 6.962 3.719 -4.013 1.00 52.32 N ATOM 1475 CA ILE A 96 6.028 2.598 -4.210 1.00 53.04 C ATOM 1476 C ILE A 96 4.803 3.008 -5.044 1.00 32.43 C ATOM 1477 O ILE A 96 4.242 4.094 -4.874 1.00 33.12 O ATOM 1478 CB ILE A 96 5.544 1.989 -2.864 1.00 73.40 C ATOM 1479 CG1 ILE A 96 4.802 3.038 -2.015 1.00 11.01 C ATOM 1480 CG2 ILE A 96 6.720 1.393 -2.087 1.00 4.24 C ATOM 1481 CD1 ILE A 96 4.218 2.482 -0.733 1.00 53.30 C ATOM 0 H ILE A 96 6.518 4.599 -3.749 1.00 52.32 H new ATOM 0 HA ILE A 96 6.592 1.840 -4.754 1.00 53.04 H new ATOM 0 HB ILE A 96 4.842 1.187 -3.091 1.00 73.40 H new ATOM 0 HG12 ILE A 96 5.491 3.847 -1.769 1.00 11.01 H new ATOM 0 HG13 ILE A 96 3.999 3.473 -2.611 1.00 11.01 H new ATOM 0 HG21 ILE A 96 6.360 0.972 -1.148 1.00 4.24 H new ATOM 0 HG22 ILE A 96 7.188 0.608 -2.681 1.00 4.24 H new ATOM 0 HG23 ILE A 96 7.451 2.174 -1.878 1.00 4.24 H new ATOM 0 HD11 ILE A 96 3.711 3.279 -0.189 1.00 53.30 H new ATOM 0 HD12 ILE A 96 3.504 1.693 -0.970 1.00 53.30 H new ATOM 0 HD13 ILE A 96 5.018 2.073 -0.116 1.00 53.30 H new ATOM 1493 N PHE A 97 4.398 2.123 -5.946 1.00 33.22 N ATOM 1494 CA PHE A 97 3.238 2.357 -6.810 1.00 22.24 C ATOM 1495 C PHE A 97 2.003 1.596 -6.300 1.00 53.33 C ATOM 1496 O PHE A 97 2.040 0.376 -6.143 1.00 55.12 O ATOM 1497 CB PHE A 97 3.566 1.918 -8.247 1.00 53.43 C ATOM 1498 CG PHE A 97 2.412 2.048 -9.214 1.00 24.12 C ATOM 1499 CD1 PHE A 97 2.192 3.233 -9.901 1.00 33.41 C ATOM 1500 CD2 PHE A 97 1.549 0.979 -9.438 1.00 74.54 C ATOM 1501 CE1 PHE A 97 1.139 3.348 -10.788 1.00 31.43 C ATOM 1502 CE2 PHE A 97 0.494 1.092 -10.324 1.00 22.40 C ATOM 1503 CZ PHE A 97 0.290 2.277 -11.000 1.00 70.13 C ATOM 0 H PHE A 97 4.858 1.226 -6.102 1.00 33.22 H new ATOM 0 HA PHE A 97 3.009 3.423 -6.795 1.00 22.24 H new ATOM 0 HB2 PHE A 97 4.402 2.513 -8.615 1.00 53.43 H new ATOM 0 HB3 PHE A 97 3.897 0.879 -8.231 1.00 53.43 H new ATOM 0 HD1 PHE A 97 2.850 4.074 -9.741 1.00 33.41 H new ATOM 0 HD2 PHE A 97 1.706 0.049 -8.912 1.00 74.54 H new ATOM 0 HE1 PHE A 97 0.979 4.276 -11.317 1.00 31.43 H new ATOM 0 HE2 PHE A 97 -0.169 0.255 -10.487 1.00 22.40 H new ATOM 0 HZ PHE A 97 -0.532 2.368 -11.694 1.00 70.13 H new ATOM 1513 N ILE A 98 0.913 2.312 -6.043 1.00 51.51 N ATOM 1514 CA ILE A 98 -0.350 1.679 -5.641 1.00 72.33 C ATOM 1515 C ILE A 98 -1.478 2.026 -6.632 1.00 41.22 C ATOM 1516 O ILE A 98 -1.698 3.196 -6.948 1.00 40.15 O ATOM 1517 CB ILE A 98 -0.771 2.101 -4.204 1.00 10.41 C ATOM 1518 CG1 ILE A 98 0.342 1.756 -3.199 1.00 61.44 C ATOM 1519 CG2 ILE A 98 -2.088 1.428 -3.801 1.00 61.34 C ATOM 1520 CD1 ILE A 98 -0.019 2.038 -1.754 1.00 73.31 C ATOM 0 H ILE A 98 0.873 3.329 -6.104 1.00 51.51 H new ATOM 0 HA ILE A 98 -0.184 0.602 -5.649 1.00 72.33 H new ATOM 0 HB ILE A 98 -0.927 3.180 -4.195 1.00 10.41 H new ATOM 0 HG12 ILE A 98 0.593 0.700 -3.300 1.00 61.44 H new ATOM 0 HG13 ILE A 98 1.237 2.323 -3.456 1.00 61.44 H new ATOM 0 HG21 ILE A 98 -2.362 1.739 -2.793 1.00 61.34 H new ATOM 0 HG22 ILE A 98 -2.874 1.721 -4.497 1.00 61.34 H new ATOM 0 HG23 ILE A 98 -1.966 0.345 -3.827 1.00 61.34 H new ATOM 0 HD11 ILE A 98 0.818 1.768 -1.110 1.00 73.31 H new ATOM 0 HD12 ILE A 98 -0.241 3.099 -1.635 1.00 73.31 H new ATOM 0 HD13 ILE A 98 -0.894 1.451 -1.476 1.00 73.31 H new ATOM 1532 N PRO A 99 -2.189 1.010 -7.161 1.00 4.34 N ATOM 1533 CA PRO A 99 -3.326 1.230 -8.070 1.00 33.32 C ATOM 1534 C PRO A 99 -4.427 2.109 -7.444 1.00 74.34 C ATOM 1535 O PRO A 99 -4.717 2.013 -6.248 1.00 70.41 O ATOM 1536 CB PRO A 99 -3.848 -0.191 -8.360 1.00 54.13 C ATOM 1537 CG PRO A 99 -3.244 -1.059 -7.306 1.00 32.42 C ATOM 1538 CD PRO A 99 -1.934 -0.422 -6.938 1.00 44.34 C ATOM 0 HA PRO A 99 -3.024 1.769 -8.968 1.00 33.32 H new ATOM 0 HB2 PRO A 99 -4.937 -0.225 -8.320 1.00 54.13 H new ATOM 0 HB3 PRO A 99 -3.555 -0.521 -9.356 1.00 54.13 H new ATOM 0 HG2 PRO A 99 -3.899 -1.131 -6.438 