USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 744 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 81 LYS NZ :NH3+ -146:sc= 0.633 (180deg=0) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.533 USER MOD Set 2.1: A 9 SER OG : rot 91:sc= 1.51 USER MOD Set 2.2: A 51 ASN : amide:sc= 0.082 K(o=1.6,f=0.94) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -4.21! C(o=-5.6!,f=-3.7!) USER MOD Set 3.2: A 45 SER OG : rot -38:sc= -1.39 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0728 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.58) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -128:sc= -2.65! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00709 K(o=-0.0071,f=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 161:sc=-0.00149 (180deg=-0.601) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= -0.0586 (180deg=-1.71!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -149:sc= -0.171 (180deg=-1.28!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 150:sc= -0.702 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.17) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -136:sc= 0.269 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -173:sc= -0.0843 (180deg=-0.121) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 110:sc= -0.106 USER MOD Single : A 82 SER OG : rot -150:sc= -0.464 USER MOD Single : A 87 HIS : no HE2:sc= -6.11! C(o=-6.1!,f=-7.9!) USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= -0.586 (180deg=-0.716) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.166 -1.627 -5.029 1.00 1.12 N ATOM 2 CA GLY A 1 0.771 -0.717 -5.662 1.00 4.22 C ATOM 3 C GLY A 1 1.132 0.455 -4.771 1.00 3.35 C ATOM 4 O GLY A 1 0.540 0.663 -3.712 1.00 15.43 O ATOM 0 H1 GLY A 1 0.275 -2.563 -4.926 1.00 1.12 H new ATOM 0 H2 GLY A 1 -0.425 -1.261 -4.091 1.00 1.12 H new ATOM 0 H3 GLY A 1 -1.020 -1.710 -5.616 1.00 1.12 H new ATOM 0 HA2 GLY A 1 1.678 -1.261 -5.927 1.00 4.22 H new ATOM 0 HA3 GLY A 1 0.339 -0.344 -6.591 1.00 4.22 H new ATOM 8 N PRO A 2 2.130 1.244 -5.199 1.00 35.13 N ATOM 9 CA PRO A 2 2.592 2.414 -4.447 1.00 22.32 C ATOM 10 C PRO A 2 1.568 3.543 -4.444 1.00 15.25 C ATOM 11 O PRO A 2 0.493 3.421 -5.031 1.00 43.44 O ATOM 12 CB PRO A 2 3.856 2.840 -5.197 1.00 3.24 C ATOM 13 CG PRO A 2 3.665 2.332 -6.584 1.00 34.34 C ATOM 14 CD PRO A 2 2.881 1.055 -6.451 1.00 61.42 C ATOM 0 HA PRO A 2 2.761 2.182 -3.395 1.00 22.32 H new ATOM 0 HB2 PRO A 2 3.977 3.923 -5.186 1.00 3.24 H new ATOM 0 HB3 PRO A 2 4.749 2.415 -4.740 1.00 3.24 H new ATOM 0 HG2 PRO A 2 3.129 3.058 -7.195 1.00 34.34 H new ATOM 0 HG3 PRO A 2 4.624 2.153 -7.070 1.00 34.34 H new ATOM 0 HD2 PRO A 2 2.215 0.902 -7.300 1.00 61.42 H new ATOM 0 HD3 PRO A 2 3.536 0.185 -6.399 1.00 61.42 H new ATOM 22 N SER A 3 1.908 4.643 -3.780 1.00 3.23 N ATOM 23 CA SER A 3 1.017 5.794 -3.697 1.00 55.14 C ATOM 24 C SER A 3 1.276 6.766 -4.845 1.00 33.22 C ATOM 25 O SER A 3 2.156 7.621 -4.760 1.00 61.24 O ATOM 26 CB SER A 3 1.195 6.510 -2.358 1.00 13.13 C ATOM 27 OG SER A 3 0.929 5.637 -1.274 1.00 23.14 O ATOM 0 H SER A 3 2.795 4.761 -3.291 1.00 3.23 H new ATOM 0 HA SER A 3 -0.009 5.433 -3.773 1.00 55.14 H new ATOM 0 HB2 SER A 3 2.212 6.893 -2.279 1.00 13.13 H new ATOM 0 HB3 SER A 3 0.526 7.369 -2.310 1.00 13.13 H new ATOM 0 HG SER A 3 1.051 6.118 -0.429 1.00 23.14 H new ATOM 33 N ASN A 4 0.503 6.626 -5.917 1.00 2.05 N ATOM 34 CA ASN A 4 0.649 7.490 -7.082 1.00 60.32 C ATOM 35 C ASN A 4 -0.606 8.331 -7.297 1.00 60.53 C ATOM 36 O ASN A 4 -0.525 9.530 -7.564 1.00 61.44 O ATOM 37 CB ASN A 4 0.937 6.653 -8.331 1.00 55.20 C ATOM 38 CG ASN A 4 0.914 7.483 -9.600 1.00 42.24 C ATOM 39 OD1 ASN A 4 0.230 7.143 -10.565 1.00 74.23 O ATOM 40 ND2 ASN A 4 1.666 8.578 -9.605 1.00 35.23 N ATOM 0 H ASN A 4 -0.231 5.923 -6.003 1.00 2.05 H new ATOM 0 HA ASN A 4 1.488 8.162 -6.902 1.00 60.32 H new ATOM 0 HB2 ASN A 4 1.912 6.177 -8.229 1.00 55.20 H new ATOM 0 HB3 ASN A 4 0.199 5.855 -8.409 1.00 55.20 H new ATOM 0 HD21 ASN A 4 1.692 9.175 -10.432 1.00 35.23 H new ATOM 0 HD22 ASN A 4 2.217 8.822 -8.782 1.00 35.23 H new ATOM 47 N LYS A 5 -1.765 7.693 -7.178 1.00 14.24 N ATOM 48 CA LYS A 5 -3.039 8.381 -7.356 1.00 11.42 C ATOM 49 C LYS A 5 -4.046 7.943 -6.299 1.00 34.22 C ATOM 50 O LYS A 5 -3.907 6.877 -5.699 1.00 20.43 O ATOM 51 CB LYS A 5 -3.598 8.107 -8.753 1.00 41.22 C ATOM 52 CG LYS A 5 -3.064 6.832 -9.383 1.00 73.50 C ATOM 53 CD LYS A 5 -3.408 5.611 -8.546 1.00 75.51 C ATOM 54 CE LYS A 5 -3.908 4.465 -9.412 1.00 23.53 C ATOM 55 NZ LYS A 5 -3.600 3.138 -8.808 1.00 11.31 N ATOM 0 H LYS A 5 -1.849 6.700 -6.959 1.00 14.24 H new ATOM 0 HA LYS A 5 -2.865 9.451 -7.244 1.00 11.42 H new ATOM 0 HB2 LYS A 5 -4.685 8.046 -8.695 1.00 41.22 H new ATOM 0 HB3 LYS A 5 -3.361 8.950 -9.402 1.00 41.22 H new ATOM 0 HG2 LYS A 5 -3.480 6.717 -10.384 1.00 73.50 H new ATOM 0 HG3 LYS A 5 -1.982 6.905 -9.494 1.00 73.50 H new ATOM 0 HD2 LYS A 5 -2.528 5.290 -7.989 1.00 75.51 H new ATOM 0 HD3 LYS A 5 -4.171 5.874 -7.813 1.00 75.51 H new ATOM 0 HE2 LYS A 5 -4.985 4.559 -9.553 1.00 23.53 H new ATOM 0 HE3 LYS A 5 -3.451 4.530 -10.399 1.00 23.53 H new ATOM 0 HZ1 LYS A 5 -3.957 2.383 -9.428 1.00 11.31 H new ATOM 0 HZ2 LYS A 5 -2.571 3.038 -8.697 1.00 11.31 H new ATOM 0 HZ3 LYS A 5 -4.057 3.066 -7.877 1.00 11.31 H new ATOM 69 N ILE A 6 -5.062 8.770 -6.077 1.00 15.03 N ATOM 70 CA ILE A 6 -6.094 8.466 -5.094 1.00 13.32 C ATOM 71 C ILE A 6 -7.425 9.103 -5.479 1.00 72.43 C ATOM 72 O ILE A 6 -7.464 10.113 -6.181 1.00 23.52 O ATOM 73 CB ILE A 6 -5.694 8.952 -3.688 1.00 33.55 C ATOM 74 CG1 ILE A 6 -5.458 10.463 -3.694 1.00 62.14 C ATOM 75 CG2 ILE A 6 -4.451 8.217 -3.208 1.00 1.42 C ATOM 76 CD1 ILE A 6 -5.748 11.126 -2.367 1.00 31.11 C ATOM 0 H ILE A 6 -5.192 9.656 -6.565 1.00 15.03 H new ATOM 0 HA ILE A 6 -6.203 7.382 -5.078 1.00 13.32 H new ATOM 0 HB ILE A 6 -6.510 8.735 -2.999 1.00 33.55 H new ATOM 0 HG12 ILE A 6 -4.422 10.659 -3.970 1.00 62.14 H new ATOM 0 HG13 ILE A 6 -6.084 10.917 -4.462 1.00 62.14 H new ATOM 0 HG21 ILE A 6 -4.180 8.571 -2.213 1.00 1.42 H new ATOM 0 HG22 ILE A 6 -4.653 7.147 -3.170 1.00 1.42 H new ATOM 0 HG23 ILE A 6 -3.628 8.406 -3.897 1.00 1.42 H new ATOM 0 HD11 ILE A 6 -5.559 12.197 -2.446 1.00 31.11 H new ATOM 0 HD12 ILE A 6 -6.791 10.961 -2.098 1.00 31.11 H new ATOM 0 HD13 ILE A 6 -5.103 10.699 -1.599 1.00 31.11 H new ATOM 88 N LYS A 7 -8.517 8.505 -5.013 1.00 74.34 N ATOM 89 CA LYS A 7 -9.852 9.014 -5.305 1.00 63.42 C ATOM 90 C LYS A 7 -10.164 10.242 -4.457 1.00 42.22 C ATOM 91 O LYS A 7 -9.741 10.336 -3.305 1.00 0.31 O ATOM 92 CB LYS A 7 -10.900 7.928 -5.054 1.00 74.35 C ATOM 93 CG LYS A 7 -11.780 7.641 -6.259 1.00 41.14 C ATOM 94 CD LYS A 7 -13.121 7.059 -5.846 1.00 4.24 C ATOM 95 CE LYS A 7 -14.278 7.889 -6.382 1.00 24.44 C ATOM 96 NZ LYS A 7 -15.467 7.048 -6.690 1.00 13.30 N ATOM 0 H LYS A 7 -8.503 7.667 -4.431 1.00 74.34 H new ATOM 0 HA LYS A 7 -9.881 9.303 -6.356 1.00 63.42 H new ATOM 0 HB2 LYS A 7 -10.395 7.009 -4.757 1.00 74.35 H new ATOM 0 HB3 LYS A 7 -11.531 8.230 -4.218 1.00 74.35 H new ATOM 0 HG2 LYS A 7 -11.940 8.561 -6.821 1.00 41.14 H new ATOM 0 HG3 LYS A 7 -11.270 6.945 -6.925 1.00 41.14 H new ATOM 0 HD2 LYS A 7 -13.204 6.037 -6.214 1.00 4.24 H new ATOM 0 HD3 LYS A 7 -13.179 7.012 -4.759 1.00 4.24 H new ATOM 0 HE2 LYS A 7 -14.550 8.649 -5.649 1.00 24.44 H new ATOM 0 HE3 LYS A 7 -13.961 8.414 -7.283 1.00 24.44 H new ATOM 0 HZ1 LYS A 7 -16.234 7.650 -7.053 1.00 13.30 H new ATOM 0 HZ2 LYS A 7 -15.214 6.339 -7.408 1.00 13.30 H new ATOM 0 HZ3 LYS A 7 -15.785 6.566 -5.825 1.00 13.30 H new ATOM 110 N CYS A 8 -10.906 11.182 -5.033 1.00 71.44 N ATOM 111 CA CYS A 8 -11.275 12.405 -4.330 1.00 32.53 C ATOM 112 C CYS A 8 -12.210 13.259 -5.178 1.00 53.45 C ATOM 113 O CYS A 8 -12.286 13.094 -6.396 1.00 24.30 O ATOM 114 CB CYS A 8 -10.024 13.204 -3.964 1.00 20.23 C ATOM 115 SG CYS A 8 -9.039 13.723 -5.388 1.00 4.41 S ATOM 0 H CYS A 8 -11.264 11.120 -5.986 1.00 71.44 H new ATOM 0 HA CYS A 8 -11.799 12.126 -3.416 1.00 32.53 H new ATOM 0 HB2 CYS A 8 -10.322 14.088 -3.400 1.00 20.23 H new ATOM 0 HB3 CYS A 8 -9.400 12.601 -3.304 1.00 20.23 H new ATOM 0 HG CYS A 8 -7.801 13.368 -5.212 1.00 4.41 H new ATOM 121 N SER A 9 -12.922 14.173 -4.527 1.00 55.25 N ATOM 122 CA SER A 9 -13.858 15.051 -5.221 1.00 23.31 C ATOM 123 C SER A 9 -13.486 16.515 -5.012 1.00 5.22 C ATOM 124 O SER A 9 -12.400 16.828 -4.521 1.00 52.22 O ATOM 125 CB SER A 9 -15.285 14.801 -4.731 1.00 21.23 C ATOM 126 OG SER A 9 -15.622 13.427 -4.819 1.00 64.22 O ATOM 0 H SER A 9 -12.869 14.325 -3.520 1.00 55.25 H new ATOM 0 HA SER A 9 -13.804 14.829 -6.287 1.00 23.31 H new ATOM 0 HB2 SER A 9 -15.382 15.137 -3.699 1.00 21.23 H new ATOM 0 HB3 SER A 9 -15.985 15.389 -5.325 1.00 21.23 H new ATOM 0 HG SER A 9 -15.392 12.979 -3.978 1.00 64.22 H new ATOM 132 N HIS A 10 -14.394 17.410 -5.388 1.00 61.41 N ATOM 133 CA HIS A 10 -14.162 18.843 -5.242 1.00 33.23 C ATOM 134 C HIS A 10 -15.437 19.632 -5.527 1.00 24.52 C ATOM 135 O HIS A 10 -16.217 19.269 -6.408 1.00 10.21 O ATOM 136 CB HIS A 10 -13.046 19.299 -6.181 1.00 3.03 C ATOM 137 CG HIS A 10 -13.353 19.076 -7.630 1.00 42.11 C ATOM 138 ND1 HIS A 10 -13.543 20.106 -8.526 1.00 65.22 N ATOM 139 CD2 HIS A 10 -13.501 17.932 -8.337 1.00 34.31 C ATOM 140 CE1 HIS A 10 -13.797 19.606 -9.722 1.00 73.53 C ATOM 141 NE2 HIS A 10 -13.777 18.287 -9.635 1.00 31.11 N ATOM 0 H HIS A 10 -15.297 17.168 -5.796 1.00 61.41 H new ATOM 0 HA HIS A 10 -13.860 19.034 -4.212 1.00 33.23 H new ATOM 0 HB2 HIS A 10 -12.856 20.360 -6.018 1.00 3.03 H new ATOM 0 HB3 HIS A 10 -12.129 18.768 -5.927 1.00 3.03 H new ATOM 0 HD2 HIS A 10 -13.418 16.926 -7.952 1.00 34.31 H new ATOM 0 HE1 HIS A 10 -13.988 20.177 -10.618 1.00 73.53 H new ATOM 0 HE2 HIS A 10 -13.940 17.639 -10.406 1.00 31.11 H new ATOM 149 N ILE A 11 -15.641 20.708 -4.776 1.00 64.33 N ATOM 150 CA ILE A 11 -16.820 21.546 -4.950 1.00 12.44 C ATOM 151 C ILE A 11 -16.468 23.024 -4.819 1.00 10.24 C ATOM 152 O ILE A 11 -15.926 23.458 -3.802 1.00 25.54 O ATOM 153 CB ILE A 11 -17.914 21.199 -3.922 1.00 74.44 C ATOM 154 CG1 ILE A 11 -18.444 19.784 -4.168 1.00 2.32 C ATOM 155 CG2 ILE A 11 -19.046 22.213 -3.990 1.00 51.52 C ATOM 156 CD1 ILE A 11 -19.372 19.290 -3.081 1.00 32.13 C ATOM 0 H ILE A 11 -15.006 21.020 -4.042 1.00 64.33 H new ATOM 0 HA ILE A 11 -17.199 21.352 -5.953 1.00 12.44 H new ATOM 0 HB ILE A 11 -17.479 21.236 -2.923 1.00 74.44 H new ATOM 0 HG12 ILE A 11 -18.971 19.763 -5.122 1.00 2.32 H new ATOM 0 HG13 ILE A 11 -17.601 19.099 -4.254 1.00 2.32 H new ATOM 0 HG21 ILE A 11 -19.811 21.954 -3.258 1.00 51.52 H new ATOM 0 HG22 ILE A 11 -18.657 23.208 -3.772 1.00 51.52 H new ATOM 0 HG23 ILE A 11 -19.482 22.205 -4.989 1.00 51.52 H new ATOM 0 HD11 ILE A 11 -19.709 18.282 -3.321 1.00 32.13 H new ATOM 0 HD12 ILE A 11 -18.843 19.279 -2.128 1.00 32.13 H new ATOM 0 HD13 ILE A 11 -20.234 19.953 -3.009 1.00 32.13 H new ATOM 168 N LEU A 12 -16.782 23.795 -5.854 1.00 10.11 N ATOM 169 CA LEU A 12 -16.500 25.227 -5.856 1.00 72.52 C ATOM 170 C LEU A 12 -17.759 26.030 -5.547 1.00 34.03 C ATOM 171 O LEU A 12 -18.810 25.814 -6.152 1.00 1.24 O ATOM 172 CB LEU A 12 -15.930 25.653 -7.210 1.00 30.40 C ATOM 173 CG LEU A 12 -14.405 25.647 -7.327 1.00 72.22 C ATOM 174 CD1 LEU A 12 -13.786 26.565 -6.285 1.00 41.15 C ATOM 175 CD2 LEU A 12 -13.865 24.232 -7.182 1.00 63.43 C ATOM 0 H LEU A 12 -17.232 23.453 -6.703 1.00 10.11 H new ATOM 0 HA LEU A 12 -15.763 25.428 -5.079 1.00 72.52 H new ATOM 0 HB2 LEU A 12 -16.336 24.993 -7.977 1.00 30.40 H new ATOM 0 HB3 LEU A 12 -16.288 26.658 -7.433 1.00 30.40 H new ATOM 0 HG LEU A 12 -14.134 26.019 -8.315 1.00 72.22 H new ATOM 0 HD11 LEU A 12 -12.701 26.548 -6.384 1.00 41.15 H new ATOM 0 HD12 LEU A 12 -14.148 27.582 -6.435 1.00 41.15 H new ATOM 0 HD13 LEU A 12 -14.065 26.224 -5.288 1.00 41.15 H new ATOM 0 HD21 LEU A 12 -12.778 24.247 -7.268 1.00 63.43 H new ATOM 0 HD22 LEU A 12 -14.147 23.833 -6.207 1.00 63.43 H new ATOM 0 HD23 LEU A 12 -14.282 23.601 -7.967 1.00 63.43 H new ATOM 187 N VAL A 13 -17.646 26.958 -4.602 1.00 54.21 N ATOM 188 CA VAL A 13 -18.775 27.796 -4.214 1.00 2.34 C ATOM 189 C VAL A 13 -18.389 29.271 -4.214 1.00 34.20 C ATOM 190 O VAL A 13 -17.279 29.634 -4.604 1.00 30.42 O ATOM 191 CB VAL A 13 -19.304 27.415 -2.818 1.00 44.15 C ATOM 192 CG1 VAL A 13 -19.745 25.959 -2.794 1.00 12.33 C ATOM 193 CG2 VAL A 13 -18.245 27.678 -1.758 1.00 50.15 C ATOM 0 H VAL A 13 -16.784 27.149 -4.091 1.00 54.21 H new ATOM 0 HA VAL A 13 -19.561 27.629 -4.950 1.00 2.34 H new ATOM 0 HB VAL A 13 -20.171 28.036 -2.594 1.00 44.15 H new ATOM 0 HG11 VAL A 13 -20.116 25.707 -1.800 1.00 12.33 H new ATOM 0 HG12 VAL A 13 -20.538 25.807 -3.526 1.00 12.33 H new ATOM 0 HG13 VAL A 13 -18.898 25.318 -3.038 1.00 12.33 H new ATOM 0 HG21 VAL A 13 -18.635 27.403 -0.778 1.00 50.15 H new ATOM 0 HG22 VAL A 13 -17.358 27.083 -1.975 1.00 50.15 H new ATOM 0 HG23 VAL A 13 -17.982 28.736 -1.761 1.00 50.15 H new ATOM 203 N SER A 14 -19.314 30.119 -3.774 1.00 72.12 N ATOM 204 CA SER A 14 -19.073 31.556 -3.726 1.00 64.44 C ATOM 205 C SER A 14 -18.999 32.047 -2.284 1.00 10.33 C ATOM 206 O SER A 14 -18.395 33.080 -1.997 1.00 43.31 O ATOM 207 CB SER A 14 -20.175 32.305 -4.477 1.00 33.04 C ATOM 208 OG SER A 14 -19.806 33.653 -4.716 1.00 23.42 O ATOM 0 H SER A 14 -20.237 29.835 -3.446 1.00 72.12 H new ATOM 0 HA SER A 14 -18.116 31.755 -4.208 1.00 64.44 H new ATOM 0 HB2 SER A 14 -20.376 31.806 -5.425 1.00 33.04 H new ATOM 0 HB3 SER A 14 -21.098 32.275 -3.899 1.00 33.04 H new ATOM 0 HG SER A 14 -20.527 34.109 -5.199 1.00 23.42 H new ATOM 214 N LYS A 15 -19.621 31.298 -1.379 1.00 3.24 N ATOM 215 CA LYS A 15 -19.627 31.654 0.035 1.00 4.10 C ATOM 216 C LYS A 15 -19.280 30.447 0.901 1.00 1.23 C ATOM 217 O LYS A 15 -19.499 29.304 0.502 1.00 31.03 O ATOM 218 CB LYS A 15 -20.995 32.208 0.437 1.00 74.02 C ATOM 219 CG LYS A 15 -21.530 33.260 -0.519 1.00 33.10 C ATOM 220 CD LYS A 15 -22.787 33.919 0.024 1.00 34.11 C ATOM 221 CE LYS A 15 -24.043 33.231 -0.487 1.00 71.15 C ATOM 222 NZ LYS A 15 -25.169 34.191 -0.663 1.00 61.44 N ATOM 0 H LYS A 15 -20.127 30.441 -1.600 1.00 3.24 H new ATOM 0 HA LYS A 15 -18.870 32.422 0.194 1.00 4.10 H new ATOM 0 HB2 LYS A 15 -21.708 31.386 0.495 1.00 74.02 H new ATOM 0 HB3 LYS A 15 -20.924 32.639 1.436 1.00 74.02 H new ATOM 0 HG2 LYS A 15 -20.766 34.018 -0.692 1.00 33.10 H new ATOM 0 HG3 LYS A 15 -21.747 32.800 -1.483 1.00 33.10 H new ATOM 0 HD2 LYS A 15 -22.773 33.890 1.114 1.00 34.11 H new ATOM 0 HD3 LYS A 15 -22.803 34.969 -0.266 1.00 34.11 H new ATOM 0 HE2 LYS A 15 -23.829 32.744 -1.438 1.00 71.15 H new ATOM 0 HE3 LYS A 15 -24.339 32.449 0.212 1.00 71.15 H new ATOM 0 HZ1 LYS A 15 -26.007 33.683 -1.013 1.00 61.44 H new ATOM 0 HZ2 LYS A 15 -25.391 34.637 0.250 1.00 61.44 H new ATOM 0 HZ3 LYS A 15 -24.897 34.923 -1.349 1.00 61.44 H new ATOM 236 N GLN A 16 -18.741 30.711 2.087 1.00 41.32 N ATOM 237 CA GLN A 16 -18.366 29.645 3.009 1.00 11.52 C ATOM 238 C GLN A 16 -19.598 28.896 3.505 1.00 30.01 C ATOM 239 O GLN A 16 -19.514 27.731 3.892 1.00 23.32 O ATOM 240 CB GLN A 16 -17.591 30.219 4.197 1.00 25.40 C ATOM 241 CG GLN A 16 -16.123 30.477 3.897 1.00 12.33 C ATOM 242 CD GLN A 16 -15.239 30.300 5.117 1.00 64.25 C ATOM 243 OE1 GLN A 16 -14.992 29.177 5.560 1.00 11.53 O ATOM 244 NE2 GLN A 16 -14.756 31.408 5.664 1.00 13.14 N ATOM 0 H GLN A 16 -18.554 31.653 2.432 1.00 41.32 H new ATOM 0 HA GLN A 16 -17.728 28.943 2.473 1.00 11.52 H new ATOM 0 HB2 GLN A 16 -18.059 31.153 4.509 1.00 25.40 H new ATOM 0 HB3 GLN A 16 -17.666 29.529 5.037 1.00 25.40 H new ATOM 0 HG2 GLN A 16 -15.792 29.798 3.111 1.00 12.33 H new ATOM 0 HG3 GLN A 16 -16.007 31.490 3.513 1.00 12.33 H new ATOM 0 HE21 GLN A 16 -14.987 32.317 5.263 1.00 13.14 H new ATOM 0 HE22 GLN A 16 -14.154 31.351 6.485 1.00 13.14 H new ATOM 253 N SER A 17 -20.742 29.573 3.491 1.00 44.11 N ATOM 254 CA SER A 17 -21.991 28.972 3.944 1.00 73.25 C ATOM 255 C SER A 17 -22.342 27.749 3.102 1.00 44.21 C ATOM 256 O SER A 17 -23.082 26.870 3.543 1.00 44.11 O ATOM 257 CB SER A 17 -23.127 29.995 3.876 1.00 72.23 C ATOM 258 OG SER A 17 -24.390 29.353 3.851 1.00 23.44 O ATOM 0 H SER A 17 -20.830 30.538 3.171 1.00 44.11 H new ATOM 0 HA SER A 17 -21.859 28.654 4.978 1.00 73.25 H new ATOM 0 HB2 SER A 17 -23.072 30.662 4.736 1.00 72.23 H new ATOM 0 HB3 SER A 17 -23.012 30.613 2.985 1.00 72.23 H new ATOM 0 HG SER A 17 -25.099 30.028 3.809 1.00 23.44 H new ATOM 264 N GLU A 18 -21.805 27.700 1.886 1.00 12.54 N ATOM 265 CA GLU A 18 -22.062 26.586 0.982 1.00 30.02 C ATOM 266 C GLU A 18 -20.945 25.550 1.064 1.00 65.24 C ATOM 267 O GLU A 18 -21.200 24.356 1.214 1.00 1.54 O ATOM 268 CB GLU A 18 -22.201 27.089 -0.456 1.00 51.14 C ATOM 269 CG GLU A 18 -23.395 28.005 -0.668 1.00 14.42 C ATOM 270 CD GLU A 18 -22.989 29.415 -1.050 1.00 3.11 C ATOM 271 OE1 GLU A 18 -22.062 29.563 -1.873 1.00 63.32 O ATOM 272 OE2 GLU A 18 -23.598 30.370 -0.526 1.00 54.43 O ATOM 0 H GLU A 18 -21.190 28.419 1.505 1.00 12.54 H new ATOM 0 HA GLU A 18 -22.996 26.113 1.286 1.00 30.02 H new ATOM 0 HB2 GLU A 18 -21.292 27.621 -0.735 1.00 51.14 H new ATOM 0 HB3 GLU A 18 -22.288 26.233 -1.125 1.00 51.14 H new ATOM 0 HG2 GLU A 18 -24.032 27.590 -1.449 1.00 14.42 H new ATOM 0 HG3 GLU A 18 -23.990 28.037 0.245 1.00 14.42 H new ATOM 279 N ALA A 19 -19.704 26.017 0.963 1.00 50.52 N ATOM 280 CA ALA A 19 -18.547 25.133 1.026 1.00 23.34 C ATOM 281 C ALA A 19 -18.461 24.439 2.382 1.00 30.40 C ATOM 282 O ALA A 19 -18.369 23.213 2.459 1.00 52.14 O ATOM 283 CB ALA A 19 -17.271 25.912 0.749 1.00 1.21 C ATOM 0 H ALA A 19 -19.475 27.003 0.837 1.00 50.52 H new ATOM 0 HA ALA A 19 -18.664 24.366 0.260 1.00 23.34 H new ATOM 0 HB1 ALA A 19 -16.415 25.239 0.800 1.00 1.21 H new ATOM 0 HB2 ALA A 19 -17.325 26.357 -0.245 1.00 1.21 H new ATOM 0 HB3 ALA A 19 -17.157 26.700 1.493 1.00 1.21 H new ATOM 289 N LEU A 20 -18.490 25.230 3.449 1.00 34.04 N ATOM 290 CA LEU A 20 -18.414 24.691 4.803 1.00 41.24 C ATOM 291 C LEU A 20 -19.604 23.782 5.094 1.00 33.11 C ATOM 292 O LEU A 20 -19.541 22.923 5.974 1.00 70.04 O ATOM 293 CB LEU A 20 -18.365 25.829 5.824 1.00 73.23 C ATOM 294 CG LEU A 20 -17.462 25.604 7.037 1.00 14.20 C ATOM 295 CD1 LEU A 20 -17.970 24.439 7.871 1.00 30.00 C ATOM 296 CD2 LEU A 20 -16.027 25.361 6.595 1.00 50.13 C ATOM 0 H LEU A 20 -18.566 26.246 3.403 1.00 34.04 H new ATOM 0 HA LEU A 20 -17.501 24.101 4.882 1.00 41.24 H new ATOM 0 HB2 LEU A 20 -18.035 26.734 5.314 1.00 73.23 H new ATOM 0 HB3 LEU A 20 -19.378 26.015 6.180 1.00 73.23 H new ATOM 0 HG LEU A 20 -17.483 26.502 7.654 1.00 14.20 H new ATOM 0 HD11 LEU A 20 -17.315 24.294 8.730 1.00 30.00 H new ATOM 0 HD12 LEU A 20 -18.981 24.653 8.218 1.00 30.00 H new ATOM 0 HD13 LEU A 20 -17.979 23.534 7.264 1.00 30.00 H new ATOM 0 HD21 LEU A 20 -15.398 25.203 7.471 1.00 50.13 H new ATOM 0 HD22 LEU A 20 -15.988 24.479 5.956 1.00 50.13 H new ATOM 0 HD23 LEU A 20 -15.665 26.227 6.041 1.00 50.13 H new ATOM 308 N ALA A 21 -20.687 23.977 4.349 1.00 70.42 N ATOM 309 CA ALA A 21 -21.889 23.171 4.525 1.00 34.11 C ATOM 310 C ALA A 21 -21.700 21.769 3.955 1.00 1.10 C ATOM 311 O ALA A 21 -22.546 20.894 4.141 1.00 24.31 O ATOM 312 CB ALA A 21 -23.082 23.852 3.869 1.00 42.42 C ATOM 0 H ALA A 21 -20.757 24.685 3.618 1.00 70.42 H new ATOM 0 HA ALA A 21 -22.079 23.077 5.594 1.00 34.11 H new ATOM 0 HB1 ALA A 21 -23.973 23.239 4.008 1.00 42.42 H new ATOM 0 HB2 ALA A 21 -23.239 24.829 4.325 1.00 42.42 H new ATOM 0 HB3 ALA A 21 -22.890 23.976 2.803 1.00 42.42 H new ATOM 318 N ILE A 22 -20.586 21.564 3.261 1.00 22.42 N ATOM 319 CA ILE A 22 -20.286 20.268 2.665 1.00 64.25 C ATOM 320 C ILE A 22 -19.790 19.281 3.717 1.00 63.44 C ATOM 321 O ILE A 22 -19.844 18.068 3.518 1.00 75.22 O ATOM 322 CB ILE A 22 -19.228 20.391 1.553 1.00 63.31 C ATOM 323 CG1 ILE A 22 -19.703 21.364 0.473 1.00 45.22 C ATOM 324 CG2 ILE A 22 -18.931 19.025 0.951 1.00 42.55 C ATOM 325 CD1 ILE A 22 -21.017 20.968 -0.162 1.00 43.41 C ATOM 0 H ILE A 22 -19.876 22.278 3.098 1.00 22.42 H new ATOM 0 HA ILE A 22 -21.215 19.897 2.232 1.00 64.25 H new ATOM 0 HB ILE A 22 -18.308 20.782 1.988 1.00 63.31 H new ATOM 0 HG12 ILE A 22 -19.805 22.357 0.910 1.00 45.22 H new ATOM 0 HG13 ILE A 22 -18.940 21.434 -0.303 1.00 45.22 H new ATOM 0 HG21 ILE A 22 -18.181 19.128 0.166 1.00 42.55 H new ATOM 0 HG22 ILE A 22 -18.554 18.359 1.728 1.00 42.55 H new ATOM 0 HG23 ILE A 22 -19.844 18.608 0.527 1.00 42.55 H new ATOM 0 HD11 ILE A 22 -21.292 21.703 -0.918 1.00 43.41 H new ATOM 0 HD12 ILE A 22 -20.915 19.988 -0.629 1.00 43.41 H new ATOM 0 HD13 ILE A 22 -21.793 20.927 0.603 1.00 43.41 H new ATOM 337 N MET A 23 -19.307 19.810 4.835 1.00 12.24 N ATOM 338 CA MET A 23 -18.805 18.974 5.920 1.00 1.40 C ATOM 339 C MET A 23 -19.841 18.844 7.032 1.00 74.34 C ATOM 340 O MET A 23 -19.600 18.186 8.042 1.00 34.12 O ATOM 341 CB MET A 23 -17.508 19.559 6.483 1.00 4.14 C ATOM 342 CG MET A 23 -17.684 20.930 7.117 1.00 14.33 C ATOM 343 SD MET A 23 -16.524 21.226 8.466 1.00 44.44 S ATOM 344 CE MET A 23 -14.991 20.673 7.721 1.00 2.12 C ATOM 0 H MET A 23 -19.252 20.813 5.014 1.00 12.24 H new ATOM 0 HA MET A 23 -18.605 17.981 5.517 1.00 1.40 H new ATOM 0 HB2 MET A 23 -17.103 18.873 7.227 1.00 4.14 H new ATOM 0 HB3 MET A 23 -16.773 19.630 5.681 1.00 