USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 753 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 17 LYS NZ :NH3+ -165:sc= 1.23 (180deg=-0.0661) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.0534 K(o=1.3,f=-8.2!) USER MOD Set 2.1: A 48 ASN : amide:sc= -4.05! K(o=-4.6!,f=0.15) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -113:sc= -0.515 (180deg=-0.087) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 0:sc= 0.429 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0661 K(o=-0.066,f=-0.77) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.502 USER MOD Single : A 26 THR OG1 : rot -74:sc= 1.2 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 162:sc= -1.16 USER MOD Single : A 36 THR OG1 : rot -87:sc= 0.233 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 70:sc= -1.24 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= -0.437 (180deg=-1.79!) USER MOD Single : A 46 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.65) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -80:sc= -2.07! USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -0.0359 (180deg=-0.28) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 66 ASN : amide:sc= -0.884 X(o=-0.88,f=-0.46) USER MOD Single : A 68 GLN : amide:sc= -0.379 K(o=-0.38,f=-1.3) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -0.382 K(o=-0.38,f=-1.4) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= -0.156 (180deg=-0.876) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 22:sc= 0.29 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.801 4.919 29.940 1.00 0.00 N ATOM 2 CA GLY A 1 28.041 5.801 30.807 1.00 0.00 C ATOM 3 C GLY A 1 27.890 7.194 30.228 1.00 0.00 C ATOM 4 O GLY A 1 28.146 8.187 30.909 1.00 0.00 O ATOM 0 H1 GLY A 1 28.876 3.980 30.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.319 4.834 29.023 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.754 5.311 29.795 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.053 5.373 30.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.534 5.865 31.777 1.00 0.00 H new ATOM 8 N SER A 2 27.474 7.267 28.968 1.00 0.00 N ATOM 9 CA SER A 2 27.294 8.549 28.296 1.00 0.00 C ATOM 10 C SER A 2 25.913 8.637 27.653 1.00 0.00 C ATOM 11 O SER A 2 25.625 7.942 26.678 1.00 0.00 O ATOM 12 CB SER A 2 28.377 8.748 27.234 1.00 0.00 C ATOM 13 OG SER A 2 29.652 8.913 27.830 1.00 0.00 O ATOM 0 H SER A 2 27.255 6.454 28.392 1.00 0.00 H new ATOM 0 HA SER A 2 27.378 9.338 29.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.394 7.889 26.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.140 9.622 26.628 1.00 0.00 H new ATOM 0 HG SER A 2 30.327 9.037 27.130 1.00 0.00 H new ATOM 19 N SER A 3 25.063 9.496 28.206 1.00 0.00 N ATOM 20 CA SER A 3 23.711 9.673 27.690 1.00 0.00 C ATOM 21 C SER A 3 23.699 9.616 26.166 1.00 0.00 C ATOM 22 O SER A 3 24.559 10.198 25.505 1.00 0.00 O ATOM 23 CB SER A 3 23.131 11.006 28.167 1.00 0.00 C ATOM 24 OG SER A 3 23.994 12.082 27.843 1.00 0.00 O ATOM 0 H SER A 3 25.287 10.080 29.012 1.00 0.00 H new ATOM 0 HA SER A 3 23.094 8.859 28.071 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.156 11.167 27.708 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.974 10.973 29.245 1.00 0.00 H new ATOM 0 HG SER A 3 23.600 12.923 28.157 1.00 0.00 H new ATOM 30 N GLY A 4 22.718 8.910 25.613 1.00 0.00 N ATOM 31 CA GLY A 4 22.611 8.789 24.171 1.00 0.00 C ATOM 32 C GLY A 4 21.543 7.800 23.749 1.00 0.00 C ATOM 33 O GLY A 4 21.425 6.720 24.327 1.00 0.00 O ATOM 0 H GLY A 4 21.995 8.419 26.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.386 9.766 23.743 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.572 8.476 23.764 1.00 0.00 H new ATOM 37 N SER A 5 20.762 8.171 22.739 1.00 0.00 N ATOM 38 CA SER A 5 19.694 7.310 22.244 1.00 0.00 C ATOM 39 C SER A 5 19.358 7.641 20.793 1.00 0.00 C ATOM 40 O SER A 5 19.381 8.804 20.389 1.00 0.00 O ATOM 41 CB SER A 5 18.445 7.458 23.115 1.00 0.00 C ATOM 42 OG SER A 5 18.698 7.040 24.445 1.00 0.00 O ATOM 0 H SER A 5 20.849 9.061 22.248 1.00 0.00 H new ATOM 0 HA SER A 5 20.041 6.278 22.292 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.118 8.498 23.113 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.632 6.867 22.693 1.00 0.00 H new ATOM 0 HG SER A 5 19.629 6.743 24.523 1.00 0.00 H new ATOM 48 N SER A 6 19.045 6.611 20.014 1.00 0.00 N ATOM 49 CA SER A 6 18.708 6.790 18.607 1.00 0.00 C ATOM 50 C SER A 6 17.736 5.712 18.139 1.00 0.00 C ATOM 51 O SER A 6 17.455 4.757 18.863 1.00 0.00 O ATOM 52 CB SER A 6 19.974 6.758 17.749 1.00 0.00 C ATOM 53 OG SER A 6 20.529 5.455 17.708 1.00 0.00 O ATOM 0 H SER A 6 19.018 5.643 20.334 1.00 0.00 H new ATOM 0 HA SER A 6 18.227 7.762 18.496 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.740 7.089 16.737 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.708 7.457 18.151 1.00 0.00 H new ATOM 0 HG SER A 6 21.336 5.461 17.152 1.00 0.00 H new ATOM 59 N GLY A 7 17.223 5.873 16.923 1.00 0.00 N ATOM 60 CA GLY A 7 16.287 4.907 16.378 1.00 0.00 C ATOM 61 C GLY A 7 14.869 5.438 16.328 1.00 0.00 C ATOM 62 O GLY A 7 13.989 4.948 17.037 1.00 0.00 O ATOM 0 H GLY A 7 17.439 6.656 16.305 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.602 4.627 15.373 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.311 4.001 16.983 1.00 0.00 H new ATOM 66 N TYR A 8 14.645 6.445 15.491 1.00 0.00 N ATOM 67 CA TYR A 8 13.324 7.046 15.354 1.00 0.00 C ATOM 68 C TYR A 8 12.550 6.406 14.206 1.00 0.00 C ATOM 69 O TYR A 8 11.556 6.956 13.728 1.00 0.00 O ATOM 70 CB TYR A 8 13.448 8.553 15.123 1.00 0.00 C ATOM 71 CG TYR A 8 14.481 8.923 14.083 1.00 0.00 C ATOM 72 CD1 TYR A 8 14.364 8.479 12.771 1.00 0.00 C ATOM 73 CD2 TYR A 8 15.574 9.715 14.411 1.00 0.00 C ATOM 74 CE1 TYR A 8 15.306 8.814 11.817 1.00 0.00 C ATOM 75 CE2 TYR A 8 16.520 10.056 13.464 1.00 0.00 C ATOM 76 CZ TYR A 8 16.382 9.603 12.168 1.00 0.00 C ATOM 77 OH TYR A 8 17.322 9.939 11.222 1.00 0.00 O ATOM 0 H TYR A 8 15.362 6.862 14.897 1.00 0.00 H new ATOM 0 HA TYR A 8 12.776 6.871 16.280 1.00 0.00 H new ATOM 0 HB2 TYR A 8 12.479 8.946 14.816 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.704 9.037 16.066 1.00 0.00 H new ATOM 0 HD1 TYR A 8 13.523 7.862 12.492 1.00 0.00 H new ATOM 0 HD2 TYR A 8 15.686 10.071 15.425 1.00 0.00 H new ATOM 0 HE1 TYR A 8 15.200 8.460 10.802 1.00 0.00 H new ATOM 0 HE2 TYR A 8 17.363 10.674 13.736 1.00 0.00 H new ATOM 0 HH TYR A 8 18.013 10.499 11.632 1.00 0.00 H new ATOM 87 N LEU A 9 13.012 5.240 13.767 1.00 0.00 N ATOM 88 CA LEU A 9 12.364 4.523 12.675 1.00 0.00 C ATOM 89 C LEU A 9 10.953 4.095 13.066 1.00 0.00 C ATOM 90 O LEU A 9 10.738 2.976 13.531 1.00 0.00 O ATOM 91 CB LEU A 9 13.191 3.297 12.283 1.00 0.00 C ATOM 92 CG LEU A 9 13.081 2.852 10.824 1.00 0.00 C ATOM 93 CD1 LEU A 9 11.638 2.522 10.474 1.00 0.00 C ATOM 94 CD2 LEU A 9 13.624 3.928 9.896 1.00 0.00 C ATOM 0 H LEU A 9 13.833 4.771 14.151 1.00 0.00 H new ATOM 0 HA LEU A 9 12.296 5.196 11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.239 3.506 12.500 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.893 2.464 12.920 1.00 0.00 H new ATOM 0 HG LEU A 9 13.680 1.951 10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.579 2.207 9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.283 1.717 11.117 1.00 0.00 H new ATOM 0 HD13 LEU A 9 11.017 3.405 10.622 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.538 3.594 8.862 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.052 4.846 10.030 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.672 4.116 10.130 1.00 0.00 H new ATOM 106 N LYS A 10 9.993 4.993 12.871 1.00 0.00 N ATOM 107 CA LYS A 10 8.601 4.709 13.199 1.00 0.00 C ATOM 108 C LYS A 10 8.005 3.705 12.218 1.00 0.00 C ATOM 109 O LYS A 10 8.485 3.561 11.093 1.00 0.00 O ATOM 110 CB LYS A 10 7.779 5.999 13.188 1.00 0.00 C ATOM 111 CG LYS A 10 6.517 5.924 14.029 1.00 0.00 C ATOM 112 CD LYS A 10 5.833 7.278 14.131 1.00 0.00 C ATOM 113 CE LYS A 10 6.578 8.209 15.076 1.00 0.00 C ATOM 114 NZ LYS A 10 6.151 8.022 16.490 1.00 0.00 N ATOM 0 H LYS A 10 10.154 5.924 12.487 1.00 0.00 H new ATOM 0 HA LYS A 10 8.571 4.275 14.199 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.399 6.818 13.551 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.507 6.237 12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.830 5.200 13.591 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.765 5.565 15.028 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.774 7.733 13.142 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.810 7.144 14.482 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.650 8.029 14.993 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.405 9.243 14.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.682 8.674 17.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.133 8.219 16.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.339 7.042 16.783 1.00 0.00 H new ATOM 128 N LEU A 11 6.955 3.015 12.649 1.00 0.00 N ATOM 129 CA LEU A 11 6.291 2.025 11.807 1.00 0.00 C ATOM 130 C LEU A 11 4.833 2.404 11.568 1.00 0.00 C ATOM 131 O LEU A 11 4.080 2.643 12.512 1.00 0.00 O ATOM 132 CB LEU A 11 6.371 0.641 12.454 1.00 0.00 C ATOM 133 CG LEU A 11 7.642 -0.160 12.169 1.00 0.00 C ATOM 134 CD1 LEU A 11 8.829 0.772 11.978 1.00 0.00 C ATOM 135 CD2 LEU A 11 7.913 -1.148 13.295 1.00 0.00 C ATOM 0 H LEU A 11 6.545 3.122 13.577 1.00 0.00 H new ATOM 0 HA LEU A 11 6.803 2.000 10.845 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.275 0.760 13.533 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.514 0.056 12.120 1.00 0.00 H new ATOM 0 HG LEU A 11 7.495 -0.722 11.246 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.724 0.184 11.776 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.636 1.439 11.138 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.978 1.361 12.883 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.821 -1.710 13.076 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.039 -0.606 14.232 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.073 -1.837 13.384 1.00 0.00 H new ATOM 147 N VAL A 12 4.441 2.455 10.299 1.00 0.00 N ATOM 148 CA VAL A 12 3.072 2.801 9.936 1.00 0.00 C ATOM 149 C VAL A 12 2.302 1.574 9.462 1.00 0.00 C ATOM 150 O VAL A 12 2.818 0.763 8.693 1.00 0.00 O ATOM 151 CB VAL A 12 3.039 3.872 8.829 1.00 0.00 C ATOM 152 CG1 VAL A 12 3.605 5.188 9.342 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.803 3.395 7.603 1.00 0.00 C ATOM 0 H VAL A 12 5.052 2.261 9.505 1.00 0.00 H new ATOM 0 HA VAL A 12 2.598 3.200 10.833 1.00 0.00 H new ATOM 0 HB VAL A 12 2.001 4.039 8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.574 5.932 8.546 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.010 5.535 10.187 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.637 5.041 9.660 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.769 4.164 6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.840 3.199 7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.348 2.480 7.224 1.00 0.00 H new ATOM 163 N ARG A 13 1.064 1.443 9.928 1.00 0.00 N ATOM 164 CA ARG A 13 0.222 0.313 9.553 1.00 0.00 C ATOM 165 C ARG A 13 -0.507 0.590 8.241 1.00 0.00 C ATOM 166 O ARG A 13 -0.987 1.700 8.009 1.00 0.00 O ATOM 167 CB ARG A 13 -0.792 0.016 10.659 1.00 0.00 C ATOM 168 CG ARG A 13 -0.179 -0.633 11.889 1.00 0.00 C ATOM 169 CD ARG A 13 0.936 0.221 12.472 1.00 0.00 C ATOM 170 NE ARG A 13 1.016 0.099 13.925 1.00 0.00 N ATOM 171 CZ ARG A 13 1.667 -0.879 14.545 1.00 0.00 C ATOM 172 NH1 ARG A 13 2.291 -1.815 13.843 