1.00 32.42 H new ATOM 0 HG3 PRO A 99 -3.093 -2.073 -7.676 1.00 32.42 H new ATOM 0 HD2 PRO A 99 -1.662 -0.627 -5.903 1.00 44.34 H new ATOM 0 HD3 PRO A 99 -1.118 -0.789 -7.561 1.00 44.34 H new ATOM 1546 N MET A 100 -5.032 2.969 -8.263 1.00 11.03 N ATOM 1547 CA MET A 100 -6.050 3.914 -7.794 1.00 15.21 C ATOM 1548 C MET A 100 -7.263 3.173 -7.204 1.00 71.03 C ATOM 1549 O MET A 100 -8.092 2.625 -7.938 1.00 50.14 O ATOM 1550 CB MET A 100 -6.496 4.823 -8.952 1.00 75.20 C ATOM 1551 CG MET A 100 -7.072 6.177 -8.531 1.00 13.24 C ATOM 1552 SD MET A 100 -8.379 6.063 -7.292 1.00 1.35 S ATOM 1553 CE MET A 100 -7.465 6.364 -5.778 1.00 41.44 C ATOM 0 H MET A 100 -4.834 3.032 -9.262 1.00 11.03 H new ATOM 0 HA MET A 100 -5.611 4.526 -7.006 1.00 15.21 H new ATOM 0 HB2 MET A 100 -5.642 4.997 -9.606 1.00 75.20 H new ATOM 0 HB3 MET A 100 -7.246 4.294 -9.540 1.00 75.20 H new ATOM 0 HG2 MET A 100 -6.266 6.797 -8.139 1.00 13.24 H new ATOM 0 HG3 MET A 100 -7.464 6.684 -9.413 1.00 13.24 H new ATOM 0 HE1 MET A 100 -8.131 6.253 -4.923 1.00 41.44 H new ATOM 0 HE2 MET A 100 -6.649 5.646 -5.697 1.00 41.44 H new ATOM 0 HE3 MET A 100 -7.059 7.375 -5.793 1.00 41.44 H new ATOM 1563 N GLY A 101 -7.348 3.149 -5.876 1.00 24.15 N ATOM 1564 CA GLY A 101 -8.462 2.481 -5.208 1.00 2.53 C ATOM 1565 C GLY A 101 -8.689 2.998 -3.794 1.00 3.11 C ATOM 1566 O GLY A 101 -7.967 3.887 -3.344 1.00 42.12 O ATOM 0 H GLY A 101 -6.668 3.578 -5.248 1.00 24.15 H new ATOM 0 HA2 GLY A 101 -9.370 2.623 -5.793 1.00 2.53 H new ATOM 0 HA3 GLY A 101 -8.270 1.409 -5.173 1.00 2.53 H new ATOM 1570 N PRO A 102 -9.671 2.444 -3.051 1.00 25.12 N ATOM 1571 CA PRO A 102 -9.975 2.894 -1.679 1.00 22.03 C ATOM 1572 C PRO A 102 -8.773 2.712 -0.743 1.00 60.21 C ATOM 1573 O PRO A 102 -8.565 3.490 0.184 1.00 33.04 O ATOM 1574 CB PRO A 102 -11.158 2.005 -1.253 1.00 2.41 C ATOM 1575 CG PRO A 102 -11.112 0.828 -2.172 1.00 2.25 C ATOM 1576 CD PRO A 102 -10.546 1.336 -3.473 1.00 11.11 C ATOM 0 HA PRO A 102 -10.210 3.957 -1.633 1.00 22.03 H new ATOM 0 HB2 PRO A 102 -11.064 1.696 -0.212 1.00 2.41 H new ATOM 0 HB3 PRO A 102 -12.104 2.538 -1.343 1.00 2.41 H new ATOM 0 HG2 PRO A 102 -10.489 0.035 -1.759 1.00 2.25 H new ATOM 0 HG3 PRO A 102 -12.107 0.408 -2.317 1.00 2.25 H new ATOM 0 HD2 PRO A 102 -9.989 0.561 -3.999 1.00 11.11 H new ATOM 0 HD3 PRO A 102 -11.331 1.678 -4.147 1.00 11.11 H new ATOM 1584 N TYR A 103 -7.974 1.684 -1.025 1.00 44.03 N ATOM 1585 CA TYR A 103 -6.736 1.420 -0.287 1.00 51.33 C ATOM 1586 C TYR A 103 -5.754 2.582 -0.463 1.00 71.51 C ATOM 1587 O TYR A 103 -5.267 3.156 0.510 1.00 53.14 O ATOM 1588 CB TYR A 103 -6.099 0.110 -0.777 1.00 1.30 C ATOM 1589 CG TYR A 103 -6.995 -1.105 -0.611 1.00 0.15 C ATOM 1590 CD1 TYR A 103 -8.187 -1.208 -1.320 1.00 1.20 C ATOM 1591 CD2 TYR A 103 -6.661 -2.139 0.259 1.00 53.02 C ATOM 1592 CE1 TYR A 103 -9.015 -2.299 -1.172 1.00 74.14 C ATOM 1593 CE2 TYR A 103 -7.485 -3.236 0.408 1.00 45.31 C ATOM 1594 CZ TYR A 103 -8.663 -3.308 -0.310 1.00 43.21 C ATOM 1595 OH TYR A 103 -9.486 -4.400 -0.173 1.00 15.03 O ATOM 0 H TYR A 103 -8.164 1.012 -1.768 1.00 44.03 H new ATOM 0 HA TYR A 103 -6.974 1.322 0.772 1.00 51.33 H new ATOM 0 HB2 TYR A 103 -5.837 0.216 -1.830 1.00 1.30 H new ATOM 0 HB3 TYR A 103 -5.170 -0.058 -0.232 1.00 1.30 H new ATOM 0 HD1 TYR A 103 -8.469 -0.417 -2.000 1.00 1.20 H new ATOM 0 HD2 TYR A 103 -5.743 -2.082 0.826 1.00 53.02 H new ATOM 0 HE1 TYR A 103 -9.937 -2.360 -1.731 1.00 74.14 H new ATOM 0 HE2 TYR A 103 -7.210 -4.034 1.082 1.00 45.31 H new ATOM 0 HH TYR A 103 -9.285 -4.857 0.670 1.00 15.03 H new ATOM 1605 N ALA A 104 -5.482 2.933 -1.719 1.00 21.43 N ATOM 1606 CA ALA A 104 -4.654 4.096 -2.031 1.00 50.53 C ATOM 1607 C ALA A 104 -5.259 5.371 -1.430 1.00 14.02 C ATOM 1608 O ALA A 104 -4.559 6.180 -0.838 1.00 31.12 O ATOM 1609 CB ALA A 104 -4.494 4.240 -3.541 