4.14 H new ATOM 0 HG2 MET A 23 -17.552 21.698 6.355 1.00 14.33 H new ATOM 0 HG3 MET A 23 -18.703 21.024 7.492 1.00 14.33 H new ATOM 0 HE1 MET A 23 -14.148 21.090 8.272 1.00 2.12 H new ATOM 0 HE2 MET A 23 -14.943 19.585 7.753 1.00 2.12 H new ATOM 0 HE3 MET A 23 -14.949 21.008 6.685 1.00 2.12 H new ATOM 354 N GLU A 24 -20.995 19.475 6.835 1.00 32.32 N ATOM 355 CA GLU A 24 -22.067 19.429 7.823 1.00 51.22 C ATOM 356 C GLU A 24 -23.316 18.775 7.239 1.00 55.33 C ATOM 357 O GLU A 24 -24.088 18.134 7.954 1.00 43.35 O ATOM 358 CB GLU A 24 -22.399 20.839 8.314 1.00 54.11 C ATOM 359 CG GLU A 24 -23.273 21.628 7.354 1.00 15.12 C ATOM 360 CD GLU A 24 -24.754 21.390 7.584 1.00 42.45 C ATOM 361 OE1 GLU A 24 -25.207 21.534 8.738 1.00 3.23 O ATOM 362 OE2 GLU A 24 -25.459 21.058 6.607 1.00 4.50 O ATOM 0 H GLU A 24 -21.211 20.023 6.002 1.00 32.32 H new ATOM 0 HA GLU A 24 -21.724 18.830 8.667 1.00 51.22 H new ATOM 0 HB2 GLU A 24 -22.903 20.770 9.278 1.00 54.11 H new ATOM 0 HB3 GLU A 24 -21.470 21.385 8.479 1.00 54.11 H new ATOM 0 HG2 GLU A 24 -23.058 22.691 7.463 1.00 15.12 H new ATOM 0 HG3 GLU A 24 -23.020 21.355 6.330 1.00 15.12 H new ATOM 369 N LYS A 25 -23.510 18.942 5.935 1.00 71.45 N ATOM 370 CA LYS A 25 -24.664 18.368 5.252 1.00 4.41 C ATOM 371 C LYS A 25 -24.603 16.845 5.268 1.00 63.13 C ATOM 372 O LYS A 25 -25.505 16.182 5.782 1.00 2.22 O ATOM 373 CB LYS A 25 -24.731 18.873 3.809 1.00 71.35 C ATOM 374 CG LYS A 25 -26.019 18.504 3.095 1.00 71.41 C ATOM 375 CD LYS A 25 -27.203 19.281 3.643 1.00 14.51 C ATOM 376 CE LYS A 25 -27.325 20.648 2.987 1.00 55.45 C ATOM 377 NZ LYS A 25 -26.505 21.675 3.686 1.00 64.23 N ATOM 0 H LYS A 25 -22.882 19.471 5.329 1.00 71.45 H new ATOM 0 HA LYS A 25 -25.563 18.683 5.782 1.00 4.41 H new ATOM 0 HB2 LYS A 25 -24.622 19.958 3.807 1.00 71.35 H new ATOM 0 HB3 LYS A 25 -23.887 18.467 3.251 1.00 71.35 H new ATOM 0 HG2 LYS A 25 -25.914 18.703 2.028 1.00 71.41 H new ATOM 0 HG3 LYS A 25 -26.203 17.435 3.203 1.00 71.41 H new ATOM 0 HD2 LYS A 25 -28.119 18.714 3.478 1.00 14.51 H new ATOM 0 HD3 LYS A 25 -27.093 19.402 4.721 1.00 14.51 H new ATOM 0 HE2 LYS A 25 -27.011 20.580 1.945 1.00 55.45 H new ATOM 0 HE3 LYS A 25 -28.370 20.958 2.985 1.00 55.45 H new ATOM 0 HZ1 LYS A 25 -27.053 22.554 3.777 1.00 64.23 H new ATOM 0 HZ2 LYS A 25 -26.247 21.328 4.632 1.00 64.23 H new ATOM 0 HZ3 LYS A 25 -25.641 21.861 3.138 1.00 64.23 H new ATOM 391 N LEU A 26 -23.535 16.294 4.701 1.00 33.00 N ATOM 392 CA LEU A 26 -23.355 14.847 4.651 1.00 52.34 C ATOM 393 C LEU A 26 -23.382 14.246 6.052 1.00 14.24 C ATOM 394 O LEU A 26 -23.683 13.065 6.228 1.00 54.14 O ATOM 395 CB LEU A 26 -22.035 14.501 3.961 1.00 73.23 C ATOM 396 CG LEU A 26 -21.750 15.235 2.650 1.00 51.23 C ATOM 397 CD1 LEU A 26 -20.467 14.720 2.017 1.00 1.13 C ATOM 398 CD2 LEU A 26 -22.920 15.081 1.688 1.00 43.45 C ATOM 0 H LEU A 26 -22.780 16.828 4.269 1.00 33.00 H new ATOM 0 HA LEU A 26 -24.180 14.423 4.078 1.00 52.34 H new ATOM 0 HB2 LEU A 26 -21.220 14.708 4.655 1.00 73.23 H new ATOM 0 HB3 LEU A 26 -22.021 13.429 3.764 1.00 73.23 H new ATOM 0 HG LEU A 26 -21.622 16.295 2.870 1.00 51.23 H new ATOM 0 HD11 LEU A 26 -20.281 15.254 1.085 1.00 1.13 H new ATOM 0 HD12 LEU A 26 -19.634 14.882 2.701 1.00 1.13 H new ATOM 0 HD13 LEU A 26 -20.565 13.654 1.811 1.00 1.13 H new ATOM 0 HD21 LEU A 26 -22.700 15.609 0.760 1.00 43.45 H new ATOM 0 HD22 LEU A 26 -23.079 14.024 1.475 1.00 43.45 H new ATOM 0 HD23 LEU A 26 -23.820 15.499 2.139 1.00 43.45 H new ATOM 410 N LYS A 27 -23.068 15.067 7.049 1.00 15.53 N ATOM 411 CA LYS A 27 -23.060 14.619 8.436 1.00 15.41 C ATOM 412 C LYS A 27 -24.406 14.014 8.821 1.00 62.13 C ATOM 413 O LYS A 27 -24.484 13.162 9.706 1.00 22.31 O ATOM 414 CB LYS A 27 -22.729 15.786 9.369 1.00 41.41 C ATOM 415 CG LYS A 27 -22.314 15.352 10.764 1.00 55.52 C ATOM 416 CD LYS A 27 -22.045 16.547 11.663 1.00 41.31 C ATOM 417 CE LYS A 27 -21.524 16.113 13.025 1.00 13.50 C ATOM 418 NZ LYS A 27 -20.087 15.727 12.973 1.00 55.53 N ATOM 0 H LYS A 27 -22.816 16.047 6.921 1.00 15.53 H new ATOM 0 HA LYS A 27 -22.293 13.851 8.538 1.00 15.41 H new ATOM 0 HB2 LYS A 27 -21.926 16.376 8.928 1.00 41.41 H new ATOM 0 HB3 LYS A 27 -23.599 16.438 9.444 1.00 41.41 H new ATOM 0 HG2 LYS A 27 -23.098 14.735 11.202 1.00 55.52 H new ATOM 0 HG3 LYS A 27 -21.419 14.733 10.702 1.00 55.52 H new ATOM 0 HD2 LYS A 27 -21.318 17.206 11.187 1.00 41.31 H new ATOM 0 HD3 LYS A 27 -22.962 17.123 11.789 1.00 41.31 H new ATOM 0 HE2 LYS A 27 -21.656 16.925 13.740 1.00 13.50 H new ATOM 0 HE3 LYS A 27 -22.113 15.271 13.387 1.00 13.50 H new ATOM 0 HZ1 LYS A 27 -19.771 15.438 13.921 1.00 55.53 H new ATOM 0 HZ2 LYS A 27 -19.964 14.935 12.310 1.00 55.53 H new ATOM 0 HZ3 LYS A 27 -19.521 16.538 12.652 1.00 55.53 H new ATOM 432 N SER A 28 -25.464 14.457 8.149 1.00 43.55 N ATOM 433 CA SER A 28 -26.807 13.960 8.423 1.00 44.55 C ATOM 434 C SER A 28 -27.051 12.634 7.710 1.00 23.11 C ATOM 435 O SER A 28 -27.880 11.832 8.135 1.00 35.43 O ATOM 436 CB SER A 28 -27.853 14.988 7.983 1.00 24.24 C ATOM 437 OG SER A 28 -29.152 14.423 7.983 1.00 52.45 O ATOM 0 H SER A 28 -25.417 15.159 7.411 1.00 43.55 H new ATOM 0 HA SER A 28 -26.896 13.797 9.497 1.00 44.55 H new ATOM 0 HB2 SER A 28 -27.827 15.848 8.652 1.00 24.24 H new ATOM 0 HB3 SER A 28 -27.612 15.353 6.985 1.00 24.24 H new ATOM 0 HG SER A 28 -29.803 15.099 7.700 1.00 52.45 H new ATOM 443 N GLY A 29 -26.319 12.410 6.622 1.00 35.14 N ATOM 444 CA GLY A 29 -26.470 11.180 5.867 1.00 21.02 C ATOM 445 C GLY A 29 -26.801 11.431 4.410 1.00 51.11 C ATOM 446 O GLY A 29 -27.471 10.620 3.771 1.00 53.52 O ATOM 0 H GLY A 29 -25.625 13.058 6.251 1.00 35.14 H new ATOM 0 HA2 GLY A 29 -25.548 10.602 5.933 1.00 21.02 H new ATOM 0 HA3 GLY A 29 -27.258 10.576 6.317 1.00 21.02 H new ATOM 450 N GLU A 30 -26.331 12.557 3.884 1.00 64.04 N ATOM 451 CA GLU A 30 -26.583 12.913 2.492 1.00 72.03 C ATOM 452 C GLU A 30 -25.462 12.407 1.589 1.00 75.34 C ATOM 453 O GLU A 30 -24.627 11.605 2.006 1.00 24.03 O ATOM 454 CB GLU A 30 -26.724 14.429 2.348 1.00 43.41 C ATOM 455 CG GLU A 30 -27.510 15.078 3.475 1.00 2.22 C ATOM 456 CD GLU A 30 -28.839 14.394 3.729 1.00 64.41 C ATOM 457 OE1 GLU A 30 -29.777 14.606 2.931 1.00 4.23 O ATOM 458 OE2 GLU A 30 -28.941 13.647 4.724 1.00 14.40 O ATOM 0 H GLU A 30 -25.774 13.238 4.400 1.00 64.04 H new ATOM 0 HA GLU A 30 -27.515 12.438 2.185 1.00 72.03 H new ATOM 0 HB2 GLU A 30 -25.730 14.875 2.306 1.00 43.41 H new ATOM 0 HB3 GLU A 30 -27.214 14.651 1.400 1.00 43.41 H new ATOM 0 HG2 GLU A 30 -26.914 15.056 4.388 1.00 2.22 H new ATOM 0 HG3 GLU A 30 -27.686 16.126 3.234 1.00 2.22 H new ATOM 465 N LYS A 31 -25.451 12.881 0.348 1.00 61.02 N ATOM 466 CA LYS A 31 -24.433 12.479 -0.616 1.00 52.45 C ATOM 467 C LYS A 31 -23.607 13.679 -1.068 1.00 54.35 C ATOM 468 O LYS A 31 -24.155 14.726 -1.418 1.00 22.03 O ATOM 469 CB LYS A 31 -25.086 11.810 -1.828 1.00 42.13 C ATOM 470 CG LYS A 31 -24.122 10.979 -2.657 1.00 23.00 C ATOM 471 CD LYS A 31 -23.865 9.623 -2.021 1.00 2.11 C ATOM 472 CE LYS A 31 -24.912 8.604 -2.441 1.00 23.30 C ATOM 473 NZ LYS A 31 -26.077 8.589 -1.513 1.00 71.22 N ATOM 0 H LYS A 31 -26.136 13.544 -0.014 1.00 61.02 H new ATOM 0 HA LYS A 31 -23.768 11.766 -0.129 1.00 52.45 H new ATOM 0 HB2 LYS A 31 -25.901 11.172 -1.485 1.00 42.13 H new ATOM 0 HB3 LYS A 31 -25.528 12.578 -2.462 1.00 42.13 H new ATOM 0 HG2 LYS A 31 -24.528 10.841 -3.659 1.00 23.00 H new ATOM 0 HG3 LYS A 31 -23.179 11.515 -2.766 1.00 23.00 H new ATOM 0 HD2 LYS A 31 -22.875 9.268 -2.306 1.00 2.11 H new ATOM 0 HD3 LYS A 31 -23.867 9.723 -0.936 1.00 2.11 H new ATOM 0 HE2 LYS A 31 -25.255 8.831 -3.450 1.00 23.30 H new ATOM 0 HE3 LYS A 31 -24.461 7.612 -2.473 1.00 23.30 H new ATOM 0 HZ1 LYS A 31 -26.479 7.631 -1.476 1.00 71.22 H new ATOM 0 HZ2 LYS A 31 -25.766 8.871 -0.561 1.00 71.22 H new ATOM 0 HZ3 LYS A 31 -26.800 9.255 -1.853 1.00 71.22 H new ATOM 487 N PHE A 32 -22.288 13.521 -1.060 1.00 14.20 N ATOM 488 CA PHE A 32 -21.387 14.591 -1.470 1.00 43.51 C ATOM 489 C PHE A 32 -21.779 15.138 -2.840 1.00 35.11 C ATOM 490 O PHE A 32 -21.883 16.349 -3.031 1.00 23.04 O ATOM 491 CB PHE A 32 -19.943 14.087 -1.504 1.00 23.14 C ATOM 492 CG PHE A 32 -18.951 15.134 -1.923 1.00 15.14 C ATOM 493 CD1 PHE A 32 -18.747 15.416 -3.264 1.00 12.13 C ATOM 494 CD2 PHE A 32 -18.223 15.836 -0.976 1.00 34.20 C ATOM 495 CE1 PHE A 32 -17.835 16.379 -3.652 1.00 21.31 C ATOM 496 CE2 PHE A 32 -17.310 16.800 -1.358 1.00 61.03 C ATOM 497 CZ PHE A 32 -17.116 17.073 -2.698 1.00 62.11 C ATOM 0 H PHE A 32 -21.819 12.662 -0.774 1.00 14.20 H new ATOM 0 HA PHE A 32 -21.466 15.397 -0.740 1.00 43.51 H new ATOM 0 HB2 PHE A 32 -19.673 13.717 -0.515 1.00 23.14 H new ATOM 0 HB3 PHE A 32 -19.878 13.242 -2.189 1.00 23.14 H new ATOM 0 HD1 PHE A 32 -19.307 14.877 -4.014 1.00 12.13 H new ATOM 0 HD2 PHE A 32 -18.371 15.627 0.073 1.00 34.20 H new ATOM 0 HE1 PHE A 32 -17.684 16.589 -4.701 1.00 21.31 H new ATOM 0 HE2 PHE A 32 -16.749 17.340 -0.610 1.00 61.03 H new ATOM 0 HZ PHE A 32 -16.404 17.827 -2.999 1.00 62.11 H new ATOM 507 N GLY A 33 -21.995 14.235 -3.791 1.00 13.22 N ATOM 508 CA GLY A 33 -22.373 14.644 -5.131 1.00 43.34 C ATOM 509 C GLY A 33 -23.669 15.429 -5.154 1.00 61.21 C ATOM 510 O GLY A 33 -23.845 16.330 -5.974 1.00 45.35 O ATOM 0 H GLY A 33 -21.915 13.227 -3.657 1.00 13.22 H new ATOM 0 HA2 GLY A 33 -21.576 15.252 -5.560 1.00 43.34 H new ATOM 0 HA3 GLY A 33 -22.476 13.761 -5.762 1.00 43.34 H new ATOM 514 N LYS A 34 -24.582 15.085 -4.252 1.00 14.43 N ATOM 515 CA LYS A 34 -25.871 15.762 -4.171 1.00 40.22 C ATOM 516 C LYS A 34 -25.687 17.273 -4.084 1.00 11.54 C ATOM 517 O LYS A 34 -26.542 18.040 -4.529 1.00 14.33 O ATOM 518 CB LYS A 34 -26.658 15.262 -2.958 1.00 24.04 C ATOM 519 CG LYS A 34 -28.114 15.696 -2.955 1.00 71.43 C ATOM 520 CD LYS A 34 -29.005 14.661 -3.621 1.00 21.34 C ATOM 521 CE LYS A 34 -29.059 14.857 -5.128 1.00 41.12 C ATOM 522 NZ LYS A 34 -30.255 14.208 -5.729 1.00 52.12 N ATOM 0 H LYS A 34 -24.453 14.341 -3.566 1.00 14.43 H new ATOM 0 HA LYS A 34 -26.431 15.534 -5.078 1.00 40.22 H new ATOM 0 HB2 LYS A 34 -26.612 14.173 -2.930 1.00 24.04 H new ATOM 0 HB3 LYS A 34 -26.178 15.625 -2.049 1.00 24.04 H new ATOM 0 HG2 LYS A 34 -28.445 15.856 -1.929 1.00 71.43 H new ATOM 0 HG3 LYS A 34 -28.212 16.650 -3.474 1.00 71.43 H new ATOM 0 HD2 LYS A 34 -28.633 13.661 -3.396 1.00 21.34 H new ATOM 0 HD3 LYS A 34 -30.012 14.727 -3.208 1.00 21.34 H new ATOM 0 HE2 LYS A 34 -29.072 15.923 -5.355 1.00 41.12 H new ATOM 0 HE3 LYS A 34 -28.157 14.445 -5.580 1.00 41.12 H new ATOM 0 HZ1 LYS A 34 -30.255 14.365 -6.757 1.00 52.12 H new ATOM 0 HZ2 LYS A 34 -30.230 13.187 -5.534 1.00 52.12 H new ATOM 0 HZ3 LYS A 34 -31.117 14.618 -5.316 1.00 52.12 H new ATOM 536 N LEU A 35 -24.566 17.696 -3.509 1.00 13.42 N ATOM 537 CA LEU A 35 -24.269 19.117 -3.364 1.00 50.21 C ATOM 538 C LEU A 35 -23.227 19.562 -4.385 1.00 65.35 C ATOM 539 O LEU A 35 -23.117 20.747 -4.699 1.00 32.03 O ATOM 540 CB LEU A 35 -23.772 19.413 -1.948 1.00 11.10 C ATOM 541 CG LEU A 35 -24.412 18.594 -0.827 1.00 13.20 C ATOM 542 CD1 LEU A 35 -23.815 18.973 0.519 1.00 24.14 C ATOM 543 CD2 LEU A 35 -25.921 18.792 -0.817 1.00 61.44 C ATOM 0 H LEU A 35 -23.848 17.075 -3.136 1.00 13.42 H new ATOM 0 HA LEU A 35 -25.188 19.675 -3.543 1.00 50.21 H new ATOM 0 HB2 LEU A 35 -22.695 19.249 -1.921 1.00 11.10 H new ATOM 0 HB3 LEU A 35 -23.939 20.470 -1.739 1.00 11.10 H new ATOM 0 HG LEU A 35 -24.204 17.540 -1.010 1.00 13.20 H new ATOM 0 HD11 LEU A 35 -24.283 18.380 1.305 1.00 24.14 H new ATOM 0 HD12 LEU A 35 -22.742 18.780 0.509 1.00 24.14 H new ATOM 0 HD13 LEU A 35 -23.991 20.032 0.710 1.00 24.14 H new ATOM 0 HD21 LEU A 35 -26.360 18.202 -0.013 1.00 61.44 H new ATOM 0 HD22 LEU A 35 -26.149 19.846 -0.659 1.00 61.44 H new ATOM 0 HD23 LEU A 35 -26.337 18.470 -1.772 1.00 61.44 H new ATOM 555 N ALA A 36 -22.465 18.603 -4.901 1.00 63.25 N ATOM 556 CA ALA A 36 -21.435 18.895 -5.890 1.00 3.22 C ATOM 557 C ALA A 36 -22.047 19.147 -7.263 1.00 41.13 C ATOM 558 O ALA A 36 -21.379 19.641 -8.172 1.00 1.44 O ATOM 559 CB ALA A 36 -20.430 17.754 -5.958 1.00 51.23 C ATOM 0 H ALA A 36 -22.542 17.617 -4.650 1.00 63.25 H new ATOM 0 HA ALA A 36 -20.917 19.803 -5.581 1.00 3.22 H new ATOM 0 HB1 ALA A 36 -19.666 17.985 -6.701 1.00 51.23 H new ATOM 0 HB2 ALA A 36 -19.960 17.624 -4.983 1.00 51.23 H new ATOM 0 HB3 ALA A 36 -20.942 16.834 -6.239 1.00 51.23 H new ATOM 565 N LYS A 37 -23.323 18.805 -7.409 1.00 23.40 N ATOM 566 CA LYS A 37 -24.027 18.994 -8.671 1.00 25.20 C ATOM 567 C LYS A 37 -24.861 20.270 -8.642 1.00 41.35 C ATOM 568 O LYS A 37 -25.583 20.572 -9.593 1.00 73.12 O ATOM 569 CB LYS A 37 -24.927 17.790 -8.962 1.00 44.43 C ATOM 570 CG LYS A 37 -25.955 17.523 -7.877 1.00 64.45 C ATOM 571 CD LYS A 37 -27.353 17.916 -8.325 1.00 5.21 C ATOM 572 CE LYS A 37 -27.998 16.821 -9.161 1.00 12.41 C ATOM 573 NZ LYS A 37 -28.548 15.727 -8.313 1.00 64.03 N ATOM 0 H LYS A 37 -23.891 18.395 -6.667 1.00 23.40 H new ATOM 0 HA LYS A 37 -23.284 19.084 -9.463 1.00 25.20 H new ATOM 0 HB2 LYS A 37 -25.443 17.953 -9.908 1.00 44.43 H new ATOM 0 HB3 LYS A 37 -24.305 16.904 -9.087 1.00 44.43 H new ATOM 0 HG2 LYS A 37 -25.940 16.466 -7.613 1.00 64.45 H new ATOM 0 HG3 LYS A 37 -25.690 18.080 -6.978 1.00 64.45 H new ATOM 0 HD2 LYS A 37 -27.972 18.121 -7.452 1.00 5.21 H new ATOM 0 HD3 LYS A 37 -27.305 18.838 -8.905 1.00 5.21 H new ATOM 0 HE2 LYS A 37 -28.798 17.249 -9.765 1.00 12.41 H new ATOM 0 HE3 LYS A 37 -27.262 16.410 -9.852 1.00 12.41 H new ATOM 0 HZ1 LYS A 37 -28.979 15.001 -8.920 1.00 64.03 H new ATOM 0 HZ2 LYS A 37 -27.781 15.301 -7.755 1.00 64.03 H new ATOM 0 HZ3 LYS A 37 -29.269 16.114 -7.671 1.00 64.03 H new ATOM 587 N GLU A 38 -24.755 21.017 -7.549 1.00 11.54 N ATOM 588 CA GLU A 38 -25.500 22.262 -7.398 1.00 34.41 C ATOM 589 C GLU A 38 -24.589 23.387 -6.917 1.00 50.55 C ATOM 590 O GLU A 38 -24.537 24.461 -7.520 1.00 34.43 O ATOM 591 CB GLU A 38 -26.658 22.074 -6.415 1.00 21.11 C ATOM 592 CG GLU A 38 -26.266 21.336 -5.147 1.00 23.34 C ATOM 593 CD GLU A 38 -27.467 20.893 -4.334 1.00 4.24 C ATOM 594 OE1 GLU A 38 -28.488 20.510 -4.942 1.00 64.15 O ATOM 595 OE2 GLU A 38 -27.386 20.929 -3.088 1.00 45.22 O ATOM 0 H GLU A 38 -24.160 20.782 -6.754 1.00 11.54 H new ATOM 0 HA GLU A 38 -25.901 22.535 -8.374 1.00 34.41 H new ATOM 0 HB2 GLU A 38 -27.058 23.052 -6.147 1.00 21.11 H new ATOM 0 HB3 GLU A 38 -27.459 21.526 -6.911 1.00 21.11 H new ATOM 0 HG2 GLU A 38 -25.668 20.463 -5.409 1.00 23.34 H new ATOM 0 HG3 GLU A 38 -25.636 21.982 -4.535 1.00 23.34 H new ATOM 602 N LEU A 39 -23.871 23.135 -5.829 1.00 23.03 N ATOM 603 CA LEU A 39 -22.960 24.126 -5.266 1.00 74.42 C ATOM 604 C LEU A 39 -21.774 24.366 -6.194 1.00 65.35 C ATOM 605 O LEU A 39 -21.374 25.506 -6.426 1.00 54.51 O ATOM 606 CB LEU A 39 -22.463 23.670 -3.893 1.00 34.21 C ATOM 607 CG LEU A 39 -23.528 23.541 -2.803 1.00 54.22 C ATOM 608 CD1 LEU A 39 -22.885 23.209 -1.465 1.00 53.55 C ATOM 609 CD2 LEU A 39 -24.344 24.821 -2.702 1.00 13.14 C ATOM 0 H LEU A 39 -23.902 22.253 -5.318 1.00 23.03 H new ATOM 0 HA LEU A 39 -23.506 25.063 -5.155 1.00 74.42 H new ATOM 0 HB2 LEU A 39 -21.972 22.704 -4.009 1.00 34.21 H new ATOM 0 HB3 LEU A 39 -21.705 24.374 -3.551 1.00 34.21 H new ATOM 0 HG LEU A 39 -24.200 22.726 -3.072 1.00 54.22 H new ATOM 0 HD11 LEU A 39 -23.658 23.121 -0.702 1.00 53.55 H new ATOM 0 HD12 LEU A 39 -22.345 22.266 -1.545 1.00 53.55 H new ATOM 0 HD13 LEU A 39 -22.190 24.002 -1.188 1.00 53.55 H new ATOM 0 HD21 LEU A 39 -25.097 24.712 -1.922 1.00 13.14 H new ATOM 0 HD22 LEU A 39 -23.685 25.654 -2.457 1.00 13.14 H new ATOM 0 HD23 LEU A 39 -24.835 25.016 -3.655 1.00 13.14 H new ATOM 621 N SER A 40 -21.217 23.282 -6.725 1.00 44.13 N ATOM 622 CA SER A 40 -20.075 23.374 -7.628 1.00 22.21 C ATOM 623 C SER A 40 -20.366 24.334 -8.777 1.00 13.54 C ATOM 624 O SER A 40 -21.080 23.993 -9.720 1.00 42.31 O ATOM 625 CB SER A 40 -19.722 21.991 -8.181 1.00 2.52 C ATOM 626 OG SER A 40 -18.384 21.954 -8.645 1.00 44.05 O ATOM 0 H SER A 40 -21.538 22.330 -6.546 1.00 44.13 H new ATOM 0 HA SER A 40 -19.227 23.759 -7.062 1.00 22.21 H new ATOM 0 HB2 SER A 40 -19.862 21.239 -7.405 1.00 2.52 H new ATOM 0 HB3 SER A 40 -20.400 21.738 -8.996 1.00 2.52 H new ATOM 0 HG SER A 40 -18.026 21.048 -8.540 1.00 44.05 H new ATOM 632 N ILE A 41 -19.809 25.538 -8.689 1.00 34.14 N ATOM 633 CA ILE A 41 -20.009 26.548 -9.721 1.00 25.23 C ATOM 634 C ILE A 41 -19.225 26.205 -10.983 1.00 54.13 C ATOM 635 O ILE A 41 -19.553 26.672 -12.075 1.00 2.34 O ATOM 636 CB ILE A 41 -19.583 27.945 -9.230 1.00 52.14 C ATOM 637 CG1 ILE A 41 -18.147 27.910 -8.702 1.00 71.33 C ATOM 638 CG2 ILE A 41 -20.537 28.441 -8.153 1.00 65.01 C ATOM 639 CD1 ILE A 41 -17.349 29.149 -9.042 1.00 25.33 C ATOM 0 H ILE A 41 -19.216 25.837 -7.915 1.00 34.14 H new ATOM 0 HA ILE A 41 -21.075 26.561 -9.949 1.00 25.23 H new ATOM 0 HB ILE A 41 -19.623 28.637 -10.071 1.00 52.14 H new ATOM 0 HG12 ILE A 41 -18.169 27.788 -7.619 1.00 71.33 H new ATOM 0 HG13 ILE A 41 -17.639 27.037 -9.111 1.00 71.33 H new ATOM 0 HG21 ILE A 41 -20.223 29.429 -7.816 1.00 65.01 H new ATOM 0 HG22 ILE A 41 -21.546 28.500 -8.560 1.00 65.01 H new ATOM 0 HG23 ILE A 41 -20.526 27.750 -7.310 1.00 65.01 H new ATOM 0 HD11 ILE A 41 -16.341 29.055 -8.637 1.00 25.33 H new ATOM 0 HD12 ILE A 41 -17.296 29.262 -10.125 1.00 25.33 H new ATOM 0 HD13 ILE A 41 -17.834 30.024 -8.610 1.00 25.33 H new ATOM 651 N ASP A 42 -18.191 25.386 -10.828 1.00 53.01 N ATOM 652 CA ASP A 42 -17.363 24.978 -11.957 1.00 54.33 C ATOM 653 C ASP A 42 -18.179 24.180 -12.969 1.00 73.22 C ATOM 654 O ASP A 42 -18.651 23.081 -12.673 1.00 44.34 O ATOM 655 CB ASP A 42 -16.175 24.146 -11.471 1.00 34.30 C ATOM 656 CG ASP A 42 -15.218 23.794 -12.592 1.00 1.30 C ATOM 657 OD1 ASP A 42 -15.490 24.178 -13.749 1.00 14.22 O ATOM 658 OD2 ASP A 42 -14.195 23.135 -12.312 1.00 5.23 O ATOM 0 H ASP A 42 -17.906 24.991 -9.932 1.00 53.01 H new ATOM 0 HA ASP A 42 -16.990 25.878 -12.447 1.00 54.33 H new ATOM 0 HB2 ASP A 42 -15.639 24.699 -10.700 1.00 34.30 H new ATOM 0 HB3 ASP A 42 -16.542 23.229 -11.009 1.00 34.30 H new ATOM 663 N SER A 43 -18.343 24.740 -14.163 1.00 71.13 N ATOM 664 CA SER A 43 -19.106 24.083 -15.218 1.00 42.11 C ATOM 665 C SER A 43 -18.615 22.655 -15.435 1.00 3.43 C ATOM 666 O SER A 43 -19.406 21.747 -15.687 1.00 62.25 O ATOM 667 CB SER A 43 -18.999 24.875 -16.522 1.00 41.33 C ATOM 668 OG SER A 43 -20.037 24.522 -17.420 1.00 33.10 O ATOM 0 H SER A 43 -17.958 25.648 -14.424 1.00 71.13 H new ATOM 0 HA SER A 43 -20.150 24.046 -14.908 1.00 42.11 H new ATOM 0 HB2 SER A 43 -19.047 25.943 -16.308 1.00 41.33 H new ATOM 0 HB3 SER A 43 -18.032 24.686 -16.987 1.00 41.33 H new ATOM 0 HG SER A 43 -19.947 25.043 -18.245 1.00 33.10 H new ATOM 674 N GLY A 44 -17.303 22.465 -15.333 1.00 41.15 N ATOM 675 CA GLY A 44 -16.728 21.146 -15.521 1.00 51.23 C ATOM 676 C GLY A 44 -16.600 20.379 -14.221 1.00 5.31 C ATOM 677 O GLY A 44 -15.551 19.802 -13.933 1.00 51.04 O ATOM 0 H GLY A 44 -16.628 23.201 -15.124 1.00 41.15 H new ATOM 0 HA2 GLY A 44 -17.348 20.578 -16.215 1.00 51.23 H new ATOM 0 HA3 GLY A 44 -15.744 21.244 -15.980 1.00 51.23 H new ATOM 681 N SER A 45 -17.669 20.373 -13.431 1.00 72.23 N ATOM 682 CA SER A 45 -17.671 19.676 -12.150 1.00 63.24 C ATOM 683 C SER A 45 -19.096 19.388 -11.690 1.00 31.31 C ATOM 684 O SER A 45 -19.386 18.312 -11.168 1.00 63.25 O ATOM 685 CB SER A 45 -16.938 20.505 -11.093 1.00 71.42 C ATOM 686 OG SER A 45 -15.799 21.141 -11.644 1.00 42.35 O ATOM 0 H SER A 45 -18.546 20.843 -13.656 1.00 72.23 H new ATOM 0 HA SER A 45 -17.152 18.726 -12.280 1.00 63.24 H new ATOM 0 HB2 SER A 45 -17.614 21.255 -10.682 1.00 71.42 H new ATOM 0 HB3 SER A 45 -16.635 19.861 -10.267 1.00 71.42 H new ATOM 0 HG SER A 45 -15.369 20.541 -12.288 1.00 42.35 H new ATOM 692 N ALA A 46 -19.982 20.358 -11.887 1.00 42.25 N ATOM 693 CA ALA A 46 -21.378 20.210 -11.494 1.00 62.35 C ATOM 694 C ALA A 46 -22.062 19.113 -12.305 1.00 53.22 C ATOM 695 O ALA A 46 -23.156 18.665 -11.962 1.00 12.40 O ATOM 696 CB ALA A 46 -22.116 21.530 -11.660 1.00 30.30 C ATOM 0 H ALA A 46 -19.758 21.256 -12.317 1.00 42.25 H new ATOM 0 HA ALA A 46 -21.406 19.921 -10.443 1.00 62.35 H new ATOM 0 HB1 ALA A 46 -23.157 21.405 -11.363 1.00 30.30 H new ATOM 0 HB2 ALA A 46 -21.649 22.289 -11.033 1.00 30.30 H new ATOM 0 HB3 ALA A 46 -22.072 21.843 -12.703 1.00 30.30 H new ATOM 702 N LYS A 47 -21.412 18.687 -13.382 1.00 30.43 N ATOM 703 CA LYS A 47 -21.957 17.642 -14.241 1.00 71.15 C ATOM 704 C LYS A 47 -21.418 16.272 -13.841 1.00 43.11 C ATOM 705 O LYS A 47 -21.974 15.241 -14.219 1.00 63.31 O ATOM 706 CB LYS A 47 -21.616 17.929 -15.705 1.00 45.04 C ATOM 707 CG LYS A 47 -20.124 18.040 -15.972 1.00 33.53 C ATOM 708 CD LYS A 47 -19.691 17.122 -17.103 1.00 3.33 C ATOM 709 CE LYS A 47 -20.210 17.610 -18.446 1.00 71.51 C ATOM 710 NZ LYS A 47 -19.206 17.425 -19.530 1.00 45.25 N ATOM 0 H LYS A 47 -20.507 19.049 -13.681 1.00 30.43 H new ATOM 0 HA LYS A 47 -23.040 17.635 -14.121 1.00 71.15 H new ATOM 0 HB2 LYS A 47 -22.030 17.136 -16.328 1.00 45.04 H new ATOM 0 HB3 LYS A 47 -22.101 18.857 -16.007 1.00 45.04 H new ATOM 0 HG2 LYS A 47 -19.874 19.071 -16.223 1.00 33.53 H new ATOM 0 HG3 LYS A 47 -19.572 17.789 -15.066 1.00 33.53 H new ATOM 