USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 679 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 13 HIS : no HD1:sc= -0.986 K(o=-5.8,f=-8.3) USER MOD Set 1.2: A 81 HIS : no HD1:sc= -4.78! C(o=-5.8!,f=-13!) USER MOD Set 2.1: A 60 GLN : amide:sc= -0.143 K(o=-0.56,f=-1.4) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.422 K(o=-0.56,f=-1.4) USER MOD Set 3.1: A 12 ASN : amide:sc= 1.51 K(o=2.7,f=-0.74) USER MOD Set 3.2: A 46 SER OG : rot -153:sc= 1.21 USER MOD Set 4.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 23 ASN : amide:sc= -0.0306 K(o=1.8,f=1.2) USER MOD Set 5.2: A 28 LYS NZ :NH3+ -167:sc= 1.8 (180deg=1.56) USER MOD Set 6.1: A 27 CYS SG : rot 121:sc= 0.367 USER MOD Set 6.2: A 37 CYS SG : rot 26:sc= 0.32 USER MOD Set 7.1: A 22 CYS SG : rot 180:sc= -0.718 USER MOD Set 7.2: A 54 GLN : amide:sc= -0.35 X(o=-1.1,f=-1.5) USER MOD Single : A 1 MET CE :methyl -173:sc= -0.205 (180deg=-0.351) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.329 (180deg=-0.479) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 16 SER OG : rot -58:sc= 1.33 USER MOD Single : A 17 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.9!) USER MOD Single : A 20 THR OG1 : rot -11:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.0724 USER MOD Single : A 26 TYR OH : rot 21:sc= 0.942 USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0.811 (180deg=0.785) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= 0.0516 USER MOD Single : A 32 TYR OH : rot 81:sc= 1.04 USER MOD Single : A 33 HIS : no HE2:sc= -0.552 K(o=-0.55,f=-2.9) USER MOD Single : A 35 GLN : amide:sc= -0.0265 K(o=-0.026,f=-1.1) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 45:sc= 0.402 USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= 2.53 (180deg=2.27) USER MOD Single : A 47 TYR OH : rot -106:sc= 0.283 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -115:sc= 1.3 (180deg=0.0354) USER MOD Single : A 63 GLN : amide:sc= 0.686 K(o=0.69,f=-0.82) USER MOD Single : A 65 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.32) USER MOD Single : A 66 GLN : amide:sc= 0.0738 K(o=0.074,f=-4.3!) USER MOD Single : A 72 GLN : amide:sc= 0.391 K(o=0.39,f=-2.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.735 4.433 -1.400 1.00 0.00 N ATOM 2 CA MET A 1 10.334 4.919 -1.588 1.00 0.00 C ATOM 3 C MET A 1 10.006 6.251 -0.831 1.00 0.00 C ATOM 4 O MET A 1 9.586 7.232 -1.445 1.00 0.00 O ATOM 5 CB MET A 1 9.341 3.768 -1.260 1.00 0.00 C ATOM 6 CG MET A 1 9.363 2.560 -2.216 1.00 0.00 C ATOM 7 SD MET A 1 8.331 1.242 -1.560 1.00 0.00 S ATOM 8 CE MET A 1 8.548 0.041 -2.880 1.00 0.00 C ATOM 0 H1 MET A 1 12.150 4.204 -2.326 1.00 0.00 H new ATOM 0 H2 MET A 1 12.301 5.175 -0.941 1.00 0.00 H new ATOM 0 H3 MET A 1 11.730 3.582 -0.803 1.00 0.00 H new ATOM 0 HA MET A 1 10.220 5.194 -2.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.551 3.411 -0.252 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.331 4.179 -1.249 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.005 2.858 -3.201 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.385 2.204 -2.343 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.881 -0.805 -2.715 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.313 0.506 -3.837 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.581 -0.307 -2.889 1.00 0.00 H new ATOM 19 N ASP A 2 10.224 6.325 0.498 1.00 0.00 N ATOM 20 CA ASP A 2 10.033 7.577 1.290 1.00 0.00 C ATOM 21 C ASP A 2 10.752 8.913 0.801 1.00 0.00 C ATOM 22 O ASP A 2 10.086 9.949 0.900 1.00 0.00 O ATOM 23 CB ASP A 2 10.294 7.194 2.775 1.00 0.00 C ATOM 24 CG ASP A 2 9.667 8.113 3.820 1.00 0.00 C ATOM 25 OD1 ASP A 2 9.937 9.327 3.819 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.960 