1.00 0.00 N ATOM 173 NH2 ARG A 13 1.694 -0.923 15.871 1.00 0.00 N ATOM 0 H ARG A 13 0.622 2.105 10.566 1.00 0.00 H new ATOM 0 HA ARG A 13 0.865 -0.557 9.415 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.278 0.946 10.954 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.568 -0.638 10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.951 -0.789 12.642 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.213 -1.615 11.626 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.888 -0.075 12.030 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.771 1.265 12.204 1.00 0.00 H new ATOM 0 HE ARG A 13 0.547 0.803 14.495 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.272 -1.786 12.824 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.790 -2.564 14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.215 -0.206 16.415 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.194 -1.674 16.346 1.00 0.00 H new ATOM 187 N ILE A 14 -0.584 -0.425 7.387 1.00 0.00 N ATOM 188 CA ILE A 14 -1.254 -0.291 6.100 1.00 0.00 C ATOM 189 C ILE A 14 -2.204 -1.458 5.850 1.00 0.00 C ATOM 190 O ILE A 14 -1.774 -2.559 5.508 1.00 0.00 O ATOM 191 CB ILE A 14 -0.241 -0.212 4.943 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.695 0.983 5.136 1.00 0.00 C ATOM 193 CG2 ILE A 14 -0.966 -0.115 3.609 1.00 0.00 C ATOM 194 CD1 ILE A 14 0.005 2.321 4.984 1.00 0.00 C ATOM 0 H ILE A 14 -0.190 -1.349 7.563 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.824 0.637 6.137 1.00 0.00 H new ATOM 0 HB ILE A 14 0.359 -1.122 4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.145 0.926 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.508 0.918 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.236 -0.060 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.594 -0.995 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.588 0.780 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.728 3.123 5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.421 2.399 3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.790 2.407 5.725 1.00 0.00 H new ATOM 206 N TYR A 15 -3.497 -1.208 6.023 1.00 0.00 N ATOM 207 CA TYR A 15 -4.509 -2.237 5.817 1.00 0.00 C ATOM 208 C TYR A 15 -4.706 -2.518 4.330 1.00 0.00 C ATOM 209 O TYR A 15 -4.970 -1.608 3.544 1.00 0.00 O ATOM 210 CB TYR A 15 -5.836 -1.811 6.447 1.00 0.00 C ATOM 211 CG TYR A 15 -5.747 -1.565 7.937 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.546 -2.615 8.824 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.865 -0.282 8.457 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.465 -2.395 10.185 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.784 -0.052 9.816 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.584 -1.112 10.677 1.00 0.00 C ATOM 217 OH TYR A 15 -5.504 -0.887 12.032 1.00 0.00 O ATOM 0 H TYR A 15 -3.869 -0.301 6.305 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.163 -3.152 6.298 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.186 -0.902 5.957 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.583 -2.583 6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.451 -3.621 8.443 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.023 0.550 7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.309 -3.223 10.860 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.877 0.952 10.203 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.607 0.071 12.211 1.00 0.00 H new ATOM 227 N THR A 16 -4.577 -3.785 3.952 1.00 0.00 N ATOM 228 CA THR A 16 -4.740 -4.188 2.560 1.00 0.00 C ATOM 229 C THR A 16 -6.189 -4.551 2.259 1.00 0.00 C ATOM 230 O THR A 16 -6.882 -5.129 3.096 1.00 0.00 O ATOM 231 CB THR A 16 -3.839 -5.389 2.214 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.928 -5.680 0.815 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.240 -6.616 3.019 1.00 0.00 C ATOM 0 H THR A 16 -4.360 -4.551 4.590 1.00 0.00 H new ATOM 0 HA THR A 16 -4.447 -3.335 1.948 1.00 0.00 H new ATOM 0 HB THR A 16 -2.811 -5.129 2.466 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.351 -6.443 0.602 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.590 -7.451 2.758 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.144 -6.400 4.083 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.274 -6.877 2.794 1.00 0.00 H new ATOM 241 N LYS A 17 -6.643 -4.208 1.058 1.00 0.00 N ATOM 242 CA LYS A 17 -8.010 -4.499 0.644 1.00 0.00 C ATOM 243 C LYS A 17 -8.030 -5.528 -0.481 1.00 0.00 C ATOM 244 O LYS A 17 -7.474 -5.316 -1.559 1.00 0.00 O ATOM 245 CB LYS A 17 -8.711 -3.217 0.190 1.00 0.00 C ATOM 246 CG LYS A 17 -10.190 -3.404 -0.104 1.00 0.00 C ATOM 247 CD LYS A 17 -10.908 -2.070 -0.219 1.00 0.00 C ATOM 248 CE LYS A 17 -12.353 -2.252 -0.659 1.00 0.00 C ATOM 249 NZ LYS A 17 -12.452 -2.645 -2.092 1.00 0.00 N ATOM 0 H LYS A 17 -6.083 -3.728 0.354 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.542 -4.913 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.596 -2.457 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.216 -2.840 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.310 -3.964 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.647 -3.997 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.881 -1.557 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.386 -1.435 -0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.828 -3.013 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.901 -1.324 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.430 -2.513 -2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.813 -2.052 -2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.183 -3.644 -2.197 1.00 0.00 H new ATOM 263 N PRO A 18 -8.688 -6.670 -0.229 1.00 0.00 N ATOM 264 CA PRO A 18 -8.798 -7.753 -1.210 1.00 0.00 C ATOM 265 C PRO A 18 -9.696 -7.382 -2.386 1.00 0.00 C ATOM 266 O PRO A 18 -10.637 -6.601 -2.240 1.00 0.00 O ATOM 267 CB PRO A 18 -9.418 -8.899 -0.406 1.00 0.00 C ATOM 268 CG PRO A 18 -10.160 -8.228 0.698 1.00 0.00 C ATOM 269 CD PRO A 18 -9.375 -6.991 1.033 1.00 0.00 C ATOM 0 HA PRO A 18 -7.834 -7.998 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.085 -9.500 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.652 -9.570 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.174 -7.975 0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.245 -8.883 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.025 -6.177 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.667 -7.171 1.841 1.00 0.00 H new ATOM 277 N LYS A 19 -9.399 -7.946 -3.552 1.00 0.00 N ATOM 278 CA LYS A 19 -10.180 -7.675 -4.754 1.00 0.00 C ATOM 279 C LYS A 19 -11.633 -8.096 -4.564 1.00 0.00 C ATOM 280 O LYS A 19 -11.972 -9.272 -4.697 1.00 0.00 O ATOM 281 CB LYS A 19 -9.577 -8.410 -5.954 1.00 0.00 C ATOM 282 CG LYS A 19 -9.535 -9.918 -5.785 1.00 0.00 C ATOM 283 CD LYS A 19 -8.498 -10.553 -6.697 1.00 0.00 C ATOM 284 CE LYS A 19 -8.284 -12.020 -6.361 1.00 0.00 C ATOM 285 NZ LYS A 19 -7.102 -12.584 -7.070 1.00 0.00 N ATOM 0 H LYS A 19 -8.623 -8.594 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.153 -6.602 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.156 -8.169 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.564 -8.043 -6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.307 -10.163 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.517 -10.337 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.818 -10.459 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.554 -10.016 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.149 -12.130 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.174 -12.588 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.990 -13.586 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.242 -12.502 -8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.248 -12.059 -6.794 1.00 0.00 H new ATOM 299 N GLY A 20 -12.490 -7.128 -4.254 1.00 0.00 N ATOM 300 CA GLY A 20 -13.897 -7.419 -4.052 1.00 0.00 C ATOM 301 C GLY A 20 -14.278 -7.458 -2.586 1.00 0.00 C ATOM 302 O GLY A 20 -15.152 -6.712 -2.145 1.00 0.00 O ATOM 0 H GLY A 20 -12.235 -6.147 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.497 -6.664 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.136 -8.378 -4.512 1.00 0.00 H new ATOM 306 N GLN A 21 -13.621 -8.331 -1.829 1.00 0.00 N ATOM 307 CA GLN A 21 -13.897 -8.465 -0.403 1.00 0.00 C ATOM 308 C GLN A 21 -13.469 -7.213 0.355 1.00 0.00 C ATOM 309 O GLN A 21 -12.829 -6.323 -0.207 1.00 0.00 O ATOM 310 CB GLN A 21 -13.177 -9.690 0.164 1.00 0.00 C ATOM 311 CG GLN A 21 -13.964 -10.982 0.014 1.00 0.00 C ATOM 312 CD GLN A 21 -14.945 -11.202 1.149 1.00 0.00 C ATOM 313 OE1 GLN A 21 -14.637 -10.939 2.311 1.00 0.00 O ATOM 314 NE2 GLN A 21 -16.136 -11.689 0.816 1.00 0.00 N ATOM 0 H GLN A 21 -12.894 -8.956 -2.179 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.972 -8.593 -0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -12.215 -9.800 -0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.969 -9.522 1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.506 -10.965 -0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.271 -11.822 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -16.349 -11.893 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -16.837 -11.859 1.537 1.00 0.00 H new ATOM 323 N LEU A 22 -13.826 -7.150 1.632 1.00 0.00 N ATOM 324 CA LEU A 22 -13.480 -6.006 2.468 1.00 0.00 C ATOM 325 C LEU A 22 -12.062 -6.141 3.016 1.00 0.00 C ATOM 326 O LEU A 22 -11.547 -7.243 3.206 1.00 0.00 O ATOM 327 CB LEU A 22 -14.474 -5.873 3.623 1.00 0.00 C ATOM 328 CG LEU A 22 -14.111 -6.615 4.910 1.00 0.00 C ATOM 329 CD1 LEU A 22 -13.128 -5.801 5.736 1.00 0.00 C ATOM 330 CD2 LEU A 22 -15.363 -6.923 5.719 1.00 0.00 C ATOM 0 H LEU A 22 -14.355 -7.878 2.112 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.528 -5.109 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.588 -4.815 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.446 -6.231 3.283 1.00 0.00 H new ATOM 0 HG LEU A 22 -13.635 -7.558 4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.881 -6.345 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.220 -5.631 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.577 -4.842 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.086 -7.451 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.867 -5.992 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -16.034 -7.547 5.128 1.00 0.00 H new ATOM 342 N PRO A 23 -11.417 -4.995 3.278 1.00 0.00 N ATOM 343 CA PRO A 23 -10.051 -4.959 3.810 1.00 0.00 C ATOM 344 C PRO A 23 -9.979 -5.444 5.254 1.00 0.00 C ATOM 345 O PRO A 23 -10.666 -4.918 6.130 1.00 0.00 O ATOM 346 CB PRO A 23 -9.676 -3.477 3.724 1.00 0.00 C ATOM 347 CG PRO A 23 -10.977 -2.754 3.767 1.00 0.00 C ATOM 348 CD PRO A 23 -11.971 -3.646 3.075 1.00 0.00 C ATOM 0 HA PRO A 23 -9.380 -5.615 3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.032 -3.183 4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.132 -3.259 2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.280 -2.557 4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.904 -1.789 3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.966 -3.551 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.060 -3.403 2.016 1.00 0.00 H new ATOM 356 N ASP A 24 -9.143 -6.448 5.494 1.00 0.00 N ATOM 357 CA ASP A 24 -8.980 -7.003 6.833 1.00 0.00 C ATOM 358 C ASP A 24 -8.165 -6.062 7.715 1.00 0.00 C ATOM 359 O ASP A 24 -7.288 -5.346 7.232 1.00 0.00 O ATOM 360 CB ASP A 24 -8.302 -8.372 6.762 1.00 0.00 C ATOM 361 CG ASP A 24 -8.690 -9.271 