0 HD2 LYS A 47 -18.603 17.066 -17.131 1.00 3.33 H new ATOM 0 HD3 LYS A 47 -20.058 16.113 -16.915 1.00 3.33 H new ATOM 0 HE2 LYS A 47 -21.122 17.071 -18.700 1.00 71.51 H new ATOM 0 HE3 LYS A 47 -20.474 18.665 -18.372 1.00 71.51 H new ATOM 0 HZ1 LYS A 47 -19.598 17.770 -20.429 1.00 45.25 H new ATOM 0 HZ2 LYS A 47 -18.344 17.960 -19.300 1.00 45.25 H new ATOM 0 HZ3 LYS A 47 -18.973 16.415 -19.619 1.00 45.25 H new ATOM 724 N LYS A 48 -20.334 16.269 -13.074 1.00 25.42 N ATOM 725 CA LYS A 48 -19.721 15.026 -12.620 1.00 5.04 C ATOM 726 C LYS A 48 -19.730 14.940 -11.097 1.00 5.32 C ATOM 727 O LYS A 48 -18.911 14.242 -10.501 1.00 5.11 O ATOM 728 CB LYS A 48 -18.285 14.922 -13.139 1.00 13.41 C ATOM 729 CG LYS A 48 -17.480 16.199 -12.962 1.00 72.25 C ATOM 730 CD LYS A 48 -17.139 16.831 -14.301 1.00 5.22 C ATOM 731 CE LYS A 48 -15.843 16.272 -14.868 1.00 23.44 C ATOM 732 NZ LYS A 48 -15.315 17.111 -15.979 1.00 32.23 N ATOM 0 H LYS A 48 -19.861 17.114 -12.753 1.00 25.42 H new ATOM 0 HA LYS A 48 -20.305 14.196 -13.017 1.00 5.04 H new ATOM 0 HB2 LYS A 48 -17.778 14.108 -12.620 1.00 13.41 H new ATOM 0 HB3 LYS A 48 -18.308 14.661 -14.197 1.00 13.41 H new ATOM 0 HG2 LYS A 48 -18.047 16.907 -12.358 1.00 72.25 H new ATOM 0 HG3 LYS A 48 -16.562 15.979 -12.418 1.00 72.25 H new ATOM 0 HD2 LYS A 48 -17.952 16.654 -15.005 1.00 5.22 H new ATOM 0 HD3 LYS A 48 -17.050 17.911 -14.182 1.00 5.22 H new ATOM 0 HE2 LYS A 48 -15.098 16.209 -14.075 1.00 23.44 H new ATOM 0 HE3 LYS A 48 -16.012 15.257 -15.228 1.00 23.44 H new ATOM 0 HZ1 LYS A 48 -14.431 16.696 -16.338 1.00 32.23 H new ATOM 0 HZ2 LYS A 48 -16.015 17.151 -16.747 1.00 32.23 H new ATOM 0 HZ3 LYS A 48 -15.129 18.073 -15.630 1.00 32.23 H new ATOM 746 N ASN A 49 -20.662 15.653 -10.474 1.00 32.12 N ATOM 747 CA ASN A 49 -20.777 15.656 -9.019 1.00 73.14 C ATOM 748 C ASN A 49 -19.436 15.974 -8.368 1.00 45.52 C ATOM 749 O ASN A 49 -19.144 15.512 -7.266 1.00 2.31 O ATOM 750 CB ASN A 49 -21.289 14.301 -8.525 1.00 41.24 C ATOM 751 CG ASN A 49 -22.721 14.034 -8.948 1.00 42.33 C ATOM 752 OD1 ASN A 49 -22.975 13.242 -9.855 1.00 65.23 O ATOM 753 ND2 ASN A 49 -23.665 14.697 -8.290 1.00 41.23 N ATOM 0 H ASN A 49 -21.349 16.236 -10.953 1.00 32.12 H new ATOM 0 HA ASN A 49 -21.490 16.431 -8.737 1.00 73.14 H new ATOM 0 HB2 ASN A 49 -20.646 13.510 -8.911 1.00 41.24 H new ATOM 0 HB3 ASN A 49 -21.222 14.265 -7.438 1.00 41.24 H new ATOM 0 HD21 ASN A 49 -24.647 14.559 -8.530 1.00 41.23 H new ATOM 0 HD22 ASN A 49 -23.408 15.344 -7.545 1.00 41.23 H new ATOM 760 N GLY A 50 -18.622 16.768 -9.059 1.00 22.14 N ATOM 761 CA GLY A 50 -17.320 17.135 -8.531 1.00 21.32 C ATOM 762 C GLY A 50 -16.450 15.928 -8.245 1.00 23.24 C ATOM 763 O GLY A 50 -15.491 16.014 -7.478 1.00 43.21 O ATOM 0 H GLY A 50 -18.841 17.163 -9.974 1.00 22.14 H new ATOM 0 HA2 GLY A 50 -16.812 17.784 -9.244 1.00 21.32 H new ATOM 0 HA3 GLY A 50 -17.452 17.710 -7.614 1.00 21.32 H new ATOM 767 N ASN A 51 -16.784 14.799 -8.860 1.00 34.44 N ATOM 768 CA ASN A 51 -16.027 13.567 -8.664 1.00 12.41 C ATOM 769 C ASN A 51 -14.970 13.402 -9.751 1.00 23.53 C ATOM 770 O ASN A 51 -15.184 12.700 -10.740 1.00 12.12 O ATOM 771 CB ASN A 51 -16.967 12.360 -8.663 1.00 13.42 C ATOM 772 CG ASN A 51 -16.393 11.182 -7.900 1.00 33.50 C ATOM 773 OD1 ASN A 51 -15.926 10.212 -8.496 1.00 22.51 O ATOM 774 ND2 ASN A 51 -16.428 11.262 -6.575 1.00 3.30 N ATOM 0 H ASN A 51 -17.574 14.711 -9.499 1.00 34.44 H new ATOM 0 HA ASN A 51 -15.525 13.627 -7.698 1.00 12.41 H new ATOM 0 HB2 ASN A 51 -17.921 12.646 -8.220 1.00 13.42 H new ATOM 0 HB3 ASN A 51 -17.170 12.060 -9.691 1.00 13.42 H new ATOM 0 HD21 ASN A 51 -16.058 10.499 -6.008 1.00 3.30 H new ATOM 0 HD22 ASN A 51 -16.825 12.086 -6.124 1.00 3.30 H new ATOM 781 N LEU A 52 -13.827 14.051 -9.560 1.00 24.34 N ATOM 782 CA LEU A 52 -12.734 13.976 -10.523 1.00 24.20 C ATOM 783 C LEU A 52 -12.136 12.573 -10.560 1.00 61.31 C ATOM 784 O LEU A 52 -11.381 12.231 -11.469 1.00 53.04 O ATOM 785 CB LEU A 52 -11.648 14.995 -10.173 1.00 23.43 C ATOM 786 CG LEU A 52 -11.104 14.933 -8.745 1.00 43.05 C ATOM 787 CD1 LEU A 52 -9.966 13.928 -8.651 1.00 74.21 C ATOM 788 CD2 LEU A 52 -10.640 16.309 -8.291 1.00 32.33 C ATOM 0 H LEU A 52 -13.633 14.635 -8.747 1.00 24.34 H new ATOM 0 HA LEU A 52 -13.136 14.207 -11.509 1.00 24.20 H new ATOM 0 HB2 LEU A 52 -10.816 14.860 -10.864 1.00 23.43 H new ATOM 0 HB3 LEU A 52 -12.047 15.995 -10.345 1.00 23.43 H new ATOM 0 HG LEU A 52 -11.907 14.606 -8.085 1.00 43.05 H new ATOM 0 HD11 LEU A 52 -9.591 13.897 -7.628 1.00 74.21 H new ATOM 0 HD12 LEU A 52 -10.329 12.940 -8.934 1.00 74.21 H new ATOM 0 HD13 LEU A 52 -9.161 14.226 -9.323 1.00 74.21 H new ATOM 0 HD21 LEU A 52 -10.256 16.246 -7.273 1.00 32.33 H new ATOM 0 HD22 LEU A 52 -9.852 16.664 -8.955 1.00 32.33 H new ATOM 0 HD23 LEU A 52 -11.479 17.004 -8.320 1.00 32.33 H new ATOM 800 N GLY A 53 -12.482 11.761 -9.565 1.00 0.13 N ATOM 801 CA GLY A 53 -11.973 10.403 -9.503 1.00 43.33 C ATOM 802 C GLY A 53 -10.548 10.341 -8.992 1.00 2.02 C ATOM 803 O GLY A 53 -10.229 10.909 -7.947 1.00 55.21 O ATOM 0 H GLY A 53 -13.106 12.020 -8.801 1.00 0.13 H new ATOM 0 HA2 GLY A 53 -12.615 9.807 -8.854 1.00 43.33 H new ATOM 0 HA3 GLY A 53 -12.020 9.955 -10.496 1.00 43.33 H new ATOM 807 N TYR A 54 -9.687 9.647 -9.728 1.00 43.33 N ATOM 808 CA TYR A 54 -8.288 9.510 -9.341 1.00 61.51 C ATOM 809 C TYR A 54 -7.446 10.639 -9.928 1.00 3.14 C ATOM 810 O TYR A 54 -7.614 11.017 -11.087 1.00 60.33 O ATOM 811 CB TYR A 54 -7.740 8.158 -9.803 1.00 71.42 C ATOM 812 CG TYR A 54 -7.750 7.100 -8.724 1.00 20.45 C ATOM 813 CD1 TYR A 54 -8.846 6.948 -7.882 1.00 60.51 C ATOM 814 CD2 TYR A 54 -6.664 6.252 -8.543 1.00 4.24 C ATOM 815 CE1 TYR A 54 -8.860 5.983 -6.894 1.00 24.41 C ATOM 816 CE2 TYR A 54 -6.669 5.284 -7.557 1.00 71.40 C ATOM 817 CZ TYR A 54 -7.769 5.153 -6.736 1.00 11.33 C ATOM 818 OH TYR A 54 -7.779 4.191 -5.753 1.00 22.42 O ATOM 0 H TYR A 54 -9.933 9.171 -10.596 1.00 43.33 H new ATOM 0 HA TYR A 54 -8.231 9.567 -8.254 1.00 61.51 H new ATOM 0 HB2 TYR A 54 -8.329 7.807 -10.650 1.00 71.42 H new ATOM 0 HB3 TYR A 54 -6.719 8.292 -10.159 1.00 71.42 H new ATOM 0 HD1 TYR A 54 -9.702 7.596 -8.003 1.00 60.51 H new ATOM 0 HD2 TYR A 54 -5.801 6.351 -9.184 1.00 4.24 H new ATOM 0 HE1 TYR A 54 -9.720 5.879 -6.249 1.00 24.41 H new ATOM 0 HE2 TYR A 54 -5.816 4.634 -7.430 1.00 71.40 H new ATOM 0 HH TYR A 54 -6.936 3.691 -5.776 1.00 22.42 H new ATOM 828 N PHE A 55 -6.538 11.174 -9.117 1.00 74.21 N ATOM 829 CA PHE A 55 -5.670 12.261 -9.554 1.00 71.43 C ATOM 830 C PHE A 55 -4.264 12.097 -8.982 1.00 52.12 C ATOM 831 O PHE A 55 -3.994 11.162 -8.228 1.00 2.05 O ATOM 832 CB PHE A 55 -6.252 13.610 -9.127 1.00 71.33 C ATOM 833 CG PHE A 55 -5.826 14.038 -7.752 1.00 54.44 C ATOM 834 CD1 PHE A 55 -5.951 13.176 -6.674 1.00 54.15 C ATOM 835 CD2 PHE A 55 -5.302 15.302 -7.537 1.00 14.24 C ATOM 836 CE1 PHE A 55 -5.562 13.569 -5.408 1.00 3.00 C ATOM 837 CE2 PHE A 55 -4.911 15.701 -6.272 1.00 65.43 C ATOM 838 CZ PHE A 55 -5.040 14.831 -5.206 1.00 40.33 C ATOM 0 H PHE A 55 -6.385 10.872 -8.155 1.00 74.21 H new ATOM 0 HA PHE A 55 -5.608 12.228 -10.642 1.00 71.43 H new ATOM 0 HB2 PHE A 55 -5.949 14.371 -9.846 1.00 71.33 H new ATOM 0 HB3 PHE A 55 -7.340 13.554 -9.161 1.00 71.33 H new ATOM 0 HD1 PHE A 55 -6.357 12.187 -6.825 1.00 54.15 H new ATOM 0 HD2 PHE A 55 -5.197 15.984 -8.368 1.00 14.24 H new ATOM 0 HE1 PHE A 55 -5.666 12.889 -4.576 1.00 3.00 H new ATOM 0 HE2 PHE A 55 -4.506 16.690 -6.117 1.00 65.43 H new ATOM 0 HZ PHE A 55 -4.733 15.138 -4.217 1.00 40.33 H new ATOM 848 N THR A 56 -3.372 13.012 -9.348 1.00 32.53 N ATOM 849 CA THR A 56 -1.995 12.969 -8.874 1.00 74.11 C ATOM 850 C THR A 56 -1.429 14.374 -8.703 1.00 65.15 C ATOM 851 O THR A 56 -2.136 15.366 -8.878 1.00 33.14 O ATOM 852 CB THR A 56 -1.094 12.178 -9.841 1.00 24.53 C ATOM 853 OG1 THR A 56 -0.913 12.913 -11.055 1.00 45.24 O ATOM 854 CG2 THR A 56 -1.697 10.816 -10.151 1.00 23.12 C ATOM 0 H THR A 56 -3.579 13.792 -9.972 1.00 32.53 H new ATOM 0 HA THR A 56 -2.008 12.466 -7.907 1.00 74.11 H new ATOM 0 HB THR A 56 -0.127 12.029 -9.361 1.00 24.53 H new ATOM 0 HG1 THR A 56 -0.338 12.404 -11.663 1.00 45.24 H new ATOM 0 HG21 THR A 56 -1.043 10.276 -10.836 1.00 23.12 H new ATOM 0 HG22 THR A 56 -1.805 10.247 -9.228 1.00 23.12 H new ATOM 0 HG23 THR A 56 -2.676 10.948 -10.612 1.00 23.12 H new ATOM 862 N LYS A 57 -0.147 14.453 -8.363 1.00 64.54 N ATOM 863 CA LYS A 57 0.518 15.736 -8.170 1.00 51.24 C ATOM 864 C LYS A 57 0.888 16.363 -9.510 1.00 71.14 C ATOM 865 O LYS A 57 1.779 15.881 -10.208 1.00 65.41 O ATOM 866 CB LYS A 57 1.774 15.560 -7.313 1.00 14.41 C ATOM 867 CG LYS A 57 1.561 14.675 -6.098 1.00 14.13 C ATOM 868 CD LYS A 57 2.480 15.070 -4.953 1.00 61.30 C ATOM 869 CE LYS A 57 2.754 13.893 -4.028 1.00 40.31 C ATOM 870 NZ LYS A 57 1.553 13.526 -3.228 1.00 21.24 N ATOM 0 H LYS A 57 0.453 13.642 -8.215 1.00 64.54 H new ATOM 0 HA LYS A 57 -0.175 16.402 -7.655 1.00 51.24 H new ATOM 0 HB2 LYS A 57 2.567 15.134 -7.928 1.00 14.41 H new ATOM 0 HB3 LYS A 57 2.119 16.540 -6.983 1.00 14.41 H new ATOM 0 HG2 LYS A 57 0.523 14.745 -5.773 1.00 14.13 H new ATOM 0 HG3 LYS A 57 1.741 13.635 -6.368 1.00 14.13 H new ATOM 0 HD2 LYS A 57 3.421 15.446 -5.354 1.00 61.30 H new ATOM 0 HD3 LYS A 57 2.027 15.883 -4.385 1.00 61.30 H new ATOM 0 HE2 LYS A 57 3.074 13.034 -4.618 1.00 40.31 H new ATOM 0 HE3 LYS A 57 3.576 14.142 -3.356 1.00 40.31 H new ATOM 0 HZ1 LYS A 57 1.833 13.353 -2.241 1.00 21.24 H new ATOM 0 HZ2 LYS A 57 0.863 14.303 -3.261 1.00 21.24 H new ATOM 0 HZ3 LYS A 57 1.123 12.665 -3.622 1.00 21.24 H new ATOM 884 N GLY A 58 0.198 17.444 -9.864 1.00 71.23 N ATOM 885 CA GLY A 58 0.470 18.120 -11.119 1.00 34.12 C ATOM 886 C GLY A 58 -0.736 18.146 -12.037 1.00 42.11 C ATOM 887 O GLY A 58 -0.620 18.480 -13.216 1.00 2.24 O ATOM 0 H GLY A 58 -0.544 17.863 -9.304 1.00 71.23 H new ATOM 0 HA2 GLY A 58 0.790 19.142 -10.916 1.00 34.12 H new ATOM 0 HA3 GLY A 58 1.297 17.622 -11.625 1.00 34.12 H new ATOM 891 N MET A 59 -1.897 17.791 -11.496 1.00 54.22 N ATOM 892 CA MET A 59 -3.129 17.775 -12.276 1.00 33.24 C ATOM 893 C MET A 59 -4.128 18.793 -11.734 1.00 73.14 C ATOM 894 O MET A 59 -5.246 18.907 -12.238 1.00 10.11 O ATOM 895 CB MET A 59 -3.750 16.377 -12.261 1.00 2.04 C ATOM 896 CG MET A 59 -2.853 15.308 -12.866 1.00 33.34 C ATOM 897 SD MET A 59 -2.905 15.297 -14.668 1.00 32.53 S ATOM 898 CE MET A 59 -1.887 13.867 -15.026 1.00 71.33 C ATOM 0 H MET A 59 -2.010 17.511 -10.522 1.00 54.22 H new ATOM 0 HA MET A 59 -2.883 18.044 -13.303 1.00 33.24 H new ATOM 0 HB2 MET A 59 -3.985 16.103 -11.232 1.00 2.04 H new ATOM 0 HB3 MET