7.621 4.721 1.00 0.00 O ATOM 0 H ASP A 2 10.535 5.531 1.057 1.00 0.00 H new ATOM 0 HA ASP A 2 9.009 7.915 1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.923 6.182 2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.371 7.170 2.940 1.00 0.00 H new ATOM 31 N PRO A 3 12.011 9.018 0.258 1.00 0.00 N ATOM 32 CA PRO A 3 12.586 10.321 -0.202 1.00 0.00 C ATOM 33 C PRO A 3 11.977 11.071 -1.442 1.00 0.00 C ATOM 34 O PRO A 3 12.430 12.188 -1.701 1.00 0.00 O ATOM 35 CB PRO A 3 14.083 9.978 -0.356 1.00 0.00 C ATOM 36 CG PRO A 3 14.129 8.482 -0.651 1.00 0.00 C ATOM 37 CD PRO A 3 12.969 7.904 0.153 1.00 0.00 C ATOM 0 HA PRO A 3 12.337 11.093 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.536 10.552 -1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.636 10.216 0.553 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.013 8.283 -1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.080 8.046 -0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.526 7.044 -0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.296 7.566 1.136 1.00 0.00 H new ATOM 45 N VAL A 4 10.927 10.577 -2.132 1.00 0.00 N ATOM 46 CA VAL A 4 10.301 11.285 -3.304 1.00 0.00 C ATOM 47 C VAL A 4 9.357 12.449 -2.797 1.00 0.00 C ATOM 48 O VAL A 4 9.867 13.473 -2.325 1.00 0.00 O ATOM 49 CB VAL A 4 9.694 10.240 -4.322 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.167 10.897 -5.623 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.668 9.127 -4.783 1.00 0.00 C ATOM 0 H VAL A 4 10.482 9.687 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 4 11.046 11.807 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 4 8.889 9.801 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.763 10.128 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.383 11.613 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.984 11.413 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.157 8.462 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.528 9.578 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.005 8.557 -3.917 1.00 0.00 H new ATOM 61 N ASP A 5 8.014 12.309 -2.816 1.00 0.00 N ATOM 62 CA ASP A 5 7.066 13.305 -2.224 1.00 0.00 C ATOM 63 C ASP A 5 5.847 12.708 -1.414 1.00 0.00 C ATOM 64 O ASP A 5 5.678 13.168 -0.274 1.00 0.00 O ATOM 65 CB ASP A 5 6.868 14.597 -3.063 1.00 0.00 C ATOM 66 CG ASP A 5 6.028 14.624 -4.326 1.00 0.00 C ATOM 67 OD1 ASP A 5 5.849 13.598 -5.007 1.00 0.00 O ATOM 68 OD2 ASP A 5 5.540 15.727 -4.656 1.00 0.00 O ATOM 0 H ASP A 5 7.547 11.507 -3.239 1.00 0.00 H new ATOM 0 HA ASP A 5 7.599 13.729 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.446 15.344 -2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.863 14.944 -3.342 1.00 0.00 H new ATOM 73 N PRO A 6 5.024 11.681 -1.800 1.00 0.00 N ATOM 74 CA PRO A 6 4.915 11.141 -3.187 1.00 0.00 C ATOM 75 C PRO A 6 3.557 11.483 -3.910 1.00 0.00 C ATOM 76 O PRO A 6 2.476 11.338 -3.327 1.00 0.00 O ATOM 77 CB PRO A 6 5.047 9.635 -2.875 1.00 0.00 C ATOM 78 CG PRO A 6 4.303 9.420 -1.551 1.00 0.00 C ATOM 79 CD PRO A 6 4.476 10.738 -0.796 1.00 0.00 C ATOM 0 HA PRO A 6 5.644 11.553 -3.885 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.613 9.030 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.094 9.343 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.250 9.194 -1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.722 8.584 -0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.526 11.093 -0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.154 10.623 0.050 1.00 0.00 H new ATOM 87 N ASN A 7 3.592 11.866 -5.198 1.00 0.00 N ATOM 88 CA ASN A 7 2.355 12.055 -6.025 1.00 0.00 C ATOM 89 C ASN A 7 1.673 10.691 -6.413 1.00 0.00 C ATOM 90 O ASN A 7 0.721 10.273 -5.748 1.00 