7.919 1.00 0.00 C ATOM 362 OD1 ASP A 24 -8.834 -8.757 9.047 1.00 0.00 O ATOM 363 OD2 ASP A 24 -8.850 -10.490 7.696 1.00 0.00 O ATOM 0 H ASP A 24 -8.568 -6.894 4.779 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.970 -7.120 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.568 -8.858 5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.220 -8.239 6.756 1.00 0.00 H new ATOM 368 N TYR A 25 -8.461 -6.069 9.010 1.00 0.00 N ATOM 369 CA TYR A 25 -7.758 -5.215 9.959 1.00 0.00 C ATOM 370 C TYR A 25 -7.118 -6.044 11.069 1.00 0.00 C ATOM 371 O TYR A 25 -6.909 -5.559 12.182 1.00 0.00 O ATOM 372 CB TYR A 25 -8.718 -4.189 10.563 1.00 0.00 C ATOM 373 CG TYR A 25 -9.679 -3.594 9.558 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.253 -3.247 8.282 1.00 0.00 C ATOM 375 CD2 TYR A 25 -11.012 -3.379 9.884 1.00 0.00 C ATOM 376 CE1 TYR A 25 -10.126 -2.703 7.360 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.893 -2.837 8.968 1.00 0.00 C ATOM 378 CZ TYR A 25 -11.445 -2.501 7.708 1.00 0.00 C ATOM 379 OH TYR A 25 -12.320 -1.959 6.794 1.00 0.00 O ATOM 0 H TYR A 25 -9.183 -6.657 9.426 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.968 -4.691 9.420 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.288 -4.664 11.362 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.139 -3.386 11.019 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.221 -3.405 8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.366 -3.640 10.870 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.778 -2.438 6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.927 -2.677 9.237 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.210 -1.884 7.198 1.00 0.00 H new ATOM 389 N THR A 26 -6.809 -7.299 10.758 1.00 0.00 N ATOM 390 CA THR A 26 -6.194 -8.197 11.727 1.00 0.00 C ATOM 391 C THR A 26 -4.882 -8.763 11.197 1.00 0.00 C ATOM 392 O THR A 26 -4.060 -9.271 11.960 1.00 0.00 O ATOM 393 CB THR A 26 -7.134 -9.362 12.088 1.00 0.00 C ATOM 394 OG1 THR A 26 -7.413 -10.146 10.923 1.00 0.00 O ATOM 395 CG2 THR A 26 -8.436 -8.844 12.680 1.00 0.00 C ATOM 0 H THR A 26 -6.975 -7.716 9.842 1.00 0.00 H new ATOM 0 HA THR A 26 -5.997 -7.608 12.623 1.00 0.00 H new ATOM 0 HB THR A 26 -6.636 -9.983 12.833 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.029 -9.656 10.339 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.084 -9.685 12.927 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.223 -8.273 13.583 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.936 -8.202 11.954 1.00 0.00 H new ATOM 403 N SER A 27 -4.691 -8.672 9.884 1.00 0.00 N ATOM 404 CA SER A 27 -3.479 -9.179 9.251 1.00 0.00 C ATOM 405 C SER A 27 -2.874 -8.132 8.321 1.00 0.00 C ATOM 406 O SER A 27 -2.493 -8.420 7.186 1.00 0.00 O ATOM 407 CB SER A 27 -3.783 -10.458 8.469 1.00 0.00 C ATOM 408 OG SER A 27 -3.963 -11.560 9.343 1.00 0.00 O ATOM 0 H SER A 27 -5.360 -8.252 9.239 1.00 0.00 H new ATOM 0 HA SER A 27 -2.756 -9.405 10.035 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.681 -10.316 7.868 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.967 -10.668 7.777 1.00 0.00 H new ATOM 0 HG SER A 27 -4.158 -12.365 8.819 1.00 0.00 H new ATOM 414 N PRO A 28 -2.784 -6.887 8.811 1.00 0.00 N ATOM 415 CA PRO A 28 -2.226 -5.771 8.041 1.00 0.00 C ATOM 416 C PRO A 28 -0.721 -5.905 7.835 1.00 0.00 C ATOM 417 O PRO A 28 -0.142 -6.963 8.080 1.00 0.00 O ATOM 418 CB PRO A 28 -2.541 -4.550 8.908 1.00 0.00 C ATOM 419 CG PRO A 28 -2.653 -5.086 10.293 1.00 0.00 C ATOM 420 CD PRO A 28 -3.219 -6.473 10.156 1.00 0.00 C ATOM 0 HA PRO A 28 -2.646 -5.717 7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.753 -3.800 8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.468 -4.070 8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.679 -5.108 10.783 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.302 -4.458 10.903 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.835 -7.142 10.926 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.305 -6.474 10.245 1.00 0.00 H new ATOM 428 N VAL A 29 -0.092 -4.824 7.384 1.00 0.00 N ATOM 429 CA VAL A 29 1.346 -4.820 7.147 1.00 0.00 C ATOM 430 C VAL A 29 2.012 -3.627 7.825 1.00 0.00 C ATOM 431 O VAL A 29 1.538 -2.496 7.719 1.00 0.00 O ATOM 432 CB VAL A 29 1.667 -4.784 5.641 1.00 0.00 C ATOM 433 CG1 VAL A 29 1.282 -3.439 5.044 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.139 -5.080 5.402 1.00 0.00 C ATOM 0 H VAL A 29 -0.556 -3.940 7.176 1.00 0.00 H new ATOM 0 HA VAL A 29 1.739 -5.743 7.573 1.00 0.00 H new ATOM 0 HB VAL A 29 1.080 -5.556 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.516 -3.433 3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.214 -3.272 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.840 -2.646 5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.347 -5.050 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.748 -4.333 5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.379 -6.070 5.791 1.00 0.00 H new ATOM 444 N VAL A 30 3.113 -3.889 8.522 1.00 0.00 N ATOM 445 CA VAL A 30 3.846 -2.837 9.216 1.00 0.00 C ATOM 446 C VAL A 30 5.044 -2.369 8.398 1.00 0.00 C ATOM 447 O VAL A 30 6.100 -3.003 8.405 1.00 0.00 O ATOM 448 CB VAL A 30 4.335 -3.312 10.597 1.00 0.00 C ATOM 449 CG1 VAL A 30 4.609 -2.123 11.505 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.318 -4.252 11.228 1.00 0.00 C ATOM 0 H VAL A 30 3.517 -4.820 8.621 1.00 0.00 H new ATOM 0 HA VAL A 30 3.155 -2.005 9.349 1.00 0.00 H new ATOM 0 HB VAL A 30 5.268 -3.859 10.464 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.954 -2.479 12.476 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.376 -1.492 11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.694 -1.545 11.634 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.680 -4.578 12.203 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.368 -3.732 11.349 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.177 -5.120 10.585 1.00 0.00 H new ATOM 460 N LEU A 31 4.874 -1.256 7.694 1.00 0.00 N ATOM 461 CA LEU A 31 5.942 -0.701 6.870 1.00 0.00 C ATOM 462 C LEU A 31 6.681 0.409 7.611 1.00 0.00 C ATOM 463 O LEU A 31 6.130 1.080 8.483 1.00 0.00 O ATOM 464 CB LEU A 31 5.372 -0.161 5.557 1.00 0.00 C ATOM 465 CG LEU A 31 4.892 -1.209 4.552 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.323 -0.538 3.312 1.00 0.00 C ATOM 467 CD2 LEU A 31 6.028 -2.150 4.179 1.00 0.00 C ATOM 0 H LEU A 31 4.007 -0.720 7.677 1.00 0.00 H new ATOM 0 HA LEU A 31 6.650 -1.500 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.536 0.498 5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.136 0.451 5.077 1.00 0.00 H new ATOM 0 HG LEU A 31 4.100 -1.795 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.987 -1.299 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.480 0.093 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.094 0.074 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.668 -2.889 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.842 -1.579 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.389 -2.657 5.074 1.00 0.00 H new ATOM 479 N PRO A 32 7.959 0.609 7.255 1.00 0.00 N ATOM 480 CA PRO A 32 8.801 1.639 7.872 1.00 0.00 C ATOM 481 C PRO A 32 8.369 3.049 7.484 1.00 0.00 C ATOM 482 O PRO A 32 7.803 3.263 6.412 1.00 0.00 O ATOM 483 CB PRO A 32 10.195 1.335 7.319 1.00 0.00 C ATOM 484 CG PRO A 32 9.947 0.633 6.028 1.00 0.00 C ATOM 485 CD PRO A 32 8.680 -0.154 6.222 1.00 0.00 C ATOM 0 HA PRO A 32 8.745 1.614 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.769 2.249 7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.766 0.710 8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.842 1.346 5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.779 -0.023 5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.105 -0.223 5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.886 -1.174 6.546 1.00 0.00 H new ATOM 493 N TYR A 33 8.640 4.008 8.362 1.00 0.00 N ATOM 494 CA TYR A 33 8.278 5.398 8.113 1.00 0.00 C ATOM 495 C TYR A 33 9.109 5.981 6.974 1.00 0.00 C ATOM 496 O TYR A 33 8.593 6.257 5.891 1.00 0.00 O ATOM 497 CB TYR A 33 8.471 6.233 9.380 1.00 0.00 C ATOM 498 CG TYR A 33 7.676 7.519 9.384 1.00 0.00 C ATOM 499 CD1 TYR A 33 8.089 8.617 8.641 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.510 7.635 10.132 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.366 9.794 8.643 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.779 8.807 10.139 1.00 0.00 C ATOM 503 CZ TYR A 33 6.212 9.884 9.393 1.00 0.00 C ATOM 504 OH TYR A 33 5.488 11.054 9.397 1.00 0.00 O ATOM 0 H TYR A 33 9.110 3.848 9.253 1.00 0.00 H new ATOM 0 HA TYR A 33 7.227 5.427 7.824 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.185 5.636 10.246 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.529 6.469 9.492 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.991 8.550 8.051 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.170 6.794 10.718 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.702 10.639 8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.874 8.880 10.725 1.00 0.00 H new ATOM 0 HH TYR A 33 4.703 10.951 9.975 1.00 0.00 H new ATOM 514 N SER A 34 10.401 6.166 7.228 1.00 0.00 N ATOM 515 CA SER A 34 11.305 6.720 6.227 1.00 0.00 C ATOM 516 C SER A 34 10.925 6.242 4.828 1.00 0.00 C ATOM 517 O SER A 34 10.900 7.024 3.879 1.00 0.00 O ATOM 518 CB SER A 34 12.749 6.324 6.539 1.00 0.00 C ATOM 519 OG SER A 34 12.819 4.997 7.031 1.00 0.00 O ATOM 0 H SER A 34 10.845 5.940 8.118 1.00 0.00 H new ATOM 0 HA SER A 34 11.219 7.806 6.257 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.357 6.414 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.167 7.011 7.275 1.00 0.00 H new ATOM 0 HG SER A 34 13.738 4.666 6.951 1.00 0.00 H new ATOM 525 N ARG A 35 10.631 4.951 4.711 1.00 0.00 N ATOM 526 CA ARG A 35 10.254 4.367 3.429 1.00 0.00 C ATOM 527 C ARG A 35 8.769 4.017 3.408 1.00 0.00 C ATOM 528 O ARG A 35 8.358 2.973 3.917 1.00 0.00 O ATOM 529 CB ARG A 35 11.088 3.116 3.149 1.00 0.00 C ATOM 530 CG ARG A 35 12.579 3.390 3.038 1.00 0.00 C ATOM 531 CD ARG A 35 13.263 3.307 4.394 1.00 0.00 C ATOM 532 NE ARG A 35 14.704 3.102 4.268 1.00 0.00 N ATOM 533 CZ ARG A 35 15.472 2.659 5.257 1.00 0.00 C ATOM 534 NH1 ARG A 35 14.940 2.376 6.438 1.00 0.00 N ATOM 535 NH2 ARG A 35 16.775 2.498 5.066 1.00 0.00 N ATOM 0 H ARG A 35 10.647 4.290 5.488 1.00 0.00 H new ATOM 0 HA ARG A 35 10.447 5.105 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.919 2.391 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.741 2.658 2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.032 2.671 2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 35 12.737 4.380 2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.075 4.224 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.829 2.489 4.969 1.00 0.00 H new ATOM 0 HE ARG A 35 15.144 3.310 3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.939 2.498 6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.532 2.036 7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.188 2.715 4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.364 2.158 5.826 1.00 0.00 H new ATOM 549 N THR A 36 7.967 4.896 2.815 1.00 0.00 N ATOM 550 CA THR A 36 6.528 4.681 2.728 1.00 0.00 C ATOM 551 C THR A 36 6.004 5.024 1.338 1.00 0.00 C ATOM 552 O THR A 36 5.968 6.191 0.947 1.00 0.00 O ATOM 553 CB THR A 36 5.771 5.523 3.772 1.00 0.00 C ATOM 554 OG1 THR A 36 6.343 6.833 3.854 1.00 0.00 O ATOM 555 CG2 THR A 36 5.816 4.858 5.140 1.00 0.00 C ATOM 0 H THR A 36 8.290 5.764 2.388 1.00 0.00 