1.00 43.13 C ATOM 0 H ALA A 104 -5.823 2.428 -2.537 1.00 21.43 H new ATOM 0 HA ALA A 104 -3.669 3.947 -1.588 1.00 50.53 H new ATOM 0 HB1 ALA A 104 -3.875 5.110 -3.760 1.00 43.13 H new ATOM 0 HB2 ALA A 104 -4.018 3.346 -3.943 1.00 43.13 H new ATOM 0 HB3 ALA A 104 -5.474 4.367 -4.000 1.00 43.13 H new ATOM 1615 N ASN A 105 -6.575 5.515 -1.566 1.00 72.11 N ATOM 1616 CA ASN A 105 -7.311 6.680 -1.052 1.00 34.51 C ATOM 1617 C ASN A 105 -7.053 6.916 0.453 1.00 55.14 C ATOM 1618 O ASN A 105 -7.143 8.046 0.935 1.00 54.44 O ATOM 1619 CB ASN A 105 -8.811 6.482 -1.326 1.00 62.35 C ATOM 1620 CG ASN A 105 -9.690 7.489 -0.611 1.00 54.31 C ATOM 1621 OD1 ASN A 105 -9.961 8.572 -1.117 1.00 2.15 O ATOM 1622 ND2 ASN A 105 -10.163 7.129 0.564 1.00 40.24 N ATOM 0 H ASN A 105 -7.167 4.830 -2.035 1.00 72.11 H new ATOM 0 HA ASN A 105 -6.954 7.570 -1.569 1.00 34.51 H new ATOM 0 HB2 ASN A 105 -8.989 6.552 -2.399 1.00 62.35 H new ATOM 0 HB3 ASN A 105 -9.099 5.476 -1.020 1.00 62.35 H new ATOM 0 HD21 ASN A 105 -10.775 7.759 1.082 1.00 40.24 H new ATOM 0 HD22 ASN A 105 -9.917 6.220 0.956 1.00 40.24 H new ATOM 1629 N MET A 106 -6.714 5.853 1.182 1.00 63.12 N ATOM 1630 CA MET A 106 -6.432 5.950 2.624 1.00 45.34 C ATOM 1631 C MET A 106 -5.161 6.768 2.914 1.00 33.35 C ATOM 1632 O MET A 106 -4.989 7.285 4.020 1.00 62.04 O ATOM 1633 CB MET A 106 -6.273 4.545 3.222 1.00 32.54 C ATOM 1634 CG MET A 106 -7.501 3.662 3.057 1.00 44.11 C ATOM 1635 SD MET A 106 -8.867 4.154 4.122 1.00 20.21 S ATOM 1636 CE MET A 106 -8.329 3.482 5.694 1.00 54.31 C ATOM 0 H MET A 106 -6.626 4.911 0.802 1.00 63.12 H new ATOM 0 HA MET A 106 -7.276 6.464 3.083 1.00 45.34 H new ATOM 0 HB2 MET A 106 -5.420 4.055 2.752 1.00 32.54 H new ATOM 0 HB3 MET A 106 -6.043 4.637 4.284 1.00 32.54 H new ATOM 0 HG2 MET A 106 -7.828 3.694 2.018 1.00 44.11 H new ATOM 0 HG3 MET A 106 -7.231 2.629 3.275 1.00 44.11 H new ATOM 0 HE1 MET A 106 -9.149 3.530 6.410 1.00 54.31 H new ATOM 0 HE2 MET A 106 -8.024 2.444 5.561 1.00 54.31 H new ATOM 0 HE3 MET A 106 -7.486 4.062 6.068 1.00 54.31 H new ATOM 1646 N VAL A 107 -4.277 6.889 1.918 1.00 3.21 N ATOM 1647 CA VAL A 107 -2.959 7.511 2.121 1.00 35.01 C ATOM 1648 C VAL A 107 -2.617 8.558 1.040 1.00 5.44 C ATOM 1649 O VAL A 107 -1.861 9.498 1.294 1.00 64.34 O ATOM 1650 CB VAL A 107 -1.834 6.439 2.157 1.00 14.23 C ATOM 1651 CG1 VAL A 107 -2.000 5.515 3.364 1.00 64.44 C ATOM 1652 CG2 VAL A 107 -1.807 5.631 0.859 1.00 3.43 C ATOM 0 H VAL A 107 -4.447 6.566 0.965 1.00 3.21 H new ATOM 0 HA VAL A 107 -3.018 8.022 3.082 1.00 35.01 H new ATOM 0 HB VAL A 107 -0.880 6.958 2.254 1.00 14.23 H new ATOM 0 HG11 VAL A 107 -1.201 4.774 3.367 1.00 64.44 H new ATOM 0 HG12 VAL A 107 -1.954 6.102 4.281 1.00 64.44 H new ATOM 0 HG13 VAL A 107 -2.964 5.009 3.305 1.00 64.44 H new ATOM 0 HG21 VAL A 107 -1.011 4.888 0.910 1.00 3.43 H new ATOM 0 HG22 VAL A 107 -2.765 5.129 0.723 1.00 3.43 H new ATOM 0 HG23 VAL A 107 -1.626 6.300 0.018 1.00 3.43 H new ATOM 1662 N ILE A 108 -3.173 8.400 -0.157 1.00 12.11 N ATOM 1663 CA ILE A 108 -2.859 9.298 -1.276 1.00 31.40 C ATOM 1664 C ILE A 108 -3.774 10.542 -1.271 1.00 31.10 C ATOM 1665 O ILE A 108 -4.751 10.609 -0.523 1.00 64.30 O ATOM 1666 CB ILE A 108 -2.961 8.560 -2.652 1.00 33.32 C ATOM 1667 CG1 ILE A 108 -4.424 8.342 -3.084 1.00 4.25 C ATOM 1668 CG2 ILE A 108 -2.225 7.223 -2.613 1.00 23.44 C ATOM 1669 CD1 ILE A 108 -4.928 9.389 -4.046 1.00 64.33 C ATOM 0 H ILE A 108 -3.841 7.663 -0.382 1.00 12.11 H new ATOM 0 HA ILE A 108 -1.828 9.626 -1.141 1.00 31.40 H new ATOM 0 HB ILE A 108 -2.485 9.205 -3.391 1.00 33.32 H new ATOM 0 HG12 ILE A 108 -4.515 7.360 -3.547 1.00 4.25 H new ATOM 0 HG13 ILE A 108 -5.059 8.337 -2.198 1.00 4.25 H new ATOM 0 HG21 ILE A 108 -2.312 6.731 -3.582 1.00 23.44 H new ATOM 0 HG22 ILE A 108 -1.173 7.393 -2.386 1.00 23.44 H new ATOM 0 HG23 