0.00 O ATOM 91 CB ASN A 7 2.659 12.965 -7.252 1.00 0.00 C ATOM 92 CG ASN A 7 2.902 14.438 -6.953 1.00 0.00 C ATOM 93 OD1 ASN A 7 2.020 15.161 -6.499 1.00 0.00 O ATOM 94 ND2 ASN A 7 4.082 14.927 -7.215 1.00 0.00 N ATOM 0 H ASN A 7 4.458 12.055 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 7 1.614 12.571 -5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.537 12.570 -7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.824 12.890 -7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.275 15.914 -7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.812 14.323 -7.592 1.00 0.00 H new ATOM 101 N LEU A 8 2.156 10.002 -7.462 1.00 0.00 N ATOM 102 CA LEU A 8 1.784 8.593 -7.771 1.00 0.00 C ATOM 103 C LEU A 8 3.095 7.835 -8.155 1.00 0.00 C ATOM 104 O LEU A 8 3.605 7.948 -9.274 1.00 0.00 O ATOM 105 CB LEU A 8 0.695 8.513 -8.882 1.00 0.00 C ATOM 106 CG LEU A 8 -0.734 8.999 -8.525 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.638 8.942 -9.767 1.00 0.00 C ATOM 108 CD2 LEU A 8 -1.389 8.169 -7.406 1.00 0.00 C ATOM 0 H LEU A 8 2.819 10.401 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 8 1.332 8.119 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.043 9.094 -9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.625 7.476 -9.209 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.628 10.023 -8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.639 9.285 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.227 9.584 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.690 7.916 -10.132 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.387 8.557 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.462 7.128 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.782 8.233 -6.503 1.00 0.00 H new ATOM 120 N GLU A 9 3.661 7.095 -7.194 1.00 0.00 N ATOM 121 CA GLU A 9 5.006 6.471 -7.324 1.00 0.00 C ATOM 122 C GLU A 9 4.951 4.982 -7.855 1.00 0.00 C ATOM 123 O GLU A 9 3.977 4.283 -7.547 1.00 0.00 O ATOM 124 CB GLU A 9 5.608 6.586 -5.896 1.00 0.00 C ATOM 125 CG GLU A 9 7.140 6.386 -5.780 1.00 0.00 C ATOM 126 CD GLU A 9 7.650 6.329 -4.358 1.00 0.00 C ATOM 127 OE1 GLU A 9 7.377 7.247 -3.559 1.00 0.00 O ATOM 128 OE2 GLU A 9 8.294 5.320 -4.020 1.00 0.00 O ATOM 0 H GLU A 9 3.209 6.905 -6.300 1.00 0.00 H new ATOM 0 HA GLU A 9 5.621 6.971 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.360 7.570 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.117 5.851 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.415 5.463 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.642 7.200 -6.302 1.00 0.00 H new ATOM 135 N PRO A 10 5.960 4.415 -8.598 1.00 0.00 N ATOM 136 CA PRO A 10 5.993 2.966 -8.976 1.00 0.00 C ATOM 137 C PRO A 10 5.561 1.854 -7.955 1.00 0.00 C ATOM 138 O PRO A 10 4.833 0.931 -8.334 1.00 0.00 O ATOM 139 CB PRO A 10 7.430 2.814 -9.506 1.00 0.00 C ATOM 140 CG PRO A 10 7.753 4.180 -10.118 1.00 0.00 C ATOM 141 CD PRO A 10 7.074 5.188 -9.189 1.00 0.00 C ATOM 0 HA PRO A 10 5.188 2.763 -9.682 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.125 2.562 -8.705 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.498 2.019 -10.249 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.829 4.348 -10.167 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.371 4.259 -11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.759 5.554 -8.424 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.713 6.059 -9.736 1.00 0.00 H new ATOM 149 N TRP A 11 5.940 1.967 -6.672 1.00 0.00 N ATOM 150 CA TRP A 11 5.085 1.468 -5.562 1.00 0.00 C ATOM 151 C TRP A 11 5.288 2.358 -4.293 1.00 0.00 C ATOM 152 O TRP A 11 6.327 2.259 -3.636 1.00 0.00 O ATOM 153 CB TRP A 11 5.364 -0.019 -5.212 1.00 0.00 C ATOM 154 CG TRP A 11 4.302 -0.682 -4.330 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.113 -1.287 -4.788 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.165 -0.568 -2.962 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.229 -1.563 -3.726 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.904 -1.107 -2.605 1.00 0.00 C ATOM 159 CE3 TRP A 11 5.020 -0.015 -1.974 1.00 0.00 C ATOM 160 CZ2 TRP A 11 2.493 -1.107 -1.254 1.00 0.00 C ATOM 161 CZ3 TRP A 11 4.595 -0.032 -0.645 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.351 -0.572 -0.289 1.00 0.00 C ATOM 0 H TRP A 11 6.817 2.391 -6.371 1.00 0.00 H new ATOM 0 HA TRP A 11 4.051 1.530 -5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.451 -0.586 -6.139 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.328 -0.084 -4.707 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.906 -1.511 -5.824 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.307 -1.997 -3.772 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.976 0.409 -2.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.533 -1.513 -0.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.235 0.378 0.122 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.051 -0.575 0.748 1.00 0.00 H new ATOM 173 N ASN A 12 4.272 3.132 -3.871 1.00 0.00 N ATOM 174 CA ASN A 12 4.222 3.686 -2.485 1.00 0.00 C ATOM 175 C ASN A 12 2.744 3.968 -2.063 1.00 0.00 C ATOM 176 O ASN A 12 2.222 5.063 -2.297 1.00 0.00 O ATOM 177 CB ASN A 12 5.169 4.915 -2.358 1.00 0.00 C ATOM 178 CG ASN A 12 5.661 5.283 -0.960 1.00 0.00 C ATOM 179 OD1 ASN A 12 5.412 4.625 0.049 1.00 0.00 O ATOM 180 ND2 ASN A 12 6.452 6.320 -0.873 1.00 0.00 N ATOM 0 H ASN A 12 3.477 3.392 -4.455 1.00 0.00 H new ATOM 0 HA ASN A 12 4.596 2.948 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.042 4.734 -2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.653 5.781 -2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.858 6.578 0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.664 6.871 -1.705 1.00 0.00 H new ATOM 187 N HIS A 13 2.063 2.986 -1.433 1.00 0.00 N ATOM 188 CA HIS A 13 0.705 3.160 -0.874 1.00 0.00 C ATOM 189 C HIS A 13 0.759 3.312 0.702 1.00 0.00 C ATOM 190 O HIS A 13 1.046 2.319 1.380 1.00 0.00 O ATOM 191 CB HIS A 13 -0.219 1.955 -1.349 1.00 0.00 C ATOM 192 CG HIS A 13 -1.657 2.088 -0.938 1.00 0.00 C ATOM 193 ND1 HIS A 13 -2.550 1.037 -0.747 1.00 0.00 N ATOM 194 CD2 HIS A 13 -2.311 3.311 -0.978 1.00 0.00 C ATOM 195 CE1 HIS A 13 -3.705 1.727 -0.679 1.00 0.00 C ATOM 196 NE2 HIS A 13 -3.652 3.080 -0.810 1.00 0.00 N ATOM 0 H HIS A 13 2.441 2.048 -1.298 1.00 0.00 H new ATOM 0 HA HIS A 13 0.265 4.083 -1.251 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.168 1.878 -2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.179 1.024 -0.945 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.846 4.276 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.646 1.220 -0.525 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.418 3.754 -0.789 1.00 0.00 H new ATOM 205 N PRO A 14 0.445 4.487 1.338 1.00 0.00 N ATOM 206 CA PRO A 14 0.410 4.614 2.826 1.00 0.00 C ATOM 207 C PRO A 14 -0.736 3.892 3.619 1.00 0.00 C ATOM 208 O PRO A 14 -0.442 3.173 4.578 1.00 0.00 O ATOM 209 CB PRO A 14 0.434 6.147 3.036 1.00 0.00 C ATOM 210 CG PRO A 14 1.014 6.720 1.745 1.00 0.00 C ATOM 211 CD PRO A 14 0.461 5.802 0.663 1.00 0.00 C ATOM 0 HA PRO A 14 1.251 4.072 3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.567 6.534 3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.046 6.417 3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.704 7.753 1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.104 6.713 1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.536 6.106 