H new ATOM 0 HA THR A 36 6.353 3.624 2.928 1.00 0.00 H new ATOM 0 HB THR A 36 4.730 5.601 3.457 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.085 6.827 4.494 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.275 5.471 5.861 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.353 3.873 5.081 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.853 4.753 5.459 1.00 0.00 H new ATOM 563 N THR A 37 5.596 4.000 0.595 1.00 0.00 N ATOM 564 CA THR A 37 5.074 4.193 -0.751 1.00 0.00 C ATOM 565 C THR A 37 4.336 2.951 -1.238 1.00 0.00 C ATOM 566 O THR A 37 4.700 1.826 -0.895 1.00 0.00 O ATOM 567 CB THR A 37 6.200 4.530 -1.747 1.00 0.00 C ATOM 568 OG1 THR A 37 7.423 3.912 -1.333 1.00 0.00 O ATOM 569 CG2 THR A 37 6.396 6.035 -1.852 1.00 0.00 C ATOM 0 H THR A 37 5.617 3.028 0.904 1.00 0.00 H new ATOM 0 HA THR A 37 4.378 5.031 -0.703 1.00 0.00 H new ATOM 0 HB THR A 37 5.915 4.147 -2.727 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.133 4.130 -1.973 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.196 6.249 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.472 6.499 -2.197 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.661 6.437 -0.874 1.00 0.00 H new ATOM 577 N VAL A 38 3.297 3.162 -2.040 1.00 0.00 N ATOM 578 CA VAL A 38 2.509 2.058 -2.576 1.00 0.00 C ATOM 579 C VAL A 38 3.406 0.916 -3.040 1.00 0.00 C ATOM 580 O VAL A 38 3.124 -0.253 -2.778 1.00 0.00 O ATOM 581 CB VAL A 38 1.630 2.517 -3.755 1.00 0.00 C ATOM 582 CG1 VAL A 38 0.826 1.350 -4.307 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.712 3.652 -3.325 1.00 0.00 C ATOM 0 H VAL A 38 2.981 4.087 -2.333 1.00 0.00 H new ATOM 0 HA VAL A 38 1.867 1.706 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 38 2.280 2.887 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.211 1.693 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.506 0.572 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.184 0.947 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.098 3.964 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.067 3.311 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.312 4.495 -2.982 1.00 0.00 H new ATOM 593 N GLU A 39 4.488 1.263 -3.730 1.00 0.00 N ATOM 594 CA GLU A 39 5.426 0.266 -4.230 1.00 0.00 C ATOM 595 C GLU A 39 6.066 -0.506 -3.079 1.00 0.00 C ATOM 596 O GLU A 39 6.159 -1.733 -3.116 1.00 0.00 O ATOM 597 CB GLU A 39 6.512 0.934 -5.076 1.00 0.00 C ATOM 598 CG GLU A 39 7.319 1.976 -4.319 1.00 0.00 C ATOM 599 CD GLU A 39 8.428 2.579 -5.159 1.00 0.00 C ATOM 600 OE1 GLU A 39 9.481 1.924 -5.307 1.00 0.00 O ATOM 601 OE2 GLU A 39 8.243 3.704 -5.668 1.00 0.00 O ATOM 0 H GLU A 39 4.736 2.226 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 39 4.871 -0.437 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.188 0.168 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.047 1.405 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.653 2.769 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.750 1.519 -3.428 1.00 0.00 H new ATOM 608 N ASP A 40 6.504 0.223 -2.058 1.00 0.00 N ATOM 609 CA ASP A 40 7.134 -0.392 -0.895 1.00 0.00 C ATOM 610 C ASP A 40 6.259 -1.505 -0.328 1.00 0.00 C ATOM 611 O ASP A 40 6.760 -2.544 0.104 1.00 0.00 O ATOM 612 CB ASP A 40 7.404 0.661 0.181 1.00 0.00 C ATOM 613 CG ASP A 40 7.835 0.045 1.498 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.435 -1.050 1.472 1.00 0.00 O ATOM 615 OD2 ASP A 40 7.572 0.658 2.554 1.00 0.00 O ATOM 0 H ASP A 40 6.434 1.240 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 40 8.082 -0.827 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.179 1.343 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.504 1.255 0.338 1.00 0.00 H new ATOM 620 N PHE A 41 4.950 -1.281 -0.331 1.00 0.00 N ATOM 621 CA PHE A 41 4.004 -2.264 0.186 1.00 0.00 C ATOM 622 C PHE A 41 3.947 -3.491 -0.720 1.00 0.00 C ATOM 623 O PHE A 41 3.975 -4.628 -0.246 1.00 0.00 O ATOM 624 CB PHE A 41 2.611 -1.645 0.314 1.00 0.00 C ATOM 625 CG PHE A 41 1.520 -2.660 0.509 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.153 -3.508 -0.524 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.862 -2.764 1.723 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.150 -4.442 -0.348 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.141 -3.697 1.905 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.499 -4.536 0.868 1.00 0.00 C ATOM 0 H PHE A 41 4.519 -0.427 -0.686 1.00 0.00 H new ATOM 0 HA PHE A 41 4.346 -2.577 1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.606 -0.952 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.398 -1.061 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.656 -3.438 -1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.136 -2.109 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.126 -5.098 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.645 -3.770 2.858 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.285 -5.264 1.007 1.00 0.00 H new ATOM 640 N CYS A 42 3.865 -3.253 -2.024 1.00 0.00 N ATOM 641 CA CYS A 42 3.802 -4.338 -2.997 1.00 0.00 C ATOM 642 C CYS A 42 4.966 -5.305 -2.809 1.00 0.00 C ATOM 643 O CYS A 42 4.819 -6.513 -2.995 1.00 0.00 O ATOM 644 CB CYS A 42 3.815 -3.776 -4.419 1.00 0.00 C ATOM 645 SG CYS A 42 2.324 -2.854 -4.862 1.00 0.00 S ATOM 0 H CYS A 42 3.841 -2.319 -2.432 1.00 0.00 H new ATOM 0 HA CYS A 42 2.871 -4.883 -2.838 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.680 -3.123 -4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.943 -4.599 -5.122 1.00 0.00 H new ATOM 0 HG CYS A 42 2.287 -1.741 -4.191 1.00 0.00 H new ATOM 651 N MET A 43 6.123 -4.766 -2.440 1.00 0.00 N ATOM 652 CA MET A 43 7.313 -5.582 -2.228 1.00 0.00 C ATOM 653 C MET A 43 7.079 -6.606 -1.121 1.00 0.00 C ATOM 654 O MET A 43 7.489 -7.762 -1.234 1.00 0.00 O ATOM 655 CB MET A 43 8.509 -4.696 -1.874 1.00 0.00 C ATOM 656 CG MET A 43 9.000 -3.846 -3.035 1.00 0.00 C ATOM 657 SD MET A 43 9.676 -4.835 -4.382 1.00 0.00 S ATOM 658 CE MET A 43 8.712 -4.228 -5.764 1.00 0.00 C ATOM 0 H MET A 43 6.262 -3.768 -2.282 1.00 0.00 H new ATOM 0 HA MET A 43 7.527 -6.116 -3.154 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.234 -4.042 -1.046 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.327 -5.326 -1.524 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.175 -3.241 -3.412 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.764 -3.156 -2.677 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.015 -4.746 -6.674 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.654 -4.411 -5.578 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.880 -3.158 -5.882 1.00 0.00 H new ATOM 668 N LYS A 44 6.419 -6.174 -0.052 1.00 0.00 N ATOM 669 CA LYS A 44 6.130 -7.053 1.075 1.00 0.00 C ATOM 670 C LYS A 44 5.300 -8.253 0.630 1.00 0.00 C ATOM 671 O LYS A 44 5.451 -9.354 1.160 1.00 0.00 O ATOM 672 CB LYS A 44 5.387 -6.284 2.170 1.00 0.00 C ATOM 673 CG LYS A 44 6.261 -5.288 2.913 1.00 0.00 C ATOM 674 CD LYS A 44 7.258 -5.990 3.821 1.00 0.00 C ATOM 675 CE LYS A 44 6.659 -6.278 5.189 1.00 0.00 C ATOM 676 NZ LYS A 44 5.849 -7.528 5.188 1.00 0.00 N ATOM 0 H LYS A 44 6.074 -5.220 0.058 1.00 0.00 H new ATOM 0 HA LYS A 44 7.078 -7.416 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.546 -5.754 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.973 -6.995 2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.796 -4.666 2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.633 -4.623 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.578 -6.924 3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.147 -5.370 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.459 -6.364 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.033 -5.440 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.884 -7.965 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.863 -7.302 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.234 -8.191 4.485 1.00 0.00 H new ATOM 690 N ILE A 45 4.425 -8.033 -0.346 1.00 0.00 N ATOM 691 CA ILE A 45 3.574 -9.097 -0.863 1.00 0.00 C ATOM 692 C ILE A 45 4.330 -9.970 -1.859 1.00 0.00 C ATOM 693 O ILE A 45 4.644 -11.126 -1.574 1.00 0.00 O ATOM 694 CB ILE A 45 2.316 -8.530 -1.546 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.490 -7.716 -0.547 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.481 -9.656 -2.137 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.511 -8.280 0.856 1.00 0.00 C ATOM 0 H ILE A 45 4.287 -7.127 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 45 3.272 -9.703 -0.009 1.00 0.00 H new ATOM 0 HB ILE A 45 2.627 -7.870 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.867 -6.693 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.458 -7.668 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.595 -9.239 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.072 -10.198 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.177 -10.339 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.905 -7.652 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.106 -9.292 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.537 -8.302 1.224 1.00 0.00 H new ATOM 709 N HIS A 46 4.620 -9.409 -3.028 1.00 0.00 N ATOM 710 CA HIS A 46 5.342 -10.135 -4.067 1.00 0.00 C ATOM 711 C HIS A 46 6.306 -9.212 -4.806 1.00 0.00 C ATOM 712 O HIS A 46 5.889 -8.249 -5.451 1.00 0.00 O ATOM 713 CB HIS A 46 4.360 -10.763 -5.056 1.00 0.00 C ATOM 714 CG HIS A 46 4.861 -12.032 -5.675 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.126 -12.158 -7.022 1.00 0.00 N ATOM 716 CD2 HIS A 46 5.148 -13.233 -5.122 1.00 0.00 C ATOM 717 CE1 HIS A 46 5.553 -13.384 -7.271 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.575 -14.056 -6.135 1.00 0.00 N ATOM 0 H HIS A 46 4.366 -8.454 -3.280 1.00 0.00 H new ATOM 0 HA HIS A 46 5.920 -10.926 -3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.420 -10.965 -4.543 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.143 -10.044 -5.846 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.058 -13.496 -4.078 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.836 -13.770 -8.239 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.862 -15.029 -6.027 1.00 0.00 H new ATOM 727 N LYS A 47 7.597 -9.511 -4.708 1.00 0.00 N ATOM 728 CA LYS A 47 8.620 -8.709 -5.367 1.00 0.00 C ATOM 729 C LYS A 47 8.288 -8.507 -6.842 1.00 0.00 C ATOM 730 O LYS A 47 8.785 -7.579 -7.479 1.00 0.00 O ATOM 731 CB LYS A 47 9.989 -9.379 -5.230 1.00 0.00 C ATOM 732 CG LYS A 47 10.067 -10.745 -5.890 1.00 0.00 C ATOM 733 CD LYS A 47 11.183 -11.589 -5.297 1.00 0.00 C ATOM 734 CE LYS A 47 10.785 -12.169 -3.948 1.00 0.00 C ATOM 735 NZ LYS A 47 11.964 -12.676 -3.193 1.00 0.00 N ATOM 0 H LYS A 47 7.959 -10.304 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 47 8.649 -7.733 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.747 -8.730 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.229 -9.482 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.115 -11.263 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.231 -10.624 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.433 -12.398 -5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.080 -10.980 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.278 -11.404 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.073 -12.981 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.651 -13.063 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.433 -13.423 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.632 -11.896 -3.028 1.00 0.00 H new ATOM 749 N ASN A 48 7.442 -9.381 -7.378 1.00 0.00 N ATOM 750 CA ASN A 48 7.042 -9.297 -8.778 1.00 0.00 C ATOM 751 C ASN A 48 5.593 -8.834 -8.904 1.00 0.00 C ATOM 752 O ASN A 48 4.885 -9.220 -9.835 1.00 0.00 O ATOM 753 CB ASN A 48 7.217 -10.654 -9.462 1.00 0.00 C ATOM 754 CG ASN A 48 8.640 -10.887 -9.929 1.00 0.00 C ATOM 755 OD1 ASN A 48 8.879 -11.627 -10.884 1.00 0.00 O ATOM 756 ND2 ASN A 48 9.595 -10.255 -9.256 1.00 0.00 N ATOM 0 H ASN A 48 7.021 -10.155 -6.864 1.00 0.00 H new ATOM 0 HA ASN A 48 7.682 -8.564 -9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.930 -11.446 -8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.542 -10.717 -10.316 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.572 -10.373 -9.524 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.351 -9.651 -8.471 1.00 0.00 H new ATOM 763 N LEU A 49 5.159 -8.006 -7.960 1.00 0.00 N ATOM 764 CA LEU A 49 3.795 -7.489 -7.965 1.00 0.00 C ATOM 765 C LEU A 49 3.738 -6.106 -8.605 1.00 0.00 C ATOM 766 O LEU A 49 2.864 -5.828 -9.427 1.00 0.00 O ATOM 767 CB LEU A 49 3.248 -7.426 -6.537 1.00 0.00 C ATOM 768 CG LEU A 49 1.978 -6.597 -6.342 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.836 -7.168 -7.168 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.598 -6.543 -4.869 1.00 0.00 C ATOM 0 H LEU A 49 5.731 -7.678 -7.182 1.00 0.00 H new ATOM 0 HA LEU A 49 3.178 -8.167 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.049 -8.443 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.025 -7.021 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 49 2.174 -5.581 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.059 -6.565 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.108 -7.155 -8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.640 -8.194 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.692 -5.949 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.421 -7.554 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.409 -6.087 -4.301 1.00 0.00 H new ATOM 782 N ILE A 50 4.676 -5.245 -8.226 1.00 0.00 N ATOM 783 CA ILE A 50 4.735 -3.893 -8.767 1.00 0.00 C ATOM 784 C ILE A 50 4.556 -3.898 -10.281 1.00 0.00 C ATOM 785 O ILE A 50 3.923 -3.005 -10.846 1.00 0.00 O ATOM 786 CB ILE A 50 6.069 -3.206 -8.421 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.942 -1.689 -8.580 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.186 -3.745 -9.302 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.291 -1.010 -7.395 1.00 0.00 C ATOM 0 H ILE A 50 5.406 -5.460 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 50 3.919 -3.334 -8.309 1.00 0.00 H new ATOM 0 HB ILE A 50 6.315 -3.424 -7.382 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.934 -1.263 -8.733 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.361 -1.473 -9.477 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.123 -3.250 -9.046 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.288 -4.819 -9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.949 -3.553 -10.348 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.234 0.063 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.286 -1.408 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.883 -1.195 -6.499 1.00 0.00 H new ATOM 801 N LYS A 51 5.115 -4.911 -10.934 1.00 0.00 N ATOM 802 CA LYS A 51 5.016 -5.035 -12.383 1.00 0.00 C ATOM 803 C LYS A 51 3.559 -5.154 -12.821 1.00 0.00 C ATOM 804 O LYS A 51 3.151 -4.559 -13.817 1.00 0.00 O ATOM 805 CB LYS A 51 5.805 -6.254 -12.866 1.00 0.00 C ATOM 806 CG LYS A 51 7.310 -6.095 -12.735 1.00 0.00 C ATOM 807 CD LYS A 51 8.038 -7.386 -13.071 1.00 0.00 C ATOM 808 CE LYS A 51 8.229 -8.255 -11.837 1.00 0.00 C ATOM 809 NZ LYS A 51 9.465 -7.893 -11.090 1.00 0.00 N ATOM 0 H LYS A 51 5.642 -5.659 -10.482 1.00 0.00 H new ATOM 0 HA LYS A 51 5.439 -4.135 -12.829 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.490 -7.129 -12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.558 -6.446 -13.910 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.652 -5.300 -13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.558 -5.791 -11.718 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.474 -7.938 -13.823 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.009 -7.154 -13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.365 -8.150 -11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.278 -9.302 -12.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.148 -8.675 -11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.883 -7.036 -11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.228 -7.714 -10.093 1.00 0.00 H new ATOM 823 N GLU A 52 2.781 -5.925 -12.068 1.00 0.00 N ATOM 824 CA GLU A 52 1.369 -6.119 -12.379 1.00 0.00 C ATOM 825 C GLU A 52 0.513 -5.044 -11.716 1.00 0.00 C ATOM 826 O GLU A 52 -0.631 -4.817 -12.109 1.00 0.00 O ATOM 827 CB GLU A 52 0.910 -7.505 -11.922 1.00 0.00 C ATOM 828 CG GLU A 52 1.867 -8.621 -12.307 1.00 0.00 C ATOM 829 CD GLU A 52 1.749 -9.012 -13.767 1.00 0.00 C ATOM 830 OE1 GLU A 52 2.013 -8.154 -14.635 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.393 -10.178 -14.042 1.00 0.00 O ATOM 0 H GLU A 52 3.104 -6.425 -11.239 1.00 0.00 H new ATOM 0 HA GLU A 52 1.247 -6.041 -13.459 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.789 -7.499 -10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.070 -7.714 -12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.890 -8.305 -12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.671 -9.494 -11.684 1.00 0.00 H new ATOM 838 N PHE A 53 1.076 -4.385 -10.709 1.00 0.00 N ATOM 839 CA PHE A 53 0.364 -3.335 -9.990 1.00 0.00 C ATOM 840 C PHE A 53 -0.090 -2.234 -10.944 1.00 0.00 C ATOM 841 O PHE A 53 0.711 -1.676 -11.693 1.00 0.00 O ATOM 842 CB PHE A 53 1.256 -2.741 -8.897 1.00 0.00 C ATOM 843 CG PHE A 53 0.833 -1.368 -8.459 1.00 0.00 C ATOM 844 CD1 PHE A 53 1.297 -0.242 -9.120 1.00 0.00 C ATOM 845 CD2 PHE A 53 -0.028 -1.203 -7.387 1.00 0.00 C ATOM 846 CE1 PHE A 53 0.911 1.023 -8.718 1.00 0.00 C ATOM 847 CE2 PHE A 53 -0.419 0.059 -6.980 1.00 0.00 C ATOM 848 CZ PHE A 53 0.051 1.173 -7.648 1.00 0.00 C ATOM 0 H PHE A 53 2.023 -4.559 -10.372 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.518 -3.779 -9.529 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.251 -3.407 -8.034 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.283 -2.698 -9.261 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.968 -0.354 -9.959 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.399 -2.071 -6.862 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.282 1.893 -9.240 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.090 0.174 -6.142 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.254 2.160 -7.334 1.00 0.00 H new ATOM 858 N LYS A 54 -1.383 -1.929 -10.913 1.00 0.00 N ATOM 859 CA LYS A 54 -1.947 -0.895 -11.773 1.00 0.00 C ATOM 860 C LYS A 54 -2.176 0.396 -10.995 1.00 0.00 C ATOM 861 O LYS A 54 -1.569 1.426 -11.289 1.00 0.00 O ATOM 862 CB LYS A 54 -3.265 -1.375 -12.385 1.00 0.00 C ATOM 863 CG LYS A 54 -3.726 -0.542 -13.567 1.00 0.00 C ATOM 864 CD LYS A 54 -5.060 -1.030 -14.107 1.00 0.00 C ATOM 865 CE LYS A 54 -5.784 0.065 -14.876 1.00 0.00 C ATOM 866 NZ LYS A 54 -6.740 -0.495 -15.871 1.00 0.00 N ATOM 0 H LYS A 54 -2.061 -2.384 -10.301 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.234 -0.694 -12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.152 -2.411 -12.704 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.039 -1.361 -11.617 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.814 0.502 -13.265 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.976 -0.583 -14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.898 -1.888 -14.759 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.685 -1.371 -13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.321 0.705 -14.177 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.054 0.693 -15.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.213 0.283 -16.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.224 -1.086 -16.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.452 -1.074 -15.381 1.00 0.00 H new ATOM 880 N TYR A 55 -3.054 0.334 -9.999 1.00 0.00 N ATOM 881 CA TYR A 55 -3.363 1.499 -9.179 1.00 0.00 C ATOM 882 C TYR A 55 -3.767 1.080 -7.769 1.00 0.00 C ATOM 883 O TYR A 55 -3.996 -0.099 -7.501 1.00 0.00 O ATOM 884 CB TYR A 55 -4.485 2.317 -9.821 1.00 0.00 C ATOM 885 CG TYR A 55 -5.775 1.548 -9.990 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.691 1.452 -8.950 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.078 0.915 -11.189 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.872 0.750 -9.099 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.256 0.212 -11.349 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.150 0.132 -10.301 1.00 0.00 C ATOM 891 OH TYR A 55 -9.324 -0.569 -10.455 1.00 0.00 O ATOM 0 H TYR A 55 -3.564 -0.511 -9.741 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.466 2.114 -9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.675 3.199 -9.210 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.152 2.671 -10.797 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.476 1.935 -8.008 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.380 0.974 -12.011 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.573 0.685 -8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.476 -0.272 -12.289 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.366 -0.942 -11.360 1.00 0.00 H new ATOM 901 N ALA A 56 -3.852 2.056 -6.870 1.00 0.00 N ATOM 902 CA ALA A 56 -4.230 1.791 -5.488 1.00 0.00 C ATOM 903 C ALA A 56 -5.294 2.774 -5.012 1.00 0.00 C ATOM 904 O ALA A 56 -5.190 3.979 -5.246 1.00 0.00 O ATOM 905 CB ALA A 56 -3.008 1.855 -4.584 1.00 0.00 C ATOM 0 H ALA A 56 -3.664 3.037 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.652 0.787 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.306 1.655 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.280 1.109 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.561 2.847 -4.646 1.00 0.00 H new ATOM 911 N LEU A 57 -6.318 2.253 -4.344 1.00 0.00 N ATOM 912 CA LEU A 57 -7.403 3.085 -3.836 1.00 0.00 C ATOM 913 C LEU A 57 -7.285 3.270 -2.326 1.00 0.00 C ATOM 914 O LEU A 57 -7.686 2.402 -1.550 1.00 0.00 O ATOM 915 CB LEU A 57 -8.756 2.461 -4.180 1.00 0.00 C ATOM 916 CG LEU A 57 -8.959 2.064 -5.643 1.00 0.00 C ATOM 917 CD1 LEU A 57 -9.992 0.955 -5.757 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.377 3.272 -6.470 1.00 0.00 C ATOM 0 H LEU A 57 -6.419 1.258 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.330 4.063 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.892 1.574 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.540 3.166 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.012 1.691 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.123 0.686 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.653 0.083 -5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.942 1.300 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.517 2.971 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.312 3.674 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.602 4.036 -6.415 1.00 0.00 H new ATOM 930 N VAL A 58 -6.734 4.408 -1.916 1.00 0.00 N ATOM 931 CA VAL A 58 -6.566 4.709 -0.499 1.00 0.00 C ATOM 932 C VAL A 58 -7.863 5.233 0.109 1.00 0.00 C ATOM 933 O VAL A 58 -8.636 5.924 -0.555 1.00 0.00 O ATOM 934 CB VAL A 58 -5.450 5.746 -0.273 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.231 5.980 1.213 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.162 