ILE A 108 -2.664 6.588 -1.843 1.00 23.44 H new ATOM 0 HD11 ILE A 108 -5.964 9.174 -4.308 1.00 64.33 H new ATOM 0 HD12 ILE A 108 -4.869 10.372 -3.578 1.00 64.33 H new ATOM 0 HD13 ILE A 108 -4.316 9.379 -4.948 1.00 64.33 H new ATOM 1681 N ASP A 109 -3.448 11.519 -2.113 1.00 34.11 N ATOM 1682 CA ASP A 109 -4.236 12.757 -2.221 1.00 23.14 C ATOM 1683 C ASP A 109 -5.184 12.709 -3.439 1.00 21.44 C ATOM 1684 O ASP A 109 -4.733 12.636 -4.582 1.00 42.00 O ATOM 1685 CB ASP A 109 -3.292 13.968 -2.315 1.00 70.42 C ATOM 1686 CG ASP A 109 -4.019 15.274 -2.599 1.00 13.34 C ATOM 1687 OD1 ASP A 109 -5.068 15.534 -1.976 1.00 54.43 O ATOM 1688 OD2 ASP A 109 -3.547 16.040 -3.462 1.00 43.50 O ATOM 0 H ASP A 109 -2.641 11.483 -2.736 1.00 34.11 H new ATOM 0 HA ASP A 109 -4.852 12.855 -1.327 1.00 23.14 H new ATOM 0 HB2 ASP A 109 -2.739 14.063 -1.380 1.00 70.42 H new ATOM 0 HB3 ASP A 109 -2.559 13.789 -3.102 1.00 70.42 H new ATOM 1862 N GLY A 122 3.707 11.180 -6.548 1.00 60.44 N ATOM 1863 CA GLY A 122 2.929 10.501 -5.519 1.00 25.21 C ATOM 1864 C GLY A 122 3.057 11.164 -4.152 1.00 40.21 C ATOM 1865 O GLY A 122 3.921 12.020 -3.945 1.00 45.14 O ATOM 0 HA2 GLY A 122 1.880 10.485 -5.814 1.00 25.21 H new ATOM 0 HA3 GLY A 122 3.256 9.464 -5.447 1.00 25.21 H new ATOM 1869 N VAL A 123 2.200 10.770 -3.218 1.00 41.01 N ATOM 1870 CA VAL A 123 2.232 11.319 -1.852 1.00 14.50 C ATOM 1871 C VAL A 123 3.316 10.646 -0.983 1.00 30.25 C ATOM 1872 O VAL A 123 3.348 9.427 -0.854 1.00 4.23 O ATOM 1873 CB VAL A 123 0.857 11.156 -1.162 1.00 21.12 C ATOM 1874 CG1 VAL A 123 0.886 11.706 0.264 1.00 14.20 C ATOM 1875 CG2 VAL A 123 -0.238 11.833 -1.985 1.00 24.23 C ATOM 0 H VAL A 123 1.472 10.073 -3.373 1.00 41.01 H new ATOM 0 HA VAL A 123 2.473 12.378 -1.946 1.00 14.50 H new ATOM 0 HB VAL A 123 0.633 10.091 -1.101 1.00 21.12 H new ATOM 0 HG11 VAL A 123 -0.094 11.578 0.723 1.00 14.20 H new ATOM 0 HG12 VAL A 123 1.633 11.167 0.847 1.00 14.20 H new ATOM 0 HG13 VAL A 123 1.139 12.766 0.240 1.00 14.20 H new ATOM 0 HG21 VAL A 123 -1.199 11.709 -1.485 1.00 24.23 H new ATOM 0 HG22 VAL A 123 -0.015 12.895 -2.083 1.00 24.23 H new ATOM 0 HG23 VAL A 123 -0.283 11.379 -2.975 1.00 24.23 H new ATOM 1885 N LYS A 124 4.195 11.452 -0.381 1.00 52.43 N ATOM 1886 CA LYS A 124 5.253 10.925 0.504 1.00 10.12 C ATOM 1887 C LYS A 124 4.673 10.206 1.740 1.00 52.22 C ATOM 1888 O LYS A 124 3.635 10.600 2.274 1.00 11.31 O ATOM 1889 CB LYS A 124 6.190 12.058 0.968 1.00 51.05 C ATOM 1890 CG LYS A 124 7.372 12.337 0.038 1.00 13.42 C ATOM 1891 CD LYS A 124 6.941 12.853 -1.331 1.00 33.02 C ATOM 1892 CE LYS A 124 8.140 13.311 -2.156 1.00 75.11 C ATOM 1893 NZ LYS A 124 7.731 13.888 -3.464 1.00 23.42 N ATOM 0 H LYS A 124 4.201 12.467 -0.485 1.00 52.43 H new ATOM 0 HA LYS A 124 5.816 10.197 -0.080 1.00 10.12 H new ATOM 0 HB2 LYS A 124 5.606 12.972 1.074 1.00 51.05 H new ATOM 0 HB3 LYS A 124 6.575 11.809 1.957 1.00 51.05 H new ATOM 0 HG2 LYS A 124 8.031 13.069 0.506 1.00 13.42 H new ATOM 0 HG3 LYS A 124 7.951 11.422 -0.090 1.00 13.42 H new ATOM 0 HD2 LYS A 124 6.408 12.067 -1.866 1.00 33.02 H new ATOM 0 HD3 LYS A 124 6.245 13.683 -1.206 1.00 33.02 H new ATOM 0 HE2 LYS A 124 8.704 14.054 -1.593 1.00 75.11 H new ATOM 0 HE3 LYS A 124 8.807 12.466 -2.326 1.00 75.11 H new ATOM 0 HZ1 LYS A 124 8.342 14.698 -3.692 1.00 23.42 H new ATOM 0 HZ2 LYS A 124 7.823 13.165 -4.206 1.00 23.42 H new ATOM 0 HZ3 LYS A 124 6.742 14.204 -3.410 1.00 23.42 H new ATOM 1907 N GLY A 125 5.362 9.158 2.190 1.00 24.02 N ATOM 1908 CA GLY A 125 4.941 8.425 3.384 1.00 25.43 C ATOM 1909 C GLY A 125 5.945 7.352 3.808 1.00 42.33 C ATOM 1910 O GLY A 125 7.104 7.371 3.383 1.00 34.44 O ATOM 0 H GLY A 125 6.209 8.799 1.749 1.00 24.02 H new ATOM 0 HA2 GLY A 125 4.800 9.128 4.205 1.00 25.43 H new ATOM 0 HA3 GLY A 125 3.975 7.957 3.195 1.00 25.43 H new ATOM 