0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.093 5.795 -0.225 1.00 0.00 H new ATOM 219 N GLY A 15 -2.020 4.117 3.282 1.00 0.00 N ATOM 220 CA GLY A 15 -3.166 3.558 4.058 1.00 0.00 C ATOM 221 C GLY A 15 -4.412 3.212 3.218 1.00 0.00 C ATOM 222 O GLY A 15 -4.347 2.316 2.378 1.00 0.00 O ATOM 0 H GLY A 15 -2.300 4.681 2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.832 2.658 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.452 4.277 4.825 1.00 0.00 H new ATOM 226 N SER A 16 -5.544 3.884 3.484 1.00 0.00 N ATOM 227 CA SER A 16 -6.746 3.862 2.597 1.00 0.00 C ATOM 228 C SER A 16 -7.758 5.007 2.974 1.00 0.00 C ATOM 229 O SER A 16 -7.554 6.171 2.616 1.00 0.00 O ATOM 230 CB SER A 16 -7.380 2.452 2.360 1.00 0.00 C ATOM 231 OG SER A 16 -7.941 1.893 3.546 1.00 0.00 O ATOM 0 H SER A 16 -5.664 4.461 4.317 1.00 0.00 H new ATOM 0 HA SER A 16 -6.388 4.096 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.156 2.531 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.618 1.777 1.970 1.00 0.00 H new ATOM 0 HG SER A 16 -7.249 1.830 4.237 1.00 0.00 H new ATOM 237 N GLN A 17 -8.867 4.687 3.658 1.00 0.00 N ATOM 238 CA GLN A 17 -10.108 5.524 3.669 1.00 0.00 C ATOM 239 C GLN A 17 -10.543 6.007 5.110 1.00 0.00 C ATOM 240 O GLN A 17 -10.193 5.334 6.089 1.00 0.00 O ATOM 241 CB GLN A 17 -11.194 4.654 2.959 1.00 0.00 C ATOM 242 CG GLN A 17 -11.129 4.629 1.402 1.00 0.00 C ATOM 243 CD GLN A 17 -11.694 5.860 0.688 1.00 0.00 C ATOM 244 OE1 GLN A 17 -12.655 6.487 1.116 1.00 0.00 O ATOM 245 NE2 GLN A 17 -11.144 6.255 -0.424 1.00 0.00 N ATOM 0 H GLN A 17 -8.943 3.842 4.224 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.944 6.466 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.109 3.631 3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.177 5.018 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.088 4.506 1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.668 3.750 1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.342 5.751 -0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.515 7.068 -0.916 1.00 0.00 H new ATOM 254 N PRO A 18 -11.300 7.130 5.330 1.00 0.00 N ATOM 255 CA PRO A 18 -12.004 7.915 4.268 1.00 0.00 C ATOM 256 C PRO A 18 -11.135 8.991 3.528 1.00 0.00 C ATOM 257 O PRO A 18 -10.610 9.922 4.145 1.00 0.00 O ATOM 258 CB PRO A 18 -13.160 8.529 5.083 1.00 0.00 C ATOM 259 CG PRO A 18 -12.583 8.765 6.481 1.00 0.00 C ATOM 260 CD PRO A 18 -11.630 7.590 6.700 1.00 0.00 C ATOM 0 HA PRO A 18 -12.307 7.298 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.505 9.462 4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.017 7.857 5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.058 9.719 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.368 8.787 7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.736 7.898 7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.101 6.799 7.283 1.00 0.00 H new ATOM 268 N ARG A 19 -10.970 8.808 2.206 1.00 0.00 N ATOM 269 CA ARG A 19 -10.098 9.629 1.298 1.00 0.00 C ATOM 270 C ARG A 19 -8.813 10.343 1.882 1.00 0.00 C ATOM 271 O ARG A 19 -8.622 11.546 1.703 1.00 0.00 O ATOM 272 CB ARG A 19 -11.045 10.530 0.426 1.00 0.00 C ATOM 273 CG ARG A 19 -10.518 10.753 -1.014 1.00 0.00 C ATOM 274 CD ARG A 19 -11.443 11.506 -1.999 1.00 0.00 C ATOM 275 NE ARG A 19 -10.937 11.234 -3.380 1.00 0.00 N ATOM 276 CZ ARG A 19 -11.406 11.732 -4.519 1.00 0.00 C ATOM 277 NH1 ARG A 19 -12.297 12.674 -4.580 1.00 0.00 N ATOM 278 NH2 ARG A 19 -10.944 11.258 -5.636 1.00 0.00 N ATOM 0 H ARG A 19 -11.451 8.060 1.706 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.549 8.920 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.032 10.069 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.168 11.496 