5.298 -0.947 1.00 0.00 C ATOM 0 H VAL A 58 -6.396 5.137 -2.545 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.289 3.776 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.759 6.690 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.439 6.716 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.153 6.349 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.944 5.043 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.384 6.043 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.846 4.342 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.331 5.188 -2.018 1.00 0.00 H new ATOM 946 N TRP A 59 -8.094 4.900 1.373 1.00 0.00 N ATOM 947 CA TRP A 59 -9.297 5.337 2.071 1.00 0.00 C ATOM 948 C TRP A 59 -8.957 5.880 3.455 1.00 0.00 C ATOM 949 O TRP A 59 -8.920 5.134 4.432 1.00 0.00 O ATOM 950 CB TRP A 59 -10.290 4.180 2.193 1.00 0.00 C ATOM 951 CG TRP A 59 -10.918 3.796 0.888 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.946 4.435 0.254 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.562 2.685 0.059 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.249 3.788 -0.920 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.413 2.712 -1.063 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.604 1.672 0.153 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.335 1.763 -2.079 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.528 0.731 -0.856 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.389 0.782 -1.960 1.00 0.00 C ATOM 0 H TRP A 59 -7.464 4.329 1.936 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.753 6.138 1.489 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.777 3.313 2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -11.074 4.456 2.898 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.447 5.319 0.621 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -12.978 4.064 -1.578 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.935 1.625 0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -11.998 1.800 -2.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.792 -0.057 -0.792 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.304 0.032 -2.732 1.00 0.00 H new ATOM 970 N GLY A 60 -8.709 7.184 3.530 1.00 0.00 N ATOM 971 CA GLY A 60 -8.376 7.804 4.799 1.00 0.00 C ATOM 972 C GLY A 60 -8.097 9.287 4.665 1.00 0.00 C ATOM 973 O GLY A 60 -8.557 9.930 3.720 1.00 0.00 O ATOM 0 H GLY A 60 -8.733 7.822 2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.198 7.654 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.502 7.310 5.223 1.00 0.00 H new ATOM 977 N LEU A 61 -7.343 9.834 5.612 1.00 0.00 N ATOM 978 CA LEU A 61 -7.004 11.253 5.596 1.00 0.00 C ATOM 979 C LEU A 61 -6.034 11.569 4.463 1.00 0.00 C ATOM 980 O LEU A 61 -6.144 12.605 3.808 1.00 0.00 O ATOM 981 CB LEU A 61 -6.393 11.666 6.936 1.00 0.00 C ATOM 982 CG LEU A 61 -7.367 11.796 8.107 1.00 0.00 C ATOM 983 CD1 LEU A 61 -7.737 10.424 8.649 1.00 0.00 C ATOM 984 CD2 LEU A 61 -6.768 12.662 9.206 1.00 0.00 C ATOM 0 H LEU A 61 -6.955 9.317 6.401 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.921 11.819 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.629 10.936 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.887 12.622 6.802 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.276 12.278 7.747 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.431 10.537 9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.208 9.837 7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.837 9.914 8.993 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.475 12.743 10.031 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.844 12.208 9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.555 13.655 8.811 1.00 0.00 H new ATOM 996 N SER A 62 -5.084 10.667 4.235 1.00 0.00 N ATOM 997 CA SER A 62 -4.093 10.850 3.181 1.00 0.00 C ATOM 998 C SER A 62 -4.719 11.508 1.955 1.00 0.00 C ATOM 999 O SER A 62 -4.084 12.317 1.278 1.00 0.00 O ATOM 1000 CB SER A 62 -3.476 9.505 2.793 1.00 0.00 C ATOM 1001 OG SER A 62 -4.430 8.671 2.157 1.00 0.00 O ATOM 0 H SER A 62 -4.980 9.802 4.766 1.00 0.00 H new ATOM 0 HA SER A 62 -3.309 11.505 3.563 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.629 9.668 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.090 9.008 3.683 1.00 0.00 H new ATOM 0 HG SER A 62 -4.999 8.249 2.834 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.969 11.154 1.675 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.683 11.710 0.531 1.00 0.00 C ATOM 1009 C VAL A 63 -7.868 12.556 0.982 1.00 0.00 C ATOM 1010 O VAL A 63 -8.297 12.482 2.134 1.00 0.00 O ATOM 1011 CB VAL A 63 -7.188 10.599 -0.409 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -6.071 9.615 -0.722 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -8.383 9.885 0.204 1.00 0.00 C ATOM 0 H VAL A 63 -6.508 10.485 2.224 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.975 12.339 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.508 11.057 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.447 8.838 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.248 10.141 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.716 9.161 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.727 9.103 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.092 9.439 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.188 10.601 0.371 1.00 0.00 H new ATOM 1023 N LYS A 64 -8.395 13.362 0.066 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.532 14.223 0.367 1.00 0.00 C ATOM 1025 C LYS A 64 -10.829 13.613 -0.155 1.00 0.00 C ATOM 1026 O LYS A 64 -11.879 13.725 0.479 1.00 0.00 O ATOM 1027 CB LYS A 64 -9.325 15.610 -0.247 1.00 0.00 C ATOM 1028 CG LYS A 64 -8.164 16.377 0.362 1.00 0.00 C ATOM 1029 CD LYS A 64 -8.599 17.171 1.582 1.00 0.00 C ATOM 1030 CE LYS A 64 -7.484 18.075 2.085 1.00 0.00 C ATOM 1031 NZ LYS A 64 -7.171 19.161 1.116 1.00 0.00 N ATOM 0 H LYS A 64 -8.052 13.437 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.606 14.319 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.156 15.502 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.238 16.192 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.374 15.680 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.743 17.053 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.473 17.773 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.899 16.486 2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.774 18.513 3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.588 17.481 2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.616 19.901 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.622 18.771 0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.056 19.570 0.755 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.750 12.967 -1.314 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.918 12.338 -1.920 1.00 0.00 C ATOM 1047 C HIS A 65 -11.604 10.907 -2.346 1.00 0.00 C ATOM 1048 O HIS A 65 -10.926 10.682 -3.348 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.392 13.149 -3.127 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.869 14.524 -2.774 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.798 14.767 -1.784 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -12.539 15.734 -3.283 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -14.020 16.067 -1.702 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -13.268 16.676 -2.601 1.00 0.00 N ATOM 0 H HIS A 65 -9.890 12.865 -1.852 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.713 12.311 -1.175 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.575 13.230 -3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.199 12.609 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.833 15.923 -4.078 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.701 16.550 -1.016 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -13.234 17.683 -2.762 1.00 0.00 H new ATOM 1063 N ASN A 66 -12.100 9.943 -1.577 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.871 8.534 -1.875 1.00 0.00 C ATOM 1065 C ASN A 66 -13.146 7.873 -2.392 1.00 0.00 C ATOM 1066 O ASN A 66 -14.258 8.350 -2.166 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.374 7.802 -0.626 1.00 0.00 C ATOM 1068 CG ASN A 66 -11.975 8.361 0.649 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -13.196 8.433 0.794 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -11.118 8.760 1.581 1.00 0.00 N ATOM 0 H ASN A 66 -12.663 10.112 -0.743 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.110 8.471 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.620 6.743 -0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.288 7.874 -0.574 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.463 9.145 2.460 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.114 8.682 1.418 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.982 6.747 -3.102 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.663 6.170 -3.378 1.00 0.00 C ATOM 1079 C PRO A 67 -10.851 7.018 -4.350 1.00 0.00 C ATOM 1080 O PRO A 67 -11.365 7.466 -5.375 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.994 4.811 -4.001 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.351 4.985 -4.590 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.072 5.951 -3.691 1.00 0.00 C ATOM 0 HA PRO A 67 -11.051 6.104 -2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.264 4.536 -4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.986 4.019 -3.252 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.288 5.371 -5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.879 4.033 -4.643 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.769 6.576 -4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.650 5.433 -2.926 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.581 7.234 -4.022 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.699 8.029 -4.868 1.00 0.00 C ATOM 1093 C GLN A 68 -7.712 7.138 -5.616 1.00 0.00 C ATOM 1094 O GLN A 68 -6.962 6.376 -5.006 1.00 0.00 O ATOM 1095 CB GLN A 68 -7.940 9.056 -4.026 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.187 10.085 -4.854 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.923 11.368 -4.091 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.835 11.958 -3.511 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.670 11.808 -4.088 1.00 0.00 N ATOM 0 H GLN A 68 -9.140 6.870 -3.177 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.314 8.552 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.645 9.572 -3.375 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.234 8.534 -3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.238 9.659 -5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.760 10.313 -5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.945 11.287 -4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.432 12.667 -3.592 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.719 7.237 -6.940 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.825 6.441 -7.773 1.00 0.00 C ATOM 1110 C LYS A 69 -5.392 6.956 -7.679 1.00 0.00 C ATOM 1111 O LYS A 69 -5.061 8.005 -8.232 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.293 6.467 -9.230 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.836 5.264 -10.037 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.577 5.166 -11.359 1.00 0.00 C ATOM 1115 CE LYS A 69 -7.114 3.965 -12.170 1.00 0.00 C ATOM 1116 NZ LYS A 69 -7.382 4.140 -13.624 1.00 0.00 N ATOM 0 H LYS A 69 -8.335 7.862 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.848 5.414 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.382 6.517 -9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.923 7.375 -9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.765 5.336 -10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.999 4.354 -9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.648 5.089 -11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.419 6.078 -11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.046 3.811 -12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.621 3.069 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.052 3.300 -14.