1914 N THR A 126 5.506 6.423 4.655 1.00 35.02 N ATOM 1915 CA THR A 126 6.348 5.298 5.100 1.00 53.34 C ATOM 1916 C THR A 126 5.657 3.957 4.856 1.00 24.01 C ATOM 1917 O THR A 126 4.442 3.838 5.023 1.00 61.52 O ATOM 1918 CB THR A 126 6.690 5.382 6.611 1.00 11.53 C ATOM 1919 OG1 THR A 126 5.481 5.454 7.384 1.00 44.03 O ATOM 1920 CG2 THR A 126 7.576 6.588 6.920 1.00 61.15 C ATOM 0 H THR A 126 4.567 6.422 5.053 1.00 35.02 H new ATOM 0 HA THR A 126 7.265 5.367 4.515 1.00 53.34 H new ATOM 0 HB THR A 126 7.243 4.482 6.879 1.00 11.53 H new ATOM 0 HG1 THR A 126 5.681 5.818 8.271 1.00 44.03 H new ATOM 0 HG21 THR A 126 7.795 6.615 7.987 1.00 61.15 H new ATOM 0 HG22 THR A 126 8.508 6.508 6.360 1.00 61.15 H new ATOM 0 HG23 THR A 126 7.058 7.503 6.633 1.00 61.15 H new ATOM 1928 N VAL A 127 6.430 2.948 4.472 1.00 13.52 N ATOM 1929 CA VAL A 127 5.901 1.591 4.314 1.00 32.31 C ATOM 1930 C VAL A 127 6.808 0.569 5.012 1.00 34.40 C ATOM 1931 O VAL A 127 8.036 0.713 5.023 1.00 14.31 O ATOM 1932 CB VAL A 127 5.747 1.207 2.816 1.00 21.30 C ATOM 1933 CG1 VAL A 127 7.104 1.178 2.114 1.00 31.33 C ATOM 1934 CG2 VAL A 127 5.029 -0.135 2.669 1.00 11.40 C ATOM 0 H VAL A 127 7.424 3.040 4.264 1.00 13.52 H new ATOM 0 HA VAL A 127 4.915 1.576 4.778 1.00 32.31 H new ATOM 0 HB VAL A 127 5.137 1.972 2.335 1.00 21.30 H new ATOM 0 HG11 VAL A 127 6.966 0.907 1.067 1.00 31.33 H new ATOM 0 HG12 VAL A 127 7.567 2.163 2.176 1.00 31.33 H new ATOM 0 HG13 VAL A 127 7.748 0.444 2.598 1.00 31.33 H new ATOM 0 HG21 VAL A 127 4.933 -0.382 1.612 1.00 11.40 H new ATOM 0 HG22 VAL A 127 5.604 -0.912 3.173 1.00 11.40 H new ATOM 0 HG23 VAL A 127 4.038 -0.068 3.117 1.00 11.40 H new ATOM 1944 N GLU A 128 6.199 -0.451 5.606 1.00 12.43 N ATOM 1945 CA GLU A 128 6.949 -1.531 6.242 1.00 42.43 C ATOM 1946 C GLU A 128 6.058 -2.767 6.459 1.00 52.21 C ATOM 1947 O GLU A 128 4.845 -2.711 6.251 1.00 63.01 O ATOM 1948 CB GLU A 128 7.568 -1.030 7.564 1.00 42.40 C ATOM 1949 CG GLU A 128 6.586 -0.739 8.706 1.00 54.23 C ATOM 1950 CD GLU A 128 5.318 -0.007 8.291 1.00 4.45 C ATOM 1951 OE1 GLU A 128 5.333 1.241 8.219 1.00 54.42 O ATOM 1952 OE2 GLU A 128 4.280 -0.675 8.086 1.00 65.52 O ATOM 0 H GLU A 128 5.186 -0.554 5.661 1.00 12.43 H new ATOM 0 HA GLU A 128 7.761 -1.837 5.582 1.00 42.43 H new ATOM 0 HB2 GLU A 128 8.285 -1.775 7.910 1.00 42.40 H new ATOM 0 HB3 GLU A 128 8.130 -0.120 7.355 1.00 42.40 H new ATOM 0 HG2 GLU A 128 6.306 -1.683 9.174 1.00 54.23 H new ATOM 0 HG3 GLU A 128 7.098 -0.147 9.464 1.00 54.23 H new ATOM 1959 N LYS A 129 6.660 -3.893 6.834 1.00 12.45 N ATOM 1960 CA LYS A 129 5.891 -5.117 7.095 1.00 71.21 C ATOM 1961 C LYS A 129 5.051 -4.974 8.377 1.00 61.41 C ATOM 1962 O LYS A 129 5.508 -4.400 9.367 1.00 63.13 O ATOM 1963 CB LYS A 129 6.826 -6.328 7.213 1.00 51.02 C ATOM 1964 CG LYS A 129 6.090 -7.652 7.411 1.00 61.02 C ATOM 1965 CD LYS A 129 7.051 -8.807 7.669 1.00 53.01 C ATOM 1966 CE LYS A 129 7.914 -9.137 6.456 1.00 64.31 C ATOM 1967 NZ LYS A 129 7.103 -9.655 5.324 1.00 42.14 N ATOM 0 H LYS A 129 7.667 -3.988 6.964 1.00 12.45 H new ATOM 0 HA LYS A 129 5.216 -5.274 6.254 1.00 71.21 H new ATOM 0 HB2 LYS A 129 7.438 -6.393 6.313 1.00 51.02 H new ATOM 0 HB3 LYS A 129 7.506 -6.171 8.050 1.00 51.02 H new ATOM 0 HG2 LYS A 129 5.399 -7.561 8.249 1.00 61.02 H new ATOM 0 HG3 LYS A 129 5.491 -7.869 6.527 1.00 61.02 H new ATOM 0 HD2 LYS A 129 7.696 -8.556 8.511 1.00 53.01 H new ATOM 0 HD3 LYS A 129 6.481 -9.691 7.956 1.00 53.01 H new ATOM 0 HE2 LYS A 129 8.451 -8.243 6.139 1.00 64.31 H new ATOM 0 HE3 LYS A 129 8.664 -9.878 6.734 1.00 64.31 H new ATOM 0 HZ1 LYS A 129 7.725 -10.131 4.640 1.00 42.14 H new ATOM 0 HZ2 LYS A 129 6.400 -10.333 5.682 1.00 42.14 H new ATOM 0 HZ3 LYS A 129 6.615 -8.865 4.856 1.00 42.14 H new ATOM 1981 N THR A 130 3.830 -5.507 8.362 1.00 74.43 N ATOM 1982 CA THR A 130 