0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.578 11.301 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.289 9.778 -1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.474 11.167 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.436 12.576 -1.791 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.145 10.596 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.676 13.073 -3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.618 13.015 -5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.238 10.521 -5.624 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.287 11.622 -6.525 1.00 0.00 H new ATOM 292 N THR A 20 -7.954 9.611 2.620 1.00 0.00 N ATOM 293 CA THR A 20 -7.084 10.234 3.673 1.00 0.00 C ATOM 294 C THR A 20 -5.674 10.727 3.163 1.00 0.00 C ATOM 295 O THR A 20 -5.402 11.923 3.331 1.00 0.00 O ATOM 296 CB THR A 20 -7.073 9.337 4.954 1.00 0.00 C ATOM 297 OG1 THR A 20 -8.384 8.947 5.355 1.00 0.00 O ATOM 298 CG2 THR A 20 -6.464 10.016 6.189 1.00 0.00 C ATOM 0 H THR A 20 -7.835 8.603 2.519 1.00 0.00 H new ATOM 0 HA THR A 20 -7.535 11.184 3.961 1.00 0.00 H new ATOM 0 HB THR A 20 -6.465 8.486 4.648 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.047 9.467 4.855 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.494 9.328 7.034 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.430 10.290 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.035 10.912 6.430 1.00 0.00 H new ATOM 306 N PRO A 21 -4.736 9.945 2.548 1.00 0.00 N ATOM 307 CA PRO A 21 -4.738 8.447 2.553 1.00 0.00 C ATOM 308 C PRO A 21 -4.191 7.681 3.814 1.00 0.00 C ATOM 309 O PRO A 21 -4.657 6.577 4.101 1.00 0.00 O ATOM 310 CB PRO A 21 -3.903 8.151 1.295 1.00 0.00 C ATOM 311 CG PRO A 21 -2.978 9.350 1.088 1.00 0.00 C ATOM 312 CD PRO A 21 -3.846 10.523 1.516 1.00 0.00 C ATOM 0 HA PRO A 21 -5.763 8.078 2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.326 7.235 1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.548 8.006 0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.075 9.273 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.659 9.440 0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.246 11.340 1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.414 10.927 0.678 1.00 0.00 H new ATOM 320 N CYS A 22 -3.229 8.232 4.568 1.00 0.00 N ATOM 321 CA CYS A 22 -2.464 7.480 5.608 1.00 0.00 C ATOM 322 C CYS A 22 -3.234 6.854 6.823 1.00 0.00 C ATOM 323 O CYS A 22 -2.967 5.700 7.163 1.00 0.00 O ATOM 324 CB CYS A 22 -1.336 8.439 6.048 1.00 0.00 C ATOM 325 SG CYS A 22 -0.066 7.576 7.034 1.00 0.00 S ATOM 0 H CYS A 22 -2.950 9.209 4.485 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.117 6.556 5.145 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.873 8.885 5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.759 9.255 6.633 1.00 0.00 H new ATOM 0 HG CYS A 22 0.862 8.419 7.380 1.00 0.00 H new ATOM 331 N ASN A 23 -4.147 7.592 7.494 1.00 0.00 N ATOM 332 CA ASN A 23 -4.756 7.183 8.807 1.00 0.00 C ATOM 333 C ASN A 23 -3.713 7.155 9.998 1.00 0.00 C ATOM 334 O ASN A 23 -2.551 7.532 9.833 1.00 0.00 O ATOM 335 CB ASN A 23 -5.647 5.901 8.646 1.00 0.00 C ATOM 336 CG ASN A 23 -6.896 6.043 7.773 1.00 0.00 C ATOM 337 OD1 ASN A 23 -7.999 6.250 8.262 1.00 0.00 O ATOM 338 ND2 ASN A 23 -6.791 5.890 6.481 1.00 0.00 N ATOM 0 H ASN A 23 -4.491 8.489 7.152 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.447 7.967 9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.029 5.106 8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.959 5.576 9.638 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.622 5.943 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.878 5.717 6.060 1.00 0.00 H new ATOM 345 N LYS A 24 -4.086 6.702 11.212 