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.404 4.261 -13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.878 4.981 -13.971 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.545 6.211 -6.976 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.147 6.591 -6.813 1.00 0.00 C ATOM 1132 C VAL A 70 -2.229 5.657 -7.593 1.00 0.00 C ATOM 1133 O VAL A 70 -2.652 4.600 -8.059 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.732 6.579 -5.329 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.647 7.477 -4.511 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.741 5.158 -4.786 1.00 0.00 C ATOM 0 H VAL A 70 -4.803 5.341 -6.510 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.047 7.604 -7.203 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.717 6.968 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.338 7.456 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.585 8.498 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.674 7.122 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.446 5.168 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.744 4.740 -4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.040 4.547 -5.355 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.968 6.056 -7.732 1.00 0.00 N ATOM 1147 CA GLY A 71 -0.009 5.243 -8.457 1.00 0.00 C ATOM 1148 C GLY A 71 0.950 4.516 -7.535 1.00 0.00 C ATOM 1149 O GLY A 71 0.612 4.213 -6.390 1.00 0.00 O ATOM 0 H GLY A 71 -0.594 6.927 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.543 4.515 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.558 5.877 -9.139 1.00 0.00 H new ATOM 1153 N LYS A 72 2.149 4.234 -8.033 1.00 0.00 N ATOM 1154 CA LYS A 72 3.160 3.538 -7.247 1.00 0.00 C ATOM 1155 C LYS A 72 4.059 4.529 -6.516 1.00 0.00 C ATOM 1156 O LYS A 72 4.769 4.164 -5.579 1.00 0.00 O ATOM 1157 CB LYS A 72 4.005 2.636 -8.150 1.00 0.00 C ATOM 1158 CG LYS A 72 4.725 3.386 -9.257 1.00 0.00 C ATOM 1159 CD LYS A 72 6.102 3.850 -8.812 1.00 0.00 C ATOM 1160 CE LYS A 72 7.151 2.770 -9.028 1.00 0.00 C ATOM 1161 NZ LYS A 72 8.520 3.342 -9.153 1.00 0.00 N ATOM 0 H LYS A 72 2.444 4.477 -8.979 1.00 0.00 H new ATOM 0 HA LYS A 72 2.649 2.924 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.741 2.112 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.362 1.877 -8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.822 2.742 -10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.130 4.248 -9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.382 4.746 -9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.072 4.124 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.126 2.068 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.910 2.205 -9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.205 2.574 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.552 3.993 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.761 3.860 -8.284 1.00 0.00 H new ATOM 1175 N ASP A 73 4.023 5.785 -6.949 1.00 0.00 N ATOM 1176 CA ASP A 73 4.833 6.830 -6.334 1.00 0.00 C ATOM 1177 C ASP A 73 4.091 7.476 -5.168 1.00 0.00 C ATOM 1178 O ASP A 73 4.651 8.298 -4.442 1.00 0.00 O ATOM 1179 CB ASP A 73 5.205 7.892 -7.369 1.00 0.00 C ATOM 1180 CG ASP A 73 5.714 9.170 -6.731 1.00 0.00 C ATOM 1181 OD1 ASP A 73 6.673 9.094 -5.935 1.00 0.00 O ATOM 1182 OD2 ASP A 73 5.152 10.245 -7.026 1.00 0.00 O ATOM 0 H ASP A 73 3.441 6.104 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 73 5.745 6.371 -5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.969 7.493 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.333 8.118 -7.983 1.00 0.00 H new ATOM 1187 N HIS A 74 2.828 7.101 -4.996 1.00 0.00 N ATOM 1188 CA HIS A 74 2.009 7.644 -3.918 1.00 0.00 C ATOM 1189 C HIS A 74 2.550 7.219 -2.557 1.00 0.00 C ATOM 1190 O HIS A 74 2.948 6.069 -2.366 1.00 0.00 O ATOM 1191 CB HIS A 74 0.558 7.185 -4.070 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.321 7.591 -2.927 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.899 8.839 -2.829 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.722 6.905 -1.831 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.616 8.903 -1.721 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.525 7.743 -1.098 1.00 0.00 N ATOM 0 H HIS A 74 2.349 6.423 -5.589 1.00 0.00 H new ATOM 0 HA HIS A 74 2.046 8.732 -3.980 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.151 7.595 -4.994 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.537 6.099 -4.166 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.790 9.594 -3.506 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.459 5.888 -1.580 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.181 9.759 -1.383 1.00 0.00 H new ATOM 1205 N THR A 75 2.563 8.154 -1.612 1.00 0.00 N ATOM 1206 CA THR A 75 3.057 7.877 -0.269 1.00 0.00 C ATOM 1207 C THR A 75 1.951 7.321 0.620 1.00 0.00 C ATOM 1208 O THR A 75 0.831 7.832 0.628 1.00 0.00 O ATOM 1209 CB THR A 75 3.640 9.143 0.388 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.644 9.715 -0.458 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.241 8.819 1.747 1.00 0.00 C ATOM 0 H THR A 75 2.237 9.110 -1.752 1.00 0.00 H new ATOM 0 HA THR A 75 3.847 7.133 -0.371 1.00 0.00 H new ATOM 0 HB THR A 75 2.830 9.859 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.009 10.520 -0.035 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.646 9.728 2.192 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.469 8.410 2.398 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.039 8.087 1.627 1.00 0.00 H new ATOM 1219 N LEU A 76 2.272 6.272 1.369 1.00 0.00 N ATOM 1220 CA LEU A 76 1.304 5.646 2.264 1.00 0.00 C ATOM 1221 C LEU A 76 1.367 6.269 3.655 1.00 0.00 C ATOM 1222 O LEU A 76 2.357 6.902 4.017 1.00 0.00 O ATOM 1223 CB LEU A 76 1.563 4.141 2.354 1.00 0.00 C ATOM 1224 CG LEU A 76 1.062 3.302 1.178 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.697 1.920 1.199 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.456 3.194 1.209 1.00 0.00 C ATOM 0 H LEU A 76 3.195 5.837 1.375 1.00 0.00 H new ATOM 0 HA LEU A 76 0.307 5.813 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.637 3.983 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.098 3.766 3.266 1.00 0.00 H new ATOM 0 HG LEU A 76 1.353 3.799 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.328 1.337 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.780 2.016 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.438 1.415 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.795 2.594 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.768 2.721 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.893 4.190 1.144 1.00 0.00 H new ATOM 1238 N GLU A 77 0.303 6.082 4.430 1.00 0.00 N ATOM 1239 CA GLU A 77 0.238 6.624 5.782 1.00 0.00 C ATOM 1240 C GLU A 77 -0.214 5.558 6.775 1.00 0.00 C ATOM 1241 O GLU A 77 -0.748 4.519 6.386 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.716 7.820 5.830 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.191 9.047 5.104 1.00 0.00 C ATOM 1244 CD GLU A 77 0.885 9.773 5.888 1.00 0.00 C ATOM 1245 OE1 GLU A 77 1.530 9.131 6.743 1.00 0.00 O ATOM 1246 OE2 GLU A 77 1.082 10.982 5.647 1.00 0.00 O ATOM 0 H GLU A 77 -0.525 5.559 4.145 1.00 0.00 H new ATOM 0 HA GLU A 77 1.238 6.955 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.671 7.530 5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.908 8.079 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.210 8.748 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.017 9.731 4.909 1.00 0.00 H new ATOM 1253 N ASP A 78 0.004 5.823 8.058 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.382 4.888 9.109 1.00 0.00 C ATOM 1255 C ASP A 78 -1.899 4.834 9.259 1.00 0.00 C ATOM 1256 O ASP A 78 -2.579 5.853 9.145 1.00 0.00 O ATOM 1257 CB ASP A 78 0.261 5.287 10.438 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.562 4.850 11.633 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -0.536 3.645 11.964 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -1.231 5.712 12.240 1.00 0.00 O ATOM 0 H ASP A 78 0.446 6.678 8.396 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.028 3.897 8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.255 4.845 10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.390 6.369 10.465 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.421 3.639 9.515 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.859 3.454 9.679 1.00 0.00 C ATOM 1267 C GLU A 79 -4.605 3.834 8.403 1.00 0.00 C ATOM 1268 O GLU A 79 -5.585 4.579 8.444 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.372 4.290 10.852 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.941 3.763 12.210 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.274 4.718 13.340 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -4.041 5.934 13.176 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -4.767 4.250 14.387 1.00 0.00 O ATOM 0 H GLU A 79 -1.871 2.785 9.613 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.043 2.400 9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.017 5.314 10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.461 4.324 10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.427 2.805 12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.867 3.579 12.200 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.135 3.318 7.273 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.757 3.603 5.986 1.00 0.00 C ATOM 1282 C ASP A 80 -5.038 2.313 5.221 1.00 0.00 C ATOM 1283 O ASP A 80 -4.237 1.378 5.244 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.860 4.520 5.153 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.860 5.948 5.662 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -3.973 6.139 6.890 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.747 6.874 4.831 1.00 0.00 O ATOM 0 H ASP A 80 -3.325 2.700 7.222 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.705 4.108 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.841 4.134 5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.195 4.507 4.116 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.181 2.269 4.543 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.567 1.094 3.771 1.00 0.00 C ATOM 1294 C VAL A 81 -6.294 1.299 2.286 1.00 0.00 C ATOM 1295 O VAL A 81 -6.689 2.310 1.705 1.00 0.00 O ATOM 1296 CB VAL A 81 -8.058 0.760 3.966 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.438 -0.476 3.164 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.371 0.564 5.442 1.00 0.00 C ATOM 0 H VAL A 81 -6.855 3.034 4.513 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.965 0.262 4.137 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.651 1.598 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.495 -0.697 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.252 -0.294 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.840 -1.324 