2.926 -5.380 9.517 1.00 71.41 C ATOM 1983 C THR A 130 2.286 -6.717 9.900 1.00 52.40 C ATOM 1984 O THR A 130 2.259 -7.665 9.111 1.00 35.31 O ATOM 1985 CB THR A 130 1.802 -4.341 9.265 1.00 40.42 C ATOM 1986 OG1 THR A 130 1.005 -4.183 10.449 1.00 51.21 O ATOM 1987 CG2 THR A 130 0.904 -4.752 8.102 1.00 54.11 C ATOM 0 H THR A 130 3.442 -6.026 7.575 1.00 74.43 H new ATOM 0 HA THR A 130 3.551 -5.037 10.341 1.00 71.41 H new ATOM 0 HB THR A 130 2.280 -3.395 9.009 1.00 40.42 H new ATOM 0 HG1 THR A 130 0.138 -3.793 10.210 1.00 51.21 H new ATOM 0 HG21 THR A 130 0.129 -3.999 7.957 1.00 54.11 H new ATOM 0 HG22 THR A 130 1.501 -4.838 7.194 1.00 54.11 H new ATOM 0 HG23 THR A 130 0.439 -5.713 8.323 1.00 54.11 H new ATOM 1995 N ASP A 131 1.778 -6.781 11.126 1.00 73.22 N ATOM 1996 CA ASP A 131 1.113 -7.978 11.644 1.00 52.12 C ATOM 1997 C ASP A 131 -0.357 -8.032 11.197 1.00 13.44 C ATOM 1998 O ASP A 131 -0.999 -9.087 11.241 1.00 30.21 O ATOM 1999 CB ASP A 131 1.198 -7.976 13.172 1.00 13.32 C ATOM 2000 CG ASP A 131 2.618 -7.763 13.660 1.00 34.12 C ATOM 2001 OD1 ASP A 131 3.080 -6.600 13.672 1.00 14.04 O ATOM 2002 OD2 ASP A 131 3.284 -8.750 14.030 1.00 14.11 O ATOM 0 H ASP A 131 1.814 -6.008 11.790 1.00 73.22 H new ATOM 0 HA ASP A 131 1.615 -8.860 11.246 1.00 52.12 H new ATOM 0 HB2 ASP A 131 0.556 -7.190 13.570 1.00 13.32 H new ATOM 0 HB3 ASP A 131 0.820 -8.923 13.558 1.00 13.32 H new ATOM 2007 N GLU A 132 -0.883 -6.884 10.771 1.00 41.34 N ATOM 2008 CA GLU A 132 -2.273 -6.785 10.310 1.00 12.22 C ATOM 2009 C GLU A 132 -2.502 -7.506 8.975 1.00 75.24 C ATOM 2010 O GLU A 132 -1.594 -7.649 8.155 1.00 75.30 O ATOM 2011 CB GLU A 132 -2.693 -5.315 10.160 1.00 31.33 C ATOM 2012 CG GLU A 132 -3.049 -4.626 11.471 1.00 64.04 C ATOM 2013 CD GLU A 132 -4.273 -5.232 12.145 1.00 52.02 C ATOM 2014 OE1 GLU A 132 -5.372 -5.191 11.548 1.00 31.21 O ATOM 2015 OE2 GLU A 132 -4.145 -5.737 13.280 1.00 12.31 O ATOM 0 H GLU A 132 -0.367 -6.005 10.735 1.00 41.34 H new ATOM 0 HA GLU A 132 -2.883 -7.273 11.070 1.00 12.22 H new ATOM 0 HB2 GLU A 132 -1.882 -4.765 9.683 1.00 31.33 H new ATOM 0 HB3 GLU A 132 -3.552 -5.261 9.491 1.00 31.33 H new ATOM 0 HG2 GLU A 132 -2.199 -4.687 12.150 1.00 64.04 H new ATOM 0 HG3 GLU A 132 -3.231 -3.568 11.282 1.00 64.04 H new ATOM 2022 N LYS A 133 -3.734 -7.952 8.778 1.00 4.31 N ATOM 2023 CA LYS A 133 -4.163 -8.536 7.504 1.00 54.55 C ATOM 2024 C LYS A 133 -4.472 -7.436 6.480 1.00 31.42 C ATOM 2025 O LYS A 133 -4.712 -6.285 6.849 1.00 15.01 O ATOM 2026 CB LYS A 133 -5.417 -9.411 7.702 1.00 54.14 C ATOM 2027 CG LYS A 133 -6.705 -8.627 7.990 1.00 22.21 C ATOM 2028 CD LYS A 133 -6.666 -7.917 9.343 1.00 12.23 C ATOM 2029 CE LYS A 133 -7.885 -7.029 9.567 1.00 30.44 C ATOM 2030 NZ LYS A 133 -7.837 -6.356 10.894 1.00 44.24 N ATOM 0 H LYS A 133 -4.465 -7.922 9.489 1.00 4.31 H new ATOM 0 HA LYS A 133 -3.347 -9.155 7.131 1.00 54.55 H new ATOM 0 HB2 LYS A 133 -5.567 -10.015 6.807 1.00 54.14 H new ATOM 0 HB3 LYS A 133 -5.236 -10.101 8.526 1.00 54.14 H new ATOM 0 HG2 LYS A 133 -6.863 -7.891 7.201 1.00 22.21 H new ATOM 0 HG3 LYS A 133 -7.555 -9.309 7.965 1.00 22.21 H new ATOM 0 HD2 LYS A 133 -6.609 -8.660 10.139 1.00 12.23 H new ATOM 0 HD3 LYS A 133 -5.762 -7.312 9.407 1.00 12.23 H new ATOM 0 HE2 LYS A 133 -7.938 -6.278 8.779 1.00 30.44 H new ATOM 0 HE3 LYS A 133 -8.792 -7.630 9.496 1.00 30.44 H new ATOM 0 HZ1 LYS A 133 -8.627 -5.684 10.971 1.00 44.24 H new ATOM 0 HZ2 LYS A 133 -7.914 -7.069 11.648 1.00 44.24 H new ATOM 0 HZ3 LYS A 133 -6.937 -5.845 10.992 1.00 44.24 H new ATOM 2044 N VAL A 134 -4.479 -7.788 5.198 1.00 32.33 N ATOM 2045 CA VAL A 134 -4.880 -6.842 4.154 1.00 2.35 C ATOM 2046 C VAL A 134 -6.364 -6.484 4.294 1.00 24.40 C ATOM 2047 O VAL A 134 -7.221 -7.372 4.353 1.00 34.34 O ATOM 2048 CB VAL A 134 -4.613 -7.409 2.739 1.00 74.10 C ATOM 2049 CG1 VAL