1.00 0.00 N ATOM 346 CA LYS A 24 -3.077 6.284 12.251 1.00 0.00 C ATOM 347 C LYS A 24 -2.594 4.773 12.160 1.00 0.00 C ATOM 348 O LYS A 24 -2.025 4.247 13.118 1.00 0.00 O ATOM 349 CB LYS A 24 -3.670 6.720 13.629 1.00 0.00 C ATOM 350 CG LYS A 24 -2.657 6.823 14.802 1.00 0.00 C ATOM 351 CD LYS A 24 -3.318 7.297 16.117 1.00 0.00 C ATOM 352 CE LYS A 24 -2.316 7.384 17.287 1.00 0.00 C ATOM 353 NZ LYS A 24 -3.008 7.866 18.521 1.00 0.00 N ATOM 0 H LYS A 24 -5.057 6.611 11.510 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.126 6.788 12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.152 7.690 13.505 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.449 6.010 13.908 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.193 5.850 14.963 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.860 7.515 14.530 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.772 8.275 15.959 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.122 6.611 16.383 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.871 6.406 17.469 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.502 8.061 17.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.325 7.921 19.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.412 8.808 18.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.770 7.204 18.773 1.00 0.00 H new ATOM 367 N CYS A 25 -2.789 4.074 11.020 1.00 0.00 N ATOM 368 CA CYS A 25 -2.338 2.671 10.796 1.00 0.00 C ATOM 369 C CYS A 25 -2.294 2.325 9.264 1.00 0.00 C ATOM 370 O CYS A 25 -3.124 2.793 8.476 1.00 0.00 O ATOM 371 CB CYS A 25 -3.280 1.706 11.560 1.00 0.00 C ATOM 372 SG CYS A 25 -2.657 -0.008 11.456 1.00 0.00 S ATOM 0 H CYS A 25 -3.271 4.470 10.213 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.323 2.558 11.178 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.353 2.010 12.604 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.285 1.761 11.141 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.458 -0.801 12.104 1.00 0.00 H new ATOM 378 N TYR A 26 -1.358 1.448 8.853 1.00 0.00 N ATOM 379 CA TYR A 26 -1.298 0.898 7.462 1.00 0.00 C ATOM 380 C TYR A 26 -2.587 0.106 7.013 1.00 0.00 C ATOM 381 O TYR A 26 -3.209 -0.619 7.796 1.00 0.00 O ATOM 382 CB TYR A 26 -0.078 -0.060 7.337 1.00 0.00 C ATOM 383 CG TYR A 26 1.308 0.594 7.277 1.00 0.00 C ATOM 384 CD1 TYR A 26 1.827 1.054 6.063 1.00 0.00 C ATOM 385 CD2 TYR A 26 2.108 0.618 8.423 1.00 0.00 C ATOM 386 CE1 TYR A 26 3.132 1.538 6.001 1.00 0.00 C ATOM 387 CE2 TYR A 26 3.412 1.101 8.358 1.00 0.00 C ATOM 388 CZ TYR A 26 3.922 1.561 7.146 1.00 0.00 C ATOM 389 OH TYR A 26 5.200 2.039 7.081 1.00 0.00 O ATOM 0 H TYR A 26 -0.621 1.095 9.463 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.214 1.766 6.809 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.095 -0.745 8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.209 -0.663 6.438 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.216 1.034 5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.713 0.260 9.362 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.531 1.896 5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.027 1.119 9.246 1.00 0.00 H new ATOM 0 HH TYR A 26 5.295 2.612 6.292 1.00 0.00 H new ATOM 399 N CYS A 27 -2.971 0.249 5.731 1.00 0.00 N ATOM 400 CA CYS A 27 -4.194 -0.363 5.129 1.00 0.00 C ATOM 401 C CYS A 27 -5.545 0.212 5.691 1.00 0.00 C ATOM 402 O CYS A 27 -6.033 1.218 5.177 1.00 0.00 O ATOM 403 CB CYS A 27 -4.041 -1.902 5.012 1.00 0.00 C ATOM 404 SG CYS A 27 -5.249 -2.572 3.821 1.00 0.00 S ATOM 0 H CYS A 27 -2.436 0.803 5.062 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.281 -0.035 4.093 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.029 -2.150 