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.429 0.329 5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.770 -0.256 5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.139 1.479 5.988 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.616 0.332 1.676 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.291 0.406 0.257 1.00 0.00 C ATOM 1310 C ILE A 82 -5.714 -0.866 -0.470 1.00 0.00 C ATOM 1311 O ILE A 82 -5.682 -1.957 0.098 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.784 0.633 0.036 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.491 0.850 -1.451 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.986 -0.546 0.572 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -2.086 1.338 -1.725 1.00 0.00 C ATOM 0 H ILE A 82 -5.281 -0.511 2.142 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.841 1.255 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.483 1.528 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.652 -0.086 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.202 1.572 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.923 -0.370 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.175 -0.658 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.288 -1.456 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.949 1.470 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.927 2.290 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.368 0.606 -1.355 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.108 -0.717 -1.731 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.536 -1.855 -2.536 1.00 0.00 C ATOM 1329 C GLN A 83 -5.604 -2.061 -3.726 1.00 0.00 C ATOM 1330 O GLN A 83 -5.782 -1.447 -4.779 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.970 -1.649 -3.026 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.488 -2.788 -3.889 1.00 0.00 C ATOM 1333 CD GLN A 83 -9.841 -2.487 -4.503 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.669 -1.800 -3.904 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.073 -2.999 -5.706 1.00 0.00 N ATOM 0 H GLN A 83 -6.140 0.179 -2.217 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.498 -2.746 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.626 -1.530 -2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.021 -0.721 -3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.770 -2.992 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.561 -3.692 -3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.359 -3.563 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.966 -2.828 -6.169 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.612 -2.927 -3.551 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.653 -3.214 -4.611 1.00 0.00 C ATOM 1346 C ILE A 84 -4.299 -4.020 -5.733 1.00 0.00 C ATOM 1347 O ILE A 84 -4.631 -5.192 -5.558 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.435 -3.988 -4.073 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.662 -3.131 -3.068 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.531 -4.414 -5.220 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -0.912 -1.982 -3.705 1.00 0.00 C ATOM 0 H ILE A 84 -4.451 -3.442 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.319 -2.254 -5.003 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.788 -4.884 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.359 -2.735 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.954 -3.763 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.674 -4.960 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.087 -5.057 -5.902 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.183 -3.531 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.387 -1.418 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.191 -2.372 -4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.617 -1.327 -4.217 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.472 -3.383 -6.887 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.075 -4.042 -8.040 1.00 0.00 C ATOM 1365 C VAL A 85 -4.042 -4.293 -9.132 1.00 0.00 C ATOM 1366 O VAL A 85 -3.186 -3.449 -9.399 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.229 -3.205 -8.623 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -7.182 -2.767 -7.521 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -5.686 -2.002 -9.379 1.00 0.00 C ATOM 0 H VAL A 85 -4.203 -2.412 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.468 -4.997 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.785 -3.826 -9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.991 -2.177 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.597 -3.646 -7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.642 -2.164 -6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.515 -1.422 -9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.104 -1.378 -8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.049 -2.342 -10.195 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.126 -5.460 -9.761 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.200 -5.824 -10.827 1.00 0.00 C ATOM 1381 C LYS A 86 -3.897 -5.805 -12.184 1.00 0.00 C ATOM 1382 O LYS A 86 -5.036 -6.253 -12.315 1.00 0.00 O ATOM 1383 CB LYS A 86 -2.608 -7.211 -10.565 1.00 0.00 C ATOM 1384 CG LYS A 86 -1.766 -7.285 -9.303 1.00 0.00 C ATOM 1385 CD LYS A 86 -1.689 -8.704 -8.766 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.816 -8.990 -7.785 1.00 0.00 C ATOM 1387 NZ LYS A 86 -4.054 -9.441 -8.478 1.00 0.00 N ATOM 0 H LYS A 86 -4.827 -6.171 -9.551 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.395 -5.089 -10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.419 -7.935 -10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.995 -7.502 -11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.761 -6.920 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.191 -6.630 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.738 -9.411 -9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.729 -8.856 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.496 -9.756 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.031 -8.091 -7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.637 -9.997 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.592 -8.612 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.799 -10.029 -9.297 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.205 -5.285 -13.192 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.755 -5.210 -14.540 1.00 0.00 C ATOM 1403 C LYS A 87 -4.370 -6.544 -14.952 1.00 0.00 C ATOM 1404 O LYS A 87 -3.789 -7.604 -14.718 1.00 0.00 O ATOM 1405 CB LYS A 87 -2.665 -4.809 -15.536 1.00 0.00 C ATOM 1406 CG LYS A 87 -2.437 -3.310 -15.618 1.00 0.00 C ATOM 1407 CD LYS A 87 -1.101 -2.983 -16.265 1.00 0.00 C ATOM 1408 CE LYS A 87 -0.598 -1.611 -15.844 1.00 0.00 C ATOM 1409 NZ LYS A 87 0.614 -1.206 -16.608 1.00 0.00 N ATOM 0 H LYS A 87 -2.261 -4.909 -13.101 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.539 -4.452 -14.544 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.731 -5.295 -15.255 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.933 -5.182 -16.525 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.242 -2.850 -16.191 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.472 -2.881 -14.617 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.367 -3.741 -15.990 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.203 -3.017 -17.350 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.386 -0.873 -15.995 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.369 -1.619 -14.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.926 -0.266 -16.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.375 -1.896 -16.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.390 -1.173 -17.623 1.00 0.00 H new ATOM 1423 N SER A 88 -5.546 -6.483 -15.567 1.00 0.00 N ATOM 1424 CA SER A 88 -6.240 -7.687 -16.009 1.00 0.00 C ATOM 1425 C SER A 88 -5.965 -7.962 -17.485 1.00 0.00 C ATOM 1426 O SER A 88 -6.624 -7.410 -18.364 1.00 0.00 O ATOM 1427 CB SER A 88 -7.746 -7.547 -15.778 1.00 0.00 C ATOM 1428 OG SER A 88 -8.438 -8.706 -16.209 1.00 0.00 O ATOM 0 H SER A 88 -6.038 -5.613 -15.771 1.00 0.00 H new ATOM 0 HA SER A 88 -5.866 -8.527 -15.424 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.940 -7.376 -14.719 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.120 -6.675 -16.315 1.00 0.00 H new ATOM 0 HG SER A 88 -9.398 -8.592 -16.049 1.00 0.00 H new ATOM 1434 N GLY A 89 -4.983 -8.820 -17.747 1.00 0.00 N ATOM 1435 CA GLY A 89 -4.636 -9.154 -19.116 1.00 0.00 C ATOM 1436 C GLY A 89 -4.231 -10.606 -19.273 1.00 0.00 C ATOM 1437 O GLY A 89 -3.634 -11.207 -18.379 1.00 0.00 O ATOM 0 H GLY A 89 -4.422 -9.289 -17.036 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.487 -8.945 -19.765 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.818 -8.514 -19.447 1.00 0.00 H new ATOM 1441 N PRO A 90 -4.560 -11.194 -20.433 1.00 0.00 N ATOM 1442 CA PRO A 90 -4.237 -12.593 -20.732 1.00 0.00 C ATOM 1443 C PRO A 90 -2.741 -12.812 -20.931 1.00 0.00 C ATOM 1444 O PRO A 90 -2.168 -12.379 -21.931 1.00 0.00 O ATOM 1445 CB PRO A 90 -4.995 -12.862 -22.034 1.00 0.00 C ATOM 1446 CG PRO A 90 -5.139 -11.523 -22.672 1.00 0.00 C ATOM 1447 CD PRO A 90 -5.271 -10.538 -21.543 1.00 0.00 C ATOM 0 HA PRO A 90 -4.516 -13.259 -19.916 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.446 -13.550 -22.677 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.967 -13.315 -21.840 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.273 -11.291 -23.293 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.014 -11.492 -23.321 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.824 -9.576 -21.794 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.315 -10.349 -21.295 1.00 0.00 H new ATOM 1455 N SER A 91 -2.114 -13.488 -19.974 1.00 0.00 N ATOM 1456 CA SER A 91 -0.683 -13.762 -20.043 1.00 0.00 C ATOM 1457 C SER A 91 -0.408 -14.997 -20.896 1.00 0.00 C ATOM 1458 O SER A 91 0.449 -15.816 -20.564 1.00 0.00 O ATOM 1459 CB SER A 91 -0.112 -13.961 -18.638 1.00 0.00 C ATOM 1460 OG SER A 91 -0.338 -12.820 -17.829 1.00 0.00 O ATOM 0 H SER A 91 -2.574 -13.856 -19.141 1.00 0.00 H new ATOM 0 HA SER A 91 -0.195 -12.905 -20.507 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.571 -14.835 -18.176 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.958 -14.159 -18.702 1.00 0.00 H new ATOM 0 HG SER A 91 0.035 -12.973 -16.936 1.00 0.00 H new ATOM 1466 N SER A 92 -1.141 -15.123 -21.997 1.00 0.00 N ATOM 1467 CA SER A 92 -0.979 -16.259 -22.897 1.00 0.00 C ATOM 1468 C SER A 92 -1.335 -15.872 -24.330 1.00 0.00 C ATOM 1469 O SER A 92 -2.400 -15.314 -24.588 1.00 0.00 O ATOM 1470 CB SER A 92 -1.855 -17.427 -22.440 1.00 0.00 C ATOM 1471 OG SER A 92 -1.213 -18.181 -21.427 1.00 0.00 O ATOM 0 H SER A 92 -1.853 -14.453 -22.288 1.00 0.00 H new ATOM 0 HA SER A 92 0.067 -16.566 -22.871 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.807 -17.048 -22.067 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.080 -18.071 -23.290 1.00 0.00 H new ATOM 0 HG SER A 92 -0.536 -17.627 -20.986 1.00 0.00 H new ATOM 1477 N GLY A 93 -0.432 -16.174 -25.259 1.00 0.00 N ATOM 1478 CA GLY A 93 -0.667 -15.850 -26.654 1.00 0.00 C ATOM 1479 C GLY A 93 0.469 -16.298 -27.552 1.00 0.00 C ATOM 1480 O GLY A 93 0.534 -17.462 -27.948 1.00 0.00 O ATOM 0 H GLY A 93 0.457 -16.637 -25.070 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.593 -16.321 -26.982 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.804 -14.773 -26.756 1.00 0.00 H new TER 1484 GLY A 93