A 134 -5.111 -6.453 1.654 1.00 41.43 C ATOM 2050 CG2 VAL A 134 -3.127 -7.699 2.561 1.00 31.02 C ATOM 0 H VAL A 134 -4.215 -8.712 4.856 1.00 32.33 H new ATOM 0 HA VAL A 134 -4.277 -5.943 4.281 1.00 2.35 H new ATOM 0 HB VAL A 134 -5.168 -8.342 2.636 1.00 74.10 H new ATOM 0 HG11 VAL A 134 -4.909 -6.880 0.672 1.00 41.43 H new ATOM 0 HG12 VAL A 134 -6.184 -6.299 1.769 1.00 41.43 H new ATOM 0 HG13 VAL A 134 -4.596 -5.497 1.747 1.00 41.43 H new ATOM 0 HG21 VAL A 134 -2.951 -8.097 1.562 1.00 31.02 H new ATOM 0 HG22 VAL A 134 -2.559 -6.778 2.690 1.00 31.02 H new ATOM 0 HG23 VAL A 134 -2.807 -8.429 3.304 1.00 31.02 H new ATOM 2060 N LEU A 135 -6.657 -5.186 4.358 1.00 31.43 N ATOM 2061 CA LEU A 135 -8.032 -4.716 4.568 1.00 44.52 C ATOM 2062 C LEU A 135 -8.996 -5.264 3.510 1.00 24.24 C ATOM 2063 O LEU A 135 -8.716 -5.221 2.313 1.00 44.05 O ATOM 2064 CB LEU A 135 -8.089 -3.176 4.579 1.00 12.34 C ATOM 2065 CG LEU A 135 -8.091 -2.530 5.976 1.00 52.44 C ATOM 2066 CD1 LEU A 135 -8.121 -1.007 5.876 1.00 31.12 C ATOM 2067 CD2 LEU A 135 -9.276 -3.036 6.796 1.00 32.13 C ATOM 0 H LEU A 135 -5.966 -4.441 4.268 1.00 31.43 H new ATOM 0 HA LEU A 135 -8.350 -5.094 5.540 1.00 44.52 H new ATOM 0 HB2 LEU A 135 -7.235 -2.793 4.020 1.00 12.34 H new ATOM 0 HB3 LEU A 135 -8.986 -2.858 4.048 1.00 12.34 H new ATOM 0 HG LEU A 135 -7.169 -2.816 6.482 1.00 52.44 H new ATOM 0 HD11 LEU A 135 -8.122 -0.577 6.877 1.00 31.12 H new ATOM 0 HD12 LEU A 135 -7.242 -0.661 5.333 1.00 31.12 H new ATOM 0 HD13 LEU A 135 -9.021 -0.695 5.346 1.00 31.12 H new ATOM 0 HD21 LEU A 135 -9.263 -2.569 7.781 1.00 32.13 H new ATOM 0 HD22 LEU A 135 -10.206 -2.782 6.287 1.00 32.13 H new ATOM 0 HD23 LEU A 135 -9.207 -4.118 6.906 1.00 32.13 H new ATOM 2079 N SER A 136 -10.127 -5.789 3.964 1.00 52.42 N ATOM 2080 CA SER A 136 -11.186 -6.229 3.053 1.00 23.31 C ATOM 2081 C SER A 136 -11.873 -5.006 2.429 1.00 64.33 C ATOM 2082 O SER A 136 -12.089 -4.007 3.112 1.00 53.05 O ATOM 2083 CB SER A 136 -12.216 -7.085 3.804 1.00 15.21 C ATOM 2084 OG SER A 136 -11.583 -8.106 4.567 1.00 23.20 O ATOM 0 H SER A 136 -10.338 -5.922 4.953 1.00 52.42 H new ATOM 0 HA SER A 136 -10.743 -6.834 2.262 1.00 23.31 H new ATOM 0 HB2 SER A 136 -12.808 -6.450 4.463 1.00 15.21 H new ATOM 0 HB3 SER A 136 -12.906 -7.536 3.091 1.00 15.21 H new ATOM 0 HG SER A 136 -11.181 -7.713 5.370 1.00 23.20 H new ATOM 2090 N VAL A 137 -12.212 -5.083 1.142 1.00 54.33 N ATOM 2091 CA VAL A 137 -12.793 -3.940 0.411 1.00 50.24 C ATOM 2092 C VAL A 137 -13.923 -3.246 1.200 1.00 23.02 C ATOM 2093 O VAL A 137 -13.920 -2.025 1.364 1.00 51.01 O ATOM 2094 CB VAL A 137 -13.326 -4.383 -0.977 1.00 32.45 C ATOM 2095 CG1 VAL A 137 -13.976 -3.214 -1.715 1.00 71.31 C ATOM 2096 CG2 VAL A 137 -12.197 -4.983 -1.813 1.00 14.10 C ATOM 0 H VAL A 137 -12.097 -5.924 0.577 1.00 54.33 H new ATOM 0 HA VAL A 137 -11.987 -3.219 0.279 1.00 50.24 H new ATOM 0 HB VAL A 137 -14.088 -5.146 -0.820 1.00 32.45 H new ATOM 0 HG11 VAL A 137 -14.341 -3.553 -2.685 1.00 71.31 H new ATOM 0 HG12 VAL A 137 -14.810 -2.831 -1.127 1.00 71.31 H new ATOM 0 HG13 VAL A 137 -13.241 -2.422 -1.860 1.00 71.31 H new ATOM 0 HG21 VAL A 137 -12.586 -5.289 -2.784 1.00 14.10 H new ATOM 0 HG22 VAL A 137 -11.414 -4.238 -1.955 1.00 14.10 H new ATOM 0 HG23 VAL A 137 -11.784 -5.850 -1.298 1.00 14.10 H new ATOM 2106 N LYS A 138 -14.869 -4.034 1.701 1.00 3.52 N ATOM 2107 CA LYS A 138 -15.991 -3.503 2.494 1.00 63.34 C ATOM 2108 C LYS A 138 -15.524 -3.041 3.884 1.00 4.33 C ATOM 2109 O LYS A 138 -15.927 -1.983 4.368 1.00 60.43 O ATOM 2110 CB LYS A 138 -17.078 -4.576 2.643 1.00 43.15 C ATOM 2111 CG LYS A 138 -18.306 -4.116 3.427 1.00 43.31 C ATOM 2112 CD LYS A 138 -19.265 -5.270 3.712 1.00 32.14 C ATOM 2113 CE LYS A 138 -19.758 -5.935 2.432 1.00 1.32 C ATOM 2114 NZ LYS A 138 -20.592 -7.131 2.717 1.00 73.35 N ATOM 0 