4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.189 -2.364 5.988 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.619 -3.178 2.858 1.00 0.00 H new ATOM 410 N LYS A 28 -6.127 -0.367 6.761 1.00 0.00 N ATOM 411 CA LYS A 28 -7.220 0.268 7.569 1.00 0.00 C ATOM 412 C LYS A 28 -8.567 0.565 6.799 1.00 0.00 C ATOM 413 O LYS A 28 -8.730 1.642 6.221 1.00 0.00 O ATOM 414 CB LYS A 28 -6.648 1.503 8.350 1.00 0.00 C ATOM 415 CG LYS A 28 -7.178 1.758 9.785 1.00 0.00 C ATOM 416 CD LYS A 28 -8.676 2.101 9.983 1.00 0.00 C ATOM 417 CE LYS A 28 -9.121 3.518 9.561 1.00 0.00 C ATOM 418 NZ LYS A 28 -9.550 3.537 8.138 1.00 0.00 N ATOM 0 H LYS A 28 -5.860 -1.291 7.100 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.547 -0.483 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.565 1.391 8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.845 2.396 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.963 0.869 10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.595 2.574 10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.268 1.377 9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.920 1.967 11.037 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.942 3.850 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.300 4.220 9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.633 4.522 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.846 3.039 7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.472 3.064 8.047 1.00 0.00 H new ATOM 432 N LYS A 29 -9.568 -0.335 6.849 1.00 0.00 N ATOM 433 CA LYS A 29 -10.891 -0.148 6.158 1.00 0.00 C ATOM 434 C LYS A 29 -11.771 1.048 6.699 1.00 0.00 C ATOM 435 O LYS A 29 -11.619 1.478 7.848 1.00 0.00 O ATOM 436 CB LYS A 29 -11.588 -1.546 6.269 1.00 0.00 C ATOM 437 CG LYS A 29 -12.865 -1.805 5.420 1.00 0.00 C ATOM 438 CD LYS A 29 -14.192 -1.591 6.189 1.00 0.00 C ATOM 439 CE LYS A 29 -15.439 -1.734 5.292 1.00 0.00 C ATOM 440 NZ LYS A 29 -16.658 -1.375 6.077 1.00 0.00 N ATOM 0 H LYS A 29 -9.499 -1.213 7.363 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.746 0.161 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.853 -2.306 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.847 -1.706 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.851 -1.146 4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.837 -2.828 5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.253 -2.312 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.188 -0.599 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.350 -1.085 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.519 -2.756 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.507 -1.568 5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.689 -1.942 6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.628 -0.365 6.323 1.00 0.00 H new ATOM 454 N CYS A 30 -12.698 1.595 5.887 1.00 0.00 N ATOM 455 CA CYS A 30 -13.816 2.446 6.402 1.00 0.00 C ATOM 456 C CYS A 30 -15.217 2.055 5.792 1.00 0.00 C ATOM 457 O CYS A 30 -16.015 1.431 6.493 1.00 0.00 O ATOM 458 CB CYS A 30 -13.433 3.944 6.389 1.00 0.00 C ATOM 459 SG CYS A 30 -14.860 4.941 6.948 1.00 0.00 S ATOM 0 H CYS A 30 -12.704 1.470 4.875 1.00 0.00 H new ATOM 0 HA CYS A 30 -13.968 2.228 7.459 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.577 4.117 7.041 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.136 4.246 5.385 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.539 6.201 6.940 1.00 0.00 H new ATOM 465 N CYS A 31 -15.677 2.283 4.553 1.00 0.00 N ATOM 466 CA CYS A 31 -14.884 2.821 3.416 1.00 0.00 C ATOM 467 C CYS A 31 -14.110 1.714 2.606 1.00 0.00 C ATOM 468 O CYS A 31 -13.831 0.627 3.126 1.00 0.00 O ATOM 469 CB CYS A 31 -15.898 3.689 2.629 1.00 0.00 C ATOM 470 SG CYS A 31 -17.129 2.655 