A 59 -4.693 16.401 -12.808 1.00 2.04 H new ATOM 0 HG2 MET A 59 -1.827 15.471 -12.537 1.00 33.34 H new ATOM 0 HG3 MET A 59 -3.156 14.330 -12.492 1.00 33.34 H new ATOM 0 HE1 MET A 59 -1.822 13.727 -16.105 1.00 71.33 H new ATOM 0 HE2 MET A 59 -0.887 14.021 -14.619 1.00 71.33 H new ATOM 0 HE3 MET A 59 -2.331 12.981 -14.572 1.00 71.33 H new ATOM 908 N MET A 60 -3.719 19.529 -10.707 1.00 32.13 N ATOM 909 CA MET A 60 -4.578 20.537 -10.098 1.00 51.42 C ATOM 910 C MET A 60 -3.794 21.809 -9.794 1.00 25.10 C ATOM 911 O MET A 60 -2.653 21.966 -10.230 1.00 22.21 O ATOM 912 CB MET A 60 -5.209 19.994 -8.815 1.00 42.02 C ATOM 913 CG MET A 60 -5.928 18.668 -9.005 1.00 41.05 C ATOM 914 SD MET A 60 -7.573 18.865 -9.718 1.00 4.11 S ATOM 915 CE MET A 60 -7.722 17.343 -10.650 1.00 31.44 C ATOM 0 H MET A 60 -2.797 19.446 -10.278 1.00 32.13 H new ATOM 0 HA MET A 60 -5.369 20.780 -10.808 1.00 51.42 H new ATOM 0 HB2 MET A 60 -4.431 19.871 -8.061 1.00 42.02 H new ATOM 0 HB3 MET A 60 -5.915 20.729 -8.428 1.00 42.02 H new ATOM 0 HG2 MET A 60 -5.331 18.025 -9.651 1.00 41.05 H new ATOM 0 HG3 MET A 60 -6.012 18.163 -8.042 1.00 41.05 H new ATOM 0 HE1 MET A 60 -8.633 17.370 -11.248 1.00 31.44 H new ATOM 0 HE2 MET A 60 -6.860 17.233 -11.307 1.00 31.44 H new ATOM 0 HE3 MET A 60 -7.764 16.498 -9.963 1.00 31.44 H new ATOM 925 N VAL A 61 -4.412 22.716 -9.043 1.00 65.14 N ATOM 926 CA VAL A 61 -3.770 23.974 -8.680 1.00 65.35 C ATOM 927 C VAL A 61 -3.138 23.888 -7.295 1.00 51.05 C ATOM 928 O VAL A 61 -3.449 22.991 -6.512 1.00 74.43 O ATOM 929 CB VAL A 61 -4.772 25.142 -8.705 1.00 3.34 C ATOM 930 CG1 VAL A 61 -5.477 25.214 -10.051 1.00 2.11 C ATOM 931 CG2 VAL A 61 -5.780 25.004 -7.574 1.00 23.44 C ATOM 0 H VAL A 61 -5.356 22.603 -8.674 1.00 65.14 H new ATOM 0 HA VAL A 61 -2.991 24.158 -9.420 1.00 65.35 H new ATOM 0 HB VAL A 61 -4.222 26.072 -8.560 1.00 3.34 H new ATOM 0 HG11 VAL A 61 -6.181 26.046 -10.049 1.00 2.11 H new ATOM 0 HG12 VAL A 61 -4.740 25.364 -10.840 1.00 2.11 H new ATOM 0 HG13 VAL A 61 -6.015 24.283 -10.230 1.00 2.11 H new ATOM 0 HG21 VAL A 61 -6.481 25.838 -7.607 1.00 23.44 H new ATOM 0 HG22 VAL A 61 -6.326 24.067 -7.685 1.00 23.44 H new ATOM 0 HG23 VAL A 61 -5.257 25.007 -6.618 1.00 23.44 H new ATOM 941 N LYS A 62 -2.249 24.829 -6.998 1.00 42.31 N ATOM 942 CA LYS A 62 -1.573 24.864 -5.707 1.00 24.12 C ATOM 943 C LYS A 62 -2.582 24.834 -4.563 1.00 51.03 C ATOM 944 O LYS A 62 -2.572 23.940 -3.717 1.00 44.12 O ATOM 945 CB LYS A 62 -0.700 26.116 -5.598 1.00 22.24 C ATOM 946 CG LYS A 62 -0.568 26.645 -4.180 1.00 23.42 C ATOM 947 CD LYS A 62 0.606 27.600 -4.047 1.00 53.13 C ATOM 948 CE LYS A 62 1.929 26.853 -3.984 1.00 10.31 C ATOM 949 NZ LYS A 62 3.083 27.782 -3.835 1.00 5.33 N ATOM 0 H LYS A 62 -1.979 25.579 -7.635 1.00 42.31 H new ATOM 0 HA LYS A 62 -0.940 23.980 -5.633 1.00 24.12 H new ATOM 0 HB2 LYS A 62 0.293 25.891 -5.987 1.00 22.24 H new ATOM 0 HB3 LYS A 62 -1.120 26.898 -6.231 1.00 22.24 H new ATOM 0 HG2 LYS A 62 -1.488 27.156 -3.894 1.00 23.42 H new ATOM 0 HG3 LYS A 62 -0.439 25.811 -3.490 1.00 23.42 H new ATOM 0 HD2 LYS A 62 0.615 28.287 -4.893 1.00 53.13 H new ATOM 0 HD3 LYS A 62 0.485 28.204 -3.148 1.00 53.13 H new ATOM 0 HE2 LYS A 62 1.913 26.156 -3.146 1.00 10.31 H new ATOM 0 HE3 LYS A 62 2.055 26.260 -4.890 1.00 10.31 H new ATOM 0 HZ1 LYS A 62 3.966 27.235 -3.796 1.00 5.33 H new ATOM 0 HZ2 LYS A 62 3.113 28.431 -4.647 1.00 5.33 H new ATOM 0 HZ3 LYS A 62 2.976 28.330 -2.958 1.00 5.33 H new ATOM 963 N PRO A 63 -3.477 25.834 -4.537 1.00 63.31 N ATOM 964 CA PRO A 63 -4.511 25.942 -3.503 1.00 52.12 C ATOM 965 C PRO A 63 -5.578 24.860 -3.634 1.00 42.15 C ATOM 966 O PRO A 63 -6.774 25.142 -3.563 1.00 64.42 O ATOM 967 CB PRO A 63 -5.119 27.325 -3.755 1.00 21.11 C ATOM 968 CG PRO A 63 -4.859 27.596 -5.196 1.00 53.13 C ATOM 969 CD PRO A 63 -3.548 26.933 -5.513 1.00 54.31 C ATOM 0 HA PRO A 63 -4.101 25.816 -2.501 1.00 52.12 H new ATOM 0 HB2 PRO A 63 -6.187 27.334 -3.537 1.00 21.11 H new ATOM 0 HB3 PRO A 63 -4.658 28.082 -3.120 1.00 21.11 H new ATOM 0 HG2 PRO A 63 -5.659 27.196 -5.819 1.00 53.13 H new ATOM 0 HG3 PRO A 63 -4.811 28.668 -5.389 1.00 53.13 H new ATOM 0 HD2 PRO A 63 -3.522 26.563 -6.538 1.00 54.31 H new ATOM 0 HD3 PRO A 63 -2.712 27.623 -5.403 1.00 54.31 H new ATOM 977 N PHE A 64 -5.136 23.622 -3.824 1.00 73.33 N ATOM 978 CA PHE A 64 -6.054 22.496 -3.966 1.00 43.42 C ATOM 979 C PHE A 64 -5.310 21.169 -3.843 1.00 42.35 C ATOM 980 O PHE A 64 -5.581 20.375 -2.944 1.00 72.41 O ATOM 981 CB PHE A 64 -6.777 22.566 -5.313 1.00 3.02 C ATOM 982 CG PHE A 64 -7.674 21.391 -5.572 1.00 70.52 C ATOM 983 CD1 PHE A 64 -7.166 20.220 -6.114 1.00 14.41 C ATOM 984 CD2 PHE A 64 -9.026 21.455 -5.276 1.00 3.24 C ATOM 985 CE1 PHE A 64 -7.989 19.136 -6.354 1.00 42.15 C ATOM 986 CE2 PHE A 64 -9.854 20.374 -5.513 1.00 42.15 C ATOM 987 CZ PHE A 64 -9.336 19.214 -6.055 1.00 25.32 C ATOM 0 H PHE A 64 -4.149 23.372 -3.883 1.00 73.33 H new ATOM 0 HA PHE A 64 -6.790 22.556 -3.164 1.00 43.42 H new ATOM 0 HB2 PHE A 64 -7.369 23.480 -5.352 1.00 3.02 H new ATOM 0 HB3 PHE A 64 -6.037 22.631 -6.111 1.00 3.02 H new ATOM 0 HD1 PHE A 64 -6.114 20.154 -6.351 1.00 14.41 H new ATOM 0 HD2 PHE A 64 -9.438 22.360 -4.855 1.00 3.24 H new ATOM 0 HE1 PHE A 64 -7.580 18.229 -6.775 1.00 42.15 H new ATOM 0 HE2 PHE A 64 -10.905 20.436 -5.275 1.00 42.15 H new ATOM 0 HZ PHE A 64 -9.982 18.370 -6.245 1.00 25.32 H new ATOM 997 N GLU A 65 -4.370 20.938 -4.755 1.00 21.32 N ATOM 998 CA GLU A 65 -3.588 19.707 -4.750 1.00 51.24 C ATOM 999 C GLU A 65 -2.986 19.451 -3.372 1.00 10.31 C ATOM 1000 O GLU A 65 -2.993 18.323 -2.879 1.00 32.10 O ATOM 1001 CB GLU A 65 -2.477 19.778 -5.799 1.00 51.35 C ATOM 1002 CG GLU A 65 -1.613 18.530 -5.856 1.00 21.40 C ATOM 1003 CD GLU A 65 -2.219 17.440 -6.720 1.00 45.22 C ATOM 1004 OE1 GLU A 65 -2.844 17.777 -7.747 1.00 51.21 O ATOM 1005 OE2 GLU A 65 -2.067 16.252 -6.369 1.00 22.53 O ATOM 0 H GLU A 65 -4.132 21.586 -5.506 1.00 21.32 H new ATOM 0 HA GLU A 65 -4.256 18.881 -4.995 1.00 51.24 H new ATOM 0 HB2 GLU A 65 -2.924 19.945 -6.779 1.00 51.35 H new ATOM 0 HB3 GLU A 65 -1.843 20.639 -5.587 1.00 51.35 H new ATOM 0 HG2 GLU A 65 -0.629 18.791 -6.245 1.00 21.40 H new ATOM 0 HG3 GLU A 65 -1.466 18.148 -4.846 1.00 21.40 H new ATOM 1012 N ASP A 66 -2.466 20.507 -2.755 1.00 64.22 N ATOM 1013 CA ASP A 66 -1.859 20.397 -1.433 1.00 50.22 C ATOM 1014 C ASP A 66 -2.810 19.716 -0.454 1.00 65.33 C ATOM 1015 O ASP A 66 -2.459 18.717 0.174 1.00 4.32 O ATOM 1016 CB ASP A 66 -1.473 21.781 -0.910 1.00 11.43 C ATOM 1017 CG ASP A 66 -1.229 21.787 0.587 1.00 44.13 C ATOM 1018 OD1 ASP A 66 -0.240 21.167 1.029 1.00 65.25 O ATOM 1019 OD2 ASP A 66 -2.028 22.412 1.316 1.00 11.23 O ATOM 0 H ASP A 66 -2.453 21.448 -3.149 1.00 64.22 H new ATOM 0 HA ASP A 66 -0.960 19.787 -1.522 1.00 50.22 H new ATOM 0 HB2 ASP A 66 -0.574 22.122 -1.423 1.00 11.43 H new ATOM 0 HB3 ASP A 66 -2.265 22.490 -1.149 1.00 11.43 H new ATOM 1024 N ALA A 67 -4.013 20.263 -0.328 1.00 74.22 N ATOM 1025 CA ALA A 67 -5.015 19.707 0.574 1.00 41.32 C ATOM 1026 C ALA A 67 -5.951 18.756 -0.164 1.00 2.31 C ATOM 1027 O ALA A 67 -7.121 18.623 0.192 1.00 33.34 O ATOM 1028 CB ALA A 67 -5.808 20.826 1.234 1.00 30.33 C ATOM 0 H ALA A 67 -4.319 21.091 -0.839 1.00 74.22 H new ATOM 0 HA ALA A 67 -4.498 19.138 1.347 1.00 41.32 H new ATOM 0 HB1 ALA A 67 -6.553 20.398 1.905 1.00 30.33 H new ATOM 0 HB2 ALA A 67 -5.132 21.465 1.803 1.00 30.33 H new ATOM 0 HB3 ALA A 67 -6.308 21.418 0.468 1.00 30.33 H new ATOM 1034 N ALA A 68 -5.428 18.098 -1.193 1.00 51.45 N ATOM 1035 CA ALA A 68 -6.217 17.159 -1.980 1.00 41.02 C ATOM 1036 C ALA A 68 -5.911 15.719 -1.583 1.00 74.23 C ATOM 1037 O ALA A 68 -6.762 14.837 -1.706 1.00 1.03 O ATOM 1038 CB ALA A 68 -5.956 17.366 -3.465 1.00 34.40 C ATOM 0 H ALA A 68 -4.461 18.198 -1.501 1.00 51.45 H new ATOM 0 HA ALA A 68 -7.271 17.348 -1.778 1.00 41.02 H new ATOM 0 HB1 ALA A 68 -6.552 16.658 -4.041 1.00 34.40 H new ATOM 0 HB2 ALA A 68 -6.231 18.383 -3.744 1.00 34.40 H new ATOM 0 HB3 ALA A 68 -4.898 17.205 -3.674 1.00 34.40 H new ATOM 1044 N PHE A 69 -4.692 15.487 -1.108 1.00 33.42 N ATOM 1045 CA PHE A 69 -4.275 14.152 -0.693 1.00 64.14 C ATOM 1046 C PHE A 69 -3.945 14.123 0.796 1.00 21.31 C ATOM 1047 O PHE A 69 -3.634 13.071 1.354 1.00 63.52 O ATOM 1048 CB PHE A 69 -3.058 13.701 -1.505 1.00 51.24 C ATOM 1049 CG PHE A 69 -2.052 14.793 -1.735 1.00 53.11 C ATOM 1050 CD1 PHE A 69 -1.460 15.445 -0.665 1.00 32.53 C ATOM 1051 CD2 PHE A 69 -1.699 15.168 -3.021 1.00 40.41 C ATOM 1052 CE1 PHE A 69 -0.535 16.449 -0.872 1.00 4.43 C ATOM 1053 CE2 PHE A 69 -0.773 16.172 -3.234 1.00 42.12 C ATOM 1054 CZ PHE A 69 -0.190 16.814 -2.158 1.00 54.33 C ATOM 0 H PHE A 69 -3.976 16.205 -1.001 1.00 33.42 H new ATOM 0 HA PHE A 69 -5.102 13.466 -0.877 1.00 64.14 H new ATOM 0 HB2 PHE A 69 -2.572 12.874 -0.987 1.00 51.24 H new ATOM 0 HB3 PHE A 69 -3.395 13.320 -2.469 1.00 51.24 H new ATOM 0 HD1 PHE A 69 -1.726 15.164 0.344 1.00 32.53 H new ATOM 0 HD2 PHE A 69 -2.152 14.671 -3.866 1.00 40.41 H new ATOM 0 HE1 PHE A 69 -0.082 16.948 -0.029 1.00 4.43 H new ATOM 0 HE2 PHE A 69 -0.505 16.455 -4.241 1.00 42.12 H new ATOM 0 HZ PHE A 69 0.533 17.599 -2.323 1.00 54.33 H new ATOM 1064 N LYS A 70 -4.015 15.286 1.434 1.00 3.32 N ATOM 1065 CA LYS A 70 -3.725 15.396 2.859 1.00 34.31 C ATOM 1066 C LYS A 70 -4.870 14.829 3.692 1.00 34.40 C ATOM 1067 O LYS A 70 -4.734 14.630 4.901 1.00 71.44 O ATOM 1068 CB LYS A 70 -3.480 16.858 3.239 1.00 14.00 C ATOM 1069 CG LYS A 70 -2.115 17.374 2.819 1.00 4.10 C ATOM 1070 CD LYS A 70 -2.001 18.877 3.021 1.00 61.43 C ATOM 1071 CE LYS A 70 -2.209 19.260 4.478 1.00 41.44 C ATOM 1072 NZ LYS A 70 -1.358 20.417 4.874 1.00 52.45 N ATOM 0 H LYS A 70 -4.270 16.166 0.987 1.00 3.32 H new ATOM 0 HA LYS A 70 -2.825 14.817 3.067 1.00 34.31 H new ATOM 0 HB2 LYS A 70 -4.250 17.478 2.781 1.00 14.00 H new ATOM 0 HB3 LYS A 70 -3.584 16.967 4.319 1.00 14.00 H new ATOM 0 HG2 LYS A 70 -1.341 16.869 3.396 1.00 4.10 H new ATOM 0 HG3 LYS A 70 -1.940 17.132 1.771 1.00 4.10 H new ATOM 0 HD2 LYS A 70 -1.019 19.216 2.691 1.00 61.43 H new ATOM 0 HD3 LYS A 70 -2.739 19.386 2.401 1.00 61.43 H new ATOM 0 HE2 LYS A 70 -3.258 19.507 4.642 1.00 41.44 H new ATOM 0 HE3 LYS A 70 -1.979 18.405 5.115 1.00 41.44 H new ATOM 0 HZ1 LYS A 70 -1.529 20.647 5.874 1.00 52.45 H new ATOM 0 HZ2 LYS A 70 -0.356 20.172 4.741 1.00 52.45 H new ATOM 0 HZ3 LYS A 70 -1.595 21.240 4.284 1.00 52.45 H new ATOM 1086 N LEU A 71 -5.998 14.567 3.040 1.00 44.41 N ATOM 1087 CA LEU A 71 -7.166 14.021 3.720 1.00 13.11 C ATOM 1088 C LEU A 71 -7.083 12.500 3.809 1.00 11.22 C ATOM 1089 