H LYS A 138 -14.888 -5.046 1.576 1.00 3.52 H new ATOM 0 HA LYS A 138 -16.397 -2.639 1.967 1.00 63.34 H new ATOM 0 HB2 LYS A 138 -17.394 -4.898 1.651 1.00 43.15 H new ATOM 0 HB3 LYS A 138 -16.649 -5.446 3.139 1.00 43.15 H new ATOM 0 HG2 LYS A 138 -17.989 -3.667 4.368 1.00 43.31 H new ATOM 0 HG3 LYS A 138 -18.827 -3.342 2.864 1.00 43.31 H new ATOM 0 HD2 LYS A 138 -18.765 -6.011 4.336 1.00 32.14 H new ATOM 0 HD3 LYS A 138 -20.119 -4.900 4.280 1.00 32.14 H new ATOM 0 HE2 LYS A 138 -20.337 -5.218 1.850 1.00 1.32 H new ATOM 0 HE3 LYS A 138 -18.903 -6.225 1.821 1.00 1.32 H new ATOM 0 HZ1 LYS A 138 -20.908 -7.555 1.822 1.00 73.35 H new ATOM 0 HZ2 LYS A 138 -20.032 -7.826 3.251 1.00 73.35 H new ATOM 0 HZ3 LYS A 138 -21.421 -6.850 3.279 1.00 73.35 H new ATOM 2128 N GLU A 139 -14.664 -3.842 4.508 1.00 1.02 N ATOM 2129 CA GLU A 139 -14.101 -3.529 5.827 1.00 25.41 C ATOM 2130 C GLU A 139 -13.404 -2.157 5.806 1.00 22.43 C ATOM 2131 O GLU A 139 -13.431 -1.403 6.779 1.00 54.25 O ATOM 2132 CB GLU A 139 -13.119 -4.647 6.203 1.00 72.00 C ATOM 2133 CG GLU A 139 -12.366 -4.454 7.510 1.00 20.24 C ATOM 2134 CD GLU A 139 -11.493 -5.660 7.844 1.00 71.44 C ATOM 2135 OE1 GLU A 139 -10.668 -6.055 6.989 1.00 1.31 O ATOM 2136 OE2 GLU A 139 -11.631 -6.218 8.957 1.00 3.13 O ATOM 0 H GLU A 139 -14.336 -4.725 4.118 1.00 1.02 H new ATOM 0 HA GLU A 139 -14.894 -3.473 6.573 1.00 25.41 H new ATOM 0 HB2 GLU A 139 -13.670 -5.586 6.258 1.00 72.00 H new ATOM 0 HB3 GLU A 139 -12.391 -4.752 5.398 1.00 72.00 H new ATOM 0 HG2 GLU A 139 -11.743 -3.562 7.442 1.00 20.24 H new ATOM 0 HG3 GLU A 139 -13.078 -4.285 8.318 1.00 20.24 H new ATOM 2143 N LEU A 140 -12.798 -1.847 4.666 1.00 0.22 N ATOM 2144 CA LEU A 140 -12.181 -0.553 4.419 1.00 75.43 C ATOM 2145 C LEU A 140 -13.244 0.563 4.382 1.00 61.53 C ATOM 2146 O LEU A 140 -13.049 1.641 4.949 1.00 14.32 O ATOM 2147 CB LEU A 140 -11.416 -0.629 3.094 1.00 60.52 C ATOM 2148 CG LEU A 140 -10.216 0.312 2.972 1.00 53.24 C ATOM 2149 CD1 LEU A 140 -9.242 -0.213 1.932 1.00 62.50 C ATOM 2150 CD2 LEU A 140 -10.657 1.729 2.621 1.00 33.41 C ATOM 0 H LEU A 140 -12.721 -2.494 3.881 1.00 0.22 H new ATOM 0 HA LEU A 140 -11.491 -0.311 5.227 1.00 75.43 H new ATOM 0 HB2 LEU A 140 -11.069 -1.653 2.953 1.00 60.52 H new ATOM 0 HB3 LEU A 140 -12.109 -0.413 2.281 1.00 60.52 H new ATOM 0 HG LEU A 140 -9.715 0.349 3.940 1.00 53.24 H new ATOM 0 HD11 LEU A 140 -8.392 0.465 1.854 1.00 62.50 H new ATOM 0 HD12 LEU A 140 -8.891 -1.202 2.228 1.00 62.50 H new ATOM 0 HD13 LEU A 140 -9.742 -0.280 0.966 1.00 62.50 H new ATOM 0 HD21 LEU A 140 -9.781 2.373 2.541 1.00 33.41 H new ATOM 0 HD22 LEU A 140 -11.188 1.719 1.669 1.00 33.41 H new ATOM 0 HD23 LEU A 140 -11.317 2.108 3.401 1.00 33.41 H new ATOM 2162 N LEU A 141 -14.375 0.286 3.723 1.00 2.12 N ATOM 2163 CA LEU A 141 -15.499 1.235 3.660 1.00 35.13 C ATOM 2164 C LEU A 141 -16.014 1.557 5.069 1.00 20.41 C ATOM 2165 O LEU A 141 -16.421 2.681 5.361 1.00 62.01 O ATOM 2166 CB LEU A 141 -16.653 0.660 2.820 1.00 12.05 C ATOM 2167 CG LEU A 141 -16.261 0.083 1.449 1.00 35.21 C ATOM 2168 CD1 LEU A 141 -17.497 -0.368 0.675 1.00 73.14 C ATOM 2169 CD2 LEU A 141 -15.446 1.085 0.640 1.00 14.22 C ATOM 0 H LEU A 141 -14.539 -0.588 3.224 1.00 2.12 H new ATOM 0 HA LEU A 141 -15.135 2.149 3.191 1.00 35.13 H new ATOM 0 HB2 LEU A 141 -17.141 -0.125 3.397 1.00 12.05 H new ATOM 0 HB3 LEU A 141 -17.391 1.447 2.664 1.00 12.05 H new ATOM 0 HG LEU A 141 -15.633 -0.791 1.623 1.00 35.21 H new ATOM 0 HD11 LEU A 141 -17.194 -0.772 -0.291 1.00 73.14 H new ATOM 0 HD12 LEU A 141 -18.021 -1.137 1.242 1.00 73.14 H new ATOM 0 HD13 LEU A 141 -18.160 0.483 0.520 1.00 73.14 H new ATOM 0 HD21 LEU A 141 -15.184 0.648 -0.324 1.00 14.22 H new ATOM 0 HD22 LEU A 141 -16.035 1.988 0.481 1.00 14.22 H new ATOM 0 HD23 LEU A 141 -14.535 1.337 1.184 1.00 14.22 H new