O LEU A 71 -6.082 11.901 3.418 1.00 53.05 O ATOM 1090 CB LEU A 71 -8.446 14.431 2.988 1.00 2.43 C ATOM 1091 CG LEU A 71 -8.459 15.843 2.400 1.00 21.41 C ATOM 1092 CD1 LEU A 71 -9.594 15.993 1.400 1.00 42.34 C ATOM 1093 CD2 LEU A 71 -8.580 16.880 3.507 1.00 51.02 C ATOM 0 H LEU A 71 -6.128 14.724 2.041 1.00 44.41 H new ATOM 0 HA LEU A 71 -7.188 14.425 4.732 1.00 13.11 H new ATOM 0 HB2 LEU A 71 -8.622 13.721 2.180 1.00 2.43 H new ATOM 0 HB3 LEU A 71 -9.282 14.340 3.681 1.00 2.43 H new ATOM 0 HG LEU A 71 -7.517 16.008 1.877 1.00 21.41 H new ATOM 0 HD11 LEU A 71 -9.588 17.004 0.992 1.00 42.34 H new ATOM 0 HD12 LEU A 71 -9.464 15.274 0.591 1.00 42.34 H new ATOM 0 HD13 LEU A 71 -10.545 15.809 1.899 1.00 42.34 H new ATOM 0 HD21 LEU A 71 -8.588 17.879 3.071 1.00 51.02 H new ATOM 0 HD22 LEU A 71 -9.506 16.718 4.058 1.00 51.02 H new ATOM 0 HD23 LEU A 71 -7.733 16.787 4.186 1.00 51.02 H new ATOM 1105 N GLN A 72 -8.142 11.884 4.324 1.00 34.30 N ATOM 1106 CA GLN A 72 -8.188 10.433 4.463 1.00 72.55 C ATOM 1107 C GLN A 72 -9.486 9.873 3.889 1.00 55.32 C ATOM 1108 O GLN A 72 -10.458 10.603 3.696 1.00 52.41 O ATOM 1109 CB GLN A 72 -8.053 10.035 5.933 1.00 22.22 C ATOM 1110 CG GLN A 72 -9.258 10.414 6.779 1.00 64.24 C ATOM 1111 CD GLN A 72 -9.139 9.934 8.212 1.00 60.55 C ATOM 1112 OE1 GLN A 72 -8.503 10.580 9.045 1.00 60.15 O ATOM 1113 NE2 GLN A 72 -9.752 8.793 8.508 1.00 40.52 N ATOM 0 H GLN A 72 -8.979 12.366 4.652 1.00 34.30 H new ATOM 0 HA GLN A 72 -7.353 10.013 3.903 1.00 72.55 H new ATOM 0 HB2 GLN A 72 -7.899 8.958 5.996 1.00 22.22 H new ATOM 0 HB3 GLN A 72 -7.164 10.509 6.349 1.00 22.22 H new ATOM 0 HG2 GLN A 72 -9.376 11.498 6.771 1.00 64.24 H new ATOM 0 HG3 GLN A 72 -10.158 9.992 6.332 1.00 64.24 H new ATOM 0 HE21 GLN A 72 -10.268 8.290 7.787 1.00 40.52 H new ATOM 0 HE22 GLN A 72 -9.706 8.421 9.456 1.00 40.52 H new ATOM 1122 N VAL A 73 -9.494 8.572 3.617 1.00 20.21 N ATOM 1123 CA VAL A 73 -10.673 7.913 3.066 1.00 22.23 C ATOM 1124 C VAL A 73 -11.917 8.240 3.883 1.00 33.23 C ATOM 1125 O VAL A 73 -12.118 7.702 4.971 1.00 35.13 O ATOM 1126 CB VAL A 73 -10.490 6.384 3.019 1.00 53.45 C ATOM 1127 CG1 VAL A 73 -11.731 5.716 2.446 1.00 14.32 C ATOM 1128 CG2 VAL A 73 -9.256 6.021 2.207 1.00 34.34 C ATOM 0 H VAL A 73 -8.698 7.953 3.769 1.00 20.21 H new ATOM 0 HA VAL A 73 -10.800 8.288 2.050 1.00 22.23 H new ATOM 0 HB VAL A 73 -10.347 6.020 4.037 1.00 53.45 H new ATOM 0 HG11 VAL A 73 -11.584 4.636 2.420 1.00 14.32 H new ATOM 0 HG12 VAL A 73 -12.592 5.950 3.072 1.00 14.32 H new ATOM 0 HG13 VAL A 73 -11.907 6.082 1.435 1.00 14.32 H new ATOM 0 HG21 VAL A 73 -9.141 4.937 2.184 1.00 34.34 H new ATOM 0 HG22 VAL A 73 -9.367 6.396 1.190 1.00 34.34 H new ATOM 0 HG23 VAL A 73 -8.374 6.469 2.665 1.00 34.34 H new ATOM 1138 N GLY A 74 -12.753 9.127 3.351 1.00 21.03 N ATOM 1139 CA GLY A 74 -13.968 9.511 4.044 1.00 55.33 C ATOM 1140 C GLY A 74 -13.782 10.751 4.897 1.00 75.33 C ATOM 1141 O GLY A 74 -14.319 10.838 6.001 1.00 61.33 O ATOM 0 H GLY A 74 -12.610 9.586 2.452 1.00 21.03 H new ATOM 0 HA2 GLY A 74 -14.757 9.691 3.314 1.00 55.33 H new ATOM 0 HA3 GLY A 74 -14.299 8.686 4.675 1.00 55.33 H new ATOM 1145 N GLU A 75 -13.020 11.711 4.384 1.00 43.13 N ATOM 1146 CA GLU A 75 -12.764 12.950 5.108 1.00 4.14 C ATOM 1147 C GLU A 75 -12.893 14.157 4.184 1.00 4.51 C ATOM 1148 O GLU A 75 -12.434 14.131 3.042 1.00 24.33 O ATOM 1149 CB GLU A 75 -11.368 12.921 5.736 1.00 53.15 C ATOM 1150 CG GLU A 75 -11.373 13.138 7.240 1.00 60.04 C ATOM 1151 CD GLU A 75 -10.072 13.732 7.747 1.00 34.32 C ATOM 1152 OE1 GLU A 75 -9.189 14.023 6.916 1.00 41.15 O ATOM 1153 OE2 GLU A 75 -9.940 13.903 8.977 1.00 0.51 O ATOM 0 H GLU A 75 -12.569 11.655 3.471 1.00 43.13 H new ATOM 0 HA GLU A 75 -13.509 13.039 5.899 1.00 4.14 H new ATOM 0 HB2 GLU A 75 -10.900 11.961 5.517 1.00 53.15 H new ATOM 0 HB3 GLU A 75 -10.752 13.689 5.268 1.00 53.15 H new ATOM 0 HG2 GLU A 75 -12.198 13.799 7.505 1.00 60.04 H new ATOM 0 HG3 GLU A 75 -11.553 12.187 7.740 1.00 60.04 H new ATOM 1160 N VAL A 76 -13.521 15.216 4.686 1.00 13.13 N ATOM 1161 CA VAL A 76 -13.710 16.433 3.907 1.00 13.40 C ATOM 1162 C VAL A 76 -12.645 17.472 4.242 1.00 63.43 C ATOM 1163 O VAL A 76 -12.268 17.636 5.401 1.00 3.51 O ATOM 1164 CB VAL A 76 -15.102 17.046 4.152 1.00 73.21 C ATOM 1165 CG1 VAL A 76 -15.280 18.314 3.332 1.00 71.04 C ATOM 1166 CG2 VAL A 76 -16.193 16.035 3.827 1.00 2.23 C ATOM 0 H VAL A 76 -13.907 15.255 5.629 1.00 13.13 H new ATOM 0 HA VAL A 76 -13.623 16.152 2.857 1.00 13.40 H new ATOM 0 HB VAL A 76 -15.183 17.310 5.207 1.00 73.21 H new ATOM 0 HG11 VAL A 76 -16.269 18.732 3.519 1.00 71.04 H new ATOM 0 HG12 VAL A 76 -14.519 19.041 3.616 1.00 71.04 H new ATOM 0 HG13 VAL A 76 -15.179 18.079 2.272 1.00 71.04 H new ATOM 0 HG21 VAL A 76 -17.170 16.484 4.006 1.00 2.23 H new ATOM 0 HG22 VAL A 76 -16.115 15.739 2.781 1.00 2.23 H new ATOM 0 HG23 VAL A 76 -16.076 15.157 4.462 1.00 2.23 H new ATOM 1176 N SER A 77 -12.164 18.169 3.217 1.00 20.11 N ATOM 1177 CA SER A 77 -11.139 19.190 3.402 1.00 74.21 C ATOM 1178 C SER A 77 -11.761 20.509 3.849 1.00 51.33 C ATOM 1179 O SER A 77 -12.927 20.557 4.238 1.00 21.04 O ATOM 1180 CB SER A 77 -10.356 19.396 2.104 1.00 11.33 C ATOM 1181 OG SER A 77 -10.951 20.402 1.303 1.00 3.32 O ATOM 0 H SER A 77 -12.467 18.045 2.251 1.00 20.11 H new ATOM 0 HA SER A 77 -10.456 18.849 4.180 1.00 74.21 H new ATOM 0 HB2 SER A 77 -9.328 19.673 2.336 1.00 11.33 H new ATOM 0 HB3 SER A 77 -10.316 18.460 1.547 1.00 11.33 H new ATOM 0 HG SER A 77 -10.375 21.195 1.292 1.00 3.32 H new ATOM 1187 N GLU A 78 -10.973 21.578 3.788 1.00 50.44 N ATOM 1188 CA GLU A 78 -11.446 22.899 4.187 1.00 24.31 C ATOM 1189 C GLU A 78 -11.690 23.781 2.966 1.00 14.03 C ATOM 1190 O GLU A 78 -11.200 23.515 1.869 1.00 53.23 O ATOM 1191 CB GLU A 78 -10.431 23.568 5.118 1.00 33.14 C ATOM 1192 CG GLU A 78 -8.988 23.214 4.801 1.00 10.12 C ATOM 1193 CD GLU A 78 -8.004 23.887 5.736 1.00 5.33 C ATOM 1194 OE1 GLU A 78 -8.382 24.892 6.374 1.00 53.12 O ATOM 1195 OE2 GLU A 78 -6.854 23.410 5.832 1.00 70.33 O ATOM 0 H GLU A 78 -10.005 21.555 3.467 1.00 50.44 H new ATOM 0 HA GLU A 78 -12.390 22.774 4.718 1.00 24.31 H new ATOM 0 HB2 GLU A 78 -10.553 24.649 5.057 1.00 33.14 H new ATOM 0 HB3 GLU A 78 -10.649 23.280 6.146 1.00 33.14 H new ATOM 0 HG2 GLU A 78 -8.861 22.133 4.863 1.00 10.12 H new ATOM 0 HG3 GLU A 78 -8.764 23.503 3.774 1.00 10.12 H new ATOM 1202 N PRO A 79 -12.469 24.856 3.161 1.00 1.43 N ATOM 1203 CA PRO A 79 -12.798 25.799 2.089 1.00 43.43 C ATOM 1204 C PRO A 79 -11.592 26.628 1.655 1.00 54.14 C ATOM 1205 O PRO A 79 -11.392 27.745 2.133 1.00 62.31 O ATOM 1206 CB PRO A 79 -13.864 26.697 2.720 1.00 51.51 C ATOM 1207 CG PRO A 79 -13.603 26.622 4.185 1.00 53.31 C ATOM 1208 CD PRO A 79 -13.087 25.234 4.443 1.00 43.23 C ATOM 0 HA PRO A 79 -13.132 25.288 1.186 1.00 43.43 H new ATOM 0 HB2 PRO A 79 -13.785 27.721 2.356 1.00 51.51 H new ATOM 0 HB3 PRO A 79 -14.868 26.349 2.478 1.00 51.51 H new ATOM 0 HG2 PRO A 79 -12.874 27.372 4.490 1.00 53.31 H new ATOM 0 HG3 PRO A 79 -14.513 26.812 4.754 1.00 53.31 H new ATOM 0 HD2 PRO A 79 -12.363 25.219 5.258 1.00 43.23 H new ATOM 0 HD3 PRO A 79 -13.891 24.551 4.718 1.00 43.23 H new ATOM 1216 N ILE A 80 -10.795 26.073 0.748 1.00 2.32 N ATOM 1217 CA ILE A 80 -9.611 26.763 0.251 1.00 43.11 C ATOM 1218 C ILE A 80 -9.987 27.843 -0.758 1.00 34.21 C ATOM 1219 O ILE A 80 -10.433 27.546 -1.867 1.00 1.44 O ATOM 1220 CB ILE A 80 -8.624 25.781 -0.410 1.00 32.12 C ATOM 1221 CG1 ILE A 80 -8.410 24.560 0.487 1.00 44.44 C ATOM 1222 CG2 ILE A 80 -7.301 26.474 -0.697 1.00 42.43 C ATOM 1223 CD1 ILE A 80 -7.768 24.892 1.816 1.00 72.41 C ATOM 0 H ILE A 80 -10.947 25.149 0.343 1.00 2.32 H new ATOM 0 HA ILE A 80 -9.130 27.226 1.113 1.00 43.11 H new ATOM 0 HB ILE A 80 -9.047 25.443 -1.356 1.00 32.12 H new ATOM 0 HG12 ILE A 80 -9.371 24.079 0.667 1.00 44.44 H new ATOM 0 HG13 ILE A 80 -7.785 23.838 -0.039 1.00 44.44 H new ATOM 0 HG21 ILE A 80 -6.614 25.768 -1.164 1.00 42.43 H new ATOM 0 HG22 ILE A 80 -7.469 27.315 -1.370 1.00 42.43 H new ATOM 0 HG23 ILE A 80 -6.870 26.836 0.236 1.00 42.43 H new ATOM 0 HD11 ILE A 80 -7.647 23.979 2.400 1.00 72.41 H new ATOM 0 HD12 ILE A 80 -6.792 25.346 1.645 1.00 72.41 H new ATOM 0 HD13 ILE A 80 -8.402 25.590 2.362 1.00 72.41 H new ATOM 1235 N LYS A 81 -9.803 29.100 -0.366 1.00 71.44 N ATOM 1236 CA LYS A 81 -10.120 30.227 -1.236 1.00 23.40 C ATOM 1237 C LYS A 81 -9.080 30.367 -2.344 1.00 14.32 C ATOM 1238 O LYS A 81 -7.898 30.577 -2.075 1.00 1.30 O ATOM 1239 CB LYS A 81 -10.191 31.520 -0.422 1.00 13.10 C ATOM 1240 CG LYS A 81 -10.615 32.729 -1.237 1.00 51.44 C ATOM 1241 CD LYS A 81 -12.064 33.103 -0.971 1.00 23.11 C ATOM 1242 CE LYS A 81 -12.186 34.052 0.210 1.00 12.03 C ATOM 1243 NZ LYS A 81 -13.484 34.781 0.204 1.00 74.14 N ATOM 0 H LYS A 81 -9.436 29.364 0.548 1.00 71.44 H new ATOM 0 HA LYS A 81 -11.091 30.040 -1.695 1.00 23.40 H new ATOM 0 HB2 LYS A 81 -10.892 31.383 0.401 1.00 13.10 H new ATOM 0 HB3 LYS A 81 -9.214 31.715 0.020 1.00 13.10 H new ATOM 0 HG2 LYS A 81 -9.970 33.575 -0.997 1.00 51.44 H new ATOM 0 HG3 LYS A 81 -10.482 32.518 -2.298 1.00 51.44 H new ATOM 0 HD2 LYS A 81 -12.490 33.569 -1.859 1.00 23.11 H new ATOM 0 HD3 LYS A 81 -12.644 32.201 -0.776 1.00 23.11 H new ATOM 0 HE2 LYS A 81 -12.089 33.490 1.139 1.00 12.03 H new ATOM 0 HE3 LYS A 81 -11.366 34.770 0.185 1.00 12.03 H new ATOM 0 HZ1 LYS A 81 -13.346 35.738 0.586 1.00 74.14 H new ATOM 0 HZ2 LYS A 81 -13.842 34.845 -0.770 1.00 74.14 H new ATOM 0 HZ3 LYS A 81 -14.172 34.269 0.792 1.00 74.14 H new ATOM 1257 N SER A 82 -9.531 30.252 -3.589 1.00 41.04 N ATOM 1258 CA SER A 82 -8.639 30.364 -4.738 1.00 1.04 C ATOM 1259 C SER A 82 -9.290 31.178 -5.853 1.00 21.33 C ATOM 1260 O SER A 82 -10.361 31.755 -5.670 1.00 5.04 O ATOM 1261 CB SER A 82 -8.264 28.975 -5.256 1.00 1.02 C ATOM 1262 OG SER A 82 -7.176 29.046 -6.161 1.00 50.05 O ATOM 0 H SER A 82 -10.508 30.081 -3.828 1.00 41.04 H new ATOM 0 HA SER A 82 -7.734 30.880 -4.416 1.00 1.04 H new ATOM 0 HB2 SER A 82 -8.003 28.329 -4.418 1.00 1.02 H new ATOM 0 HB3 SER A 82 -9.124 28.523 -5.751 1.00 1.02 H new ATOM 0 HG SER A 82 -7.246 28.318 -6.814 1.00 50.05 H new ATOM 1268 N GLU A 83 -8.634 31.217 -7.008 1.00 63.34 N ATOM 1269 CA GLU A 83 -9.148 31.959 -8.153 1.00 4.30 C ATOM 1270 C GLU A 83 -10.540 31.467 -8.540 1.00 5.13 C ATOM 1271 O GLU A 83 -11.325 32.202 -9.139 1.00 70.15 O ATOM 1272 CB GLU A 83 -8.198 31.824 -9.344 1.00 45.42 C ATOM 1273 CG GLU A 83 -7.946 30.386 -9.764 1.00 34.31 C ATOM 1274 CD GLU A 83 -6.745 30.246 -10.678 1.00 43.23 C ATOM 1275 OE1 GLU A 83 -6.922 30.353 -11.909 1.00 43.45 O ATOM 1276 OE2 GLU A 83 -5.629 30.028 -10.162 1.00 45.33 O ATOM 0 H GLU A 83 -7.746 30.744 -7.176 1.00 63.34 H new ATOM 0 HA GLU A 83 -9.218 33.009 -7.871 1.00 4.30 H new ATOM 0 HB2 GLU A 83 -8.610 32.373 -10.190 1.00 45.42 H new ATOM 0 HB3 GLU A 83 -7.246 32.292 -9.093 1.00 45.42 H new ATOM 0 HG2 GLU A 83 -7.795 29.773 -8.875 1.00 34.31 H new ATOM 0 HG3 GLU A 83 -8.830 29.999 -10.271 1.00 34.31 H new ATOM 1283 N PHE A 84 -10.837 30.219 -8.194 1.00 3.33 N ATOM 1284 CA PHE A 84 -12.133 29.628 -8.506 1.00 25.40 C ATOM 1285 C PHE A 84 -13.078 29.726 -7.312 1.00 21.22 C ATOM 1286 O PHE A 84 -14.295 29.632 -7.460 1.00 62.32 O ATOM 1287 CB PHE A 84 -11.963 28.163 -8.917 1.00 10.33 C ATOM 1288 CG PHE A 84 -10.876 27.948 -9.932 1.00 30.33 C ATOM 1289 CD1 PHE A 84 -10.878 28.649 -11.126 1.00 44.03 C ATOM 1290 CD2 PHE A 84 -9.855 27.044 -9.690 1.00 30.34 C ATOM 1291 CE1 PHE A 84 -9.879 28.453 -12.062 1.00 22.22 C ATOM 1292 CE2 PHE A 84 -8.853 26.844 -10.622 1.00 33.30 C ATOM 1293 CZ PHE A 84 -8.866 27.549 -11.809 1.00 61.35 C ATOM 0 H PHE A 84 -10.198 29.598 -7.698 1.00 3.33 H new ATOM 0 HA PHE A 84 -12.567 30.184 -9.337 1.00 25.40 H new ATOM 0 HB2 PHE A 84 -11.744 27.568 -8.030 1.00 10.33 H new ATOM 0 HB3 PHE A 84 -12.906 27.796 -9.323 1.00 10.33 H new ATOM 0 HD1 PHE A 84 -11.668 29.357 -11.329 1.00 44.03 H new ATOM 0 HD2 PHE A 84 -9.841 26.489 -8.763 1.00 30.34 H new ATOM 0 HE1 PHE A 84 -9.891 29.006 -12.990 1.00 22.22 H new ATOM 0 HE2 PHE A 84 -8.061 26.137 -10.422 1.00 33.30 H new ATOM 0 HZ PHE A 84 -8.085 27.394 -12.539 1.00 61.35 H new ATOM 1303 N GLY A 85 -12.506 29.916 -6.127 1.00 12.42 N ATOM 1304 CA GLY A 85 -13.311 30.023 -4.924 1.00 5.23 C ATOM 1305 C GLY A 85 -12.934 28.991 -3.880 1.00 23.31 C ATOM 1306 O GLY A 85 -11.799 28.513 -3.850 1.00 53.32 O ATOM 0 H GLY A 85 -11.500 29.998 -5.979 1.00 12.42 H new ATOM 0 HA2 GLY A 85 -13.196 31.021 -4.502 1.00 5.23 H new ATOM 0 HA3 GLY A 85 -14.363 29.905 -5.183 1.00 5.23 H new ATOM 1310 N TYR A 86 -13.886 28.647 -3.020 1.00 73.53 N ATOM 1311 CA TYR A 86 -13.648 27.667 -1.968 1.00 25.41 C ATOM 1312 C TYR A 86 -13.644 26.250 -2.533 1.00 24.33 C ATOM 1313 O TYR A 86 -14.617 25.810 -3.147 1.00 10.14 O ATOM 1314 CB TYR A 86 -14.713 27.789 -0.876 1.00 51.45 C ATOM 1315 CG TYR A 86 -14.664 29.102 -0.128 1.00 10.33 C ATOM 1316 CD1 TYR A 86 -13.506 29.513 0.519 1.00 10.00 C ATOM 1317 CD2 TYR A 86 -15.778 29.932 -0.068 1.00 5.20 C ATOM 1318 CE1 TYR A 86 -13.458 30.712 1.204 1.00 24.42 C ATOM 1319 CE2 TYR A 86 -15.738 31.132 0.614 1.00 43.24 C ATOM 1320 CZ TYR A 86 -14.575 31.518 1.249 1.00 32.30 C ATOM 1321 OH TYR A 86 -14.531 32.713 1.929 1.00 25.04 O ATOM 0 H TYR A 86 -14.830 29.033 -3.031 1.00 73.53 H new ATOM 0 HA TYR A 86 -12.668 27.869 -1.535 1.00 25.41 H new ATOM 0 HB2 TYR A 86 -15.699 27.674 -1.327 1.00 51.45 H new ATOM 0 HB3 TYR A 86 -14.589 26.971 -0.166 1.00 51.45 H new ATOM 0 HD1 TYR A 86 -12.628 28.885 0.486 1.00 10.00 H new ATOM 0 HD2 TYR A 86 -16.690 29.633 -0.563 1.00 5.20 H new ATOM 0 HE1 TYR A 86 -12.549 31.016 1.702 1.00 24.42 H new ATOM 0 HE2 TYR A 86 -16.612 31.765 0.650 1.00 43.24 H new ATOM 0 HH TYR A 86 -15.401 33.160 1.862 1.00 25.04 H new ATOM 1331 N HIS A 87 -12.542 25.537 -2.320 1.00 45.41 N ATOM 1332 CA HIS A 87 -12.409 24.169 -2.807 1.00 10.43 C ATOM 1333 C HIS A 87 -12.663 23.167 -1.685 1.00 24.20 C ATOM 1334 O HIS A 87 -11.995 23.197 -0.651 1.00 63.32 O ATOM 1335 CB HIS A 87 -11.017 23.948 -3.399 1.00 22.24 C ATOM 1336 CG HIS A 87 -10.812 24.629 -4.717 1.00 44.12 C ATOM 1337 ND1 HIS A 87 -11.016 24.003 -5.928 1.00 45.11 N ATOM 1338 CD2 HIS A 87 -10.419 25.891 -5.009 1.00 65.11 C ATOM 1339 CE1 HIS A 87 -10.756 24.850 -6.908 1.00 65.22 C ATOM 1340 NE2 HIS A 87 -10.392 26.003 -6.378 1.00 30.13 N ATOM 0 H HIS A 87 -11.728 25.885 -1.813 1.00 45.41 H new ATOM 0 HA HIS A 87 -13.155 24.013 -3.586 1.00 10.43 H new ATOM 0 HB2 HIS A 87 -10.269 24.309 -2.693 1.00 22.24 H new ATOM 0 HB3 HIS A 87 -10.849 22.878 -3.522 1.00 22.24 H new ATOM 0 HD1 HIS A 87 -11.320 23.037 -6.049 1.00 45.11 H new ATOM 0 HD2 HIS A 87 -10.173 26.666 -4.298 1.00 65.11 H new ATOM 0 HE1 HIS A 87 -10.829 24.635 -7.964 1.00 65.22 H new ATOM 1348 N ILE A 88 -13.631 22.282 -1.896 1.00 72.32 N ATOM 1349 CA ILE A 88 -13.972 21.272 -0.903 1.00 63.21 C ATOM 1350 C ILE A 88 -13.617 19.873 -1.396 1.00 50.15 C ATOM 1351 O ILE A 88 -14.445 19.188 -1.997 1.00 30.40 O ATOM 1352 CB ILE A 88 -15.471 21.313 -0.548 1.00 24.23 C ATOM 1353 CG1 ILE A 88 -15.853 22.697 -0.017 1.00 65.32 C ATOM 1354 CG2 ILE A 88 -15.803 20.237 0.474 1.00 24.42 C ATOM 1355 CD1 ILE A 88 -15.159 23.060 1.277 1.00 65.35 C ATOM 0 H ILE A 88 -14.193 22.244 -2.746 1.00 72.32 H new ATOM 0 HA ILE A 88 -13.389 21.499 -0.011 1.00 63.21 H new ATOM 0 HB ILE A 88 -16.049 21.118 -1.451 1.00 24.23 H new ATOM 0 HG12 ILE A 88 -15.612 23.446 -0.772 1.00 65.32 H new ATOM 0 HG13 ILE A 88 -16.932 22.734 0.136 1.00 65.32 H new ATOM 0 HG21 ILE A 88 -16.865 20.279 0.714 1.00 24.42 H new ATOM 0 HG22 ILE A 88 -15.563 19.257 0.062 1.00 24.42 H new ATOM 0 HG23 ILE A 88 -15.219 20.403 1.379 1.00 24.42 H new ATOM 0 HD11 ILE A 88 -15.477 24.053 1.594 1.00 65.35 H new ATOM 0 HD12 ILE A 88 -15.419 22.333 2.046 1.00 65.35 H new ATOM 0 HD13 ILE A 88 -14.080 23.056 1.125 1.00 65.35 H new ATOM 1367 N ILE A 89 -12.382 19.457 -1.138 1.00 62.42 N ATOM 1368 CA ILE A 89 -11.918 18.139 -1.554 1.00 72.32 C ATOM 1369 C ILE A 89 -12.333 17.068 -0.550 1.00 61.32 C ATOM 1370 O ILE A 89 -12.204 17.253 0.660 1.00 35.31 O ATOM 1371 CB ILE A 89 -10.387 18.107 -1.719 1.00 61.13 C ATOM 1372 CG1 ILE A 89 -9.910 19.337 -2.493 1.00 53.02 C ATOM 1373 CG2 ILE A 89 -9.958 16.831 -2.426 1.00 64.52 C ATOM 1374 CD1 ILE A 89 -9.224 20.368 -1.625 1.00 45.23 C ATOM 0 H ILE A 89 -11.685 20.013 -0.643 1.00 62.42 H new ATOM 0 HA ILE A 89 -12.383 17.930 -2.517 1.00 72.32 H new ATOM 0 HB ILE A 89 -9.929 18.123 -0.730 1.00 61.13 H new ATOM 0 HG12 ILE A 89 -9.223 19.019 -3.277 1.00 53.02 H new ATOM 0 HG13 ILE A 89 -10.765 19.800 -2.986 1.00 53.02 H new ATOM 0 HG21 ILE A 89 -8.874 16.823 -2.535 1.00 64.52 H new ATOM 0 HG22 ILE A 89 -10.270 15.967 -1.839 1.00 64.52 H new ATOM 0 HG23 ILE A 89 -10.422 16.787 -3.411 1.00 64.52 H new ATOM 0 HD11 ILE A 89 -8.912 21.212 -2.240 1.00 45.23 H new ATOM 0 HD12 ILE A 89 -9.915 20.714 -0.856 1.00 45.23 H new ATOM 0 HD13 ILE A 89 -8.349 19.921 -1.152 1.00 45.23 H new ATOM 1386 N LYS A 90 -12.829 15.947 -1.061 1.00 62.12 N ATOM 1387 CA LYS A 90 -13.260 14.843 -0.211 1.00 43.14 C ATOM 1388 C LYS A 90 -12.785 13.507 -0.773 1.00 31.34 C ATOM 1389 O LYS A 90 -13.100 13.154 -1.909 1.00 24.33 O ATOM 1390 CB LYS A 90 -14.784 14.840 -0.077 1.00 74.35 C ATOM 1391 CG LYS A 90 -15.315 13.734 0.818 1.00 23.20 C ATOM 1392 CD LYS A 90 -16.776 13.437 0.531 1.00 55.12 C ATOM 1393 CE LYS A 90 -17.132 11.998 0.873 1.00 24.33 C ATOM 1394 NZ LYS A 90 -18.593 11.741 0.745 1.00 44.44 N ATOM 0 H LYS A 90 -12.943 15.778 -2.061 1.00 62.12 H new ATOM 0 HA LYS A 90 -12.816 14.981 0.775 1.00 43.14 H new ATOM 0 HB2 LYS A 90 -15.107 15.803 0.319 1.00 74.35 H new ATOM 0 HB3 LYS A 90 -15.227 14.738 -1.068 1.00 74.35 H new ATOM 0 HG2 LYS A 90 -14.724 12.830 0.671 1.00 23.20 H new ATOM 0 HG3 LYS A 90 -15.200 14.024 1.863 1.00 23.20 H new ATOM 0 HD2 LYS A 90 -17.406 14.115 1.107 1.00 55.12 H new ATOM 0 HD3 LYS A 90 -16.986 13.624 -0.522 1.00 55.12 H new ATOM 0 HE2 LYS A 90 -16.586 11.323 0.214 1.00 24.33 H new ATOM 0 HE3 LYS A 90 -16.813 11.777 1.892 1.00 24.33 H new ATOM 0 HZ1 LYS A 90 -18.820 10.815 1.161 1.00 44.44 H new ATOM 0 HZ2 LYS A 90 -19.121 12.484 1.245 1.00 44.44 H new ATOM 0 HZ3 LYS A 90 -18.859 11.744 -0.260 1.00 44.44 H new ATOM 1408 N ARG A 91 -12.029 12.767 0.032 1.00 34.12 N ATOM 1409 CA ARG A 91 -11.513 11.469 -0.385 1.00 44.11 C ATOM 1410 C ARG A 91 -12.638 10.443 -0.489 1.00 44.21 C ATOM 1411 O ARG A 91 -13.579 10.457 0.305 1.00 72.53 O ATOM 1412 CB ARG A 91 -10.451 10.978 0.602 1.00 61.42 C ATOM 1413 CG ARG A 91 -9.505 9.944 0.014 1.00 31.21 C ATOM 1414 CD ARG A 91 -8.138 9.999 0.676 1.00 23.20 C ATOM 1415 NE ARG A 91 -7.504 8.685 0.735 1.00 71.45 N ATOM 1416 CZ ARG A 91 -6.214 8.501 0.994 1.00 62.43 C ATOM 1417 NH1 ARG A 91 -5.425 9.542 1.217 1.00 51.12 N ATOM 1418 NH2 ARG A 91 -5.711 7.274 1.029 1.00 32.35 N ATOM 0 H ARG A 91 -11.761 13.044 0.976 1.00 34.12 H new ATOM 0 HA ARG A 91 -11.060 11.586 -1.369 1.00 44.11 H new ATOM 0 HB2 ARG A 91 -9.871 11.831 0.952 1.00 61.42 H new ATOM 0 HB3 ARG A 91 -10.947 10.550 1.473 1.00 61.42 H new ATOM 0 HG2 ARG A 91 -9.930 8.948 0.138 1.00 31.21 H new ATOM 0 HG3 ARG A 91 -9.399 10.114 -1.057 1.00 31.21 H new ATOM 0 HD2 ARG A 91 -7.496 10.686 0.125 1.00 23.20 H new ATOM 0 HD3 ARG A 91 -8.240 10.398 1.685 1.00 23.20 H new ATOM 0 HE ARG A 91 -8.084 7.863 0.568 1.00 71.45 H new ATOM 0 HH11 ARG A 91 -5.808 10.487 1.190 1.00 51.12 H new ATOM 0 HH12 ARG A 91 -4.435 9.398 1.416 1.00 51.12 H new ATOM 0 HH21 ARG A 91 -6.315 6.470 0.857 1.00 32.35 H new ATOM 0 HH22 ARG A 91 -4.720 7.134 1.228 1.00 32.35 H new ATOM 1432 N PHE A 92 -12.534 9.557 -1.474 1.00 4.42 N ATOM 1433 CA PHE A 92 -13.543 8.526 -1.684 1.00 35.53 C ATOM 1434 C PHE A 92 -12.930 7.133 -1.570 1.00 24.10 C ATOM 1435 O PHE A 92 -13.587 6.187 -1.140 1.00 20.24 O ATOM 1436 CB PHE A 92 -14.200 8.696 -3.056 1.00 2.24 C ATOM 1437 CG PHE A 92 -15.374 9.632 -3.046 1.00 20.12 C ATOM 1438 CD1 PHE A 92 -15.244 10.922 -2.557 1.00 54.35 C ATOM 1439 CD2 PHE A 92 -16.607 9.222 -3.526 1.00 43.54 C ATOM 1440 CE1 PHE A 92 -16.323 11.785 -2.548 1.00 11.24 C ATOM 1441 CE2 PHE A 92 -17.690 10.082 -3.519 1.00 51.24 C ATOM 1442 CZ PHE A 92 -17.548 11.365 -3.030 1.00 44.12 C ATOM 0 H PHE A 92 -11.761 9.532 -2.139 1.00 4.42 H new ATOM 0 HA PHE A 92 -14.302 8.634 -0.910 1.00 35.53 H new ATOM 0 HB2 PHE A 92 -13.457 9.066 -3.763 1.00 2.24 H new ATOM 0 HB3 PHE A 92 -14.526 7.721 -3.417 1.00 2.24 H new ATOM 0 HD1 PHE A 92 -14.289 11.256 -2.179 1.00 54.35 H new ATOM 0 HD2 PHE A 92 -16.724 8.219 -3.910 1.00 43.54 H new ATOM 0 HE1 PHE A 92 -16.209 12.788 -2.164 1.00 11.24 H new ATOM 0 HE2 PHE A 92 -18.646 9.750 -3.896 1.00 51.24 H new ATOM 0 HZ PHE A 92 -18.392 12.039 -3.024 1.00 44.12 H new ATOM 1452 N GLY A 93 -11.664 7.017 -1.959 1.00 55.03 N ATOM 1453 CA GLY A 93 -10.983 5.737 -1.895 1.00 1.12 C ATOM 1454 C GLY A 93 -11.059 5.109 -0.517 1.00 54.11 C ATOM 1455 O GLY A 93 -11.132 3.888 -0.389 1.00 34.52 O ATOM 0 H GLY A 93 -11.098 7.786 -2.317 1.00 55.03 H new ATOM 0 HA2 GLY A 93 -11.423 5.058 -2.625 1.00 1.12 H new ATOM 0 HA3 GLY A 93 -9.938 5.871 -2.173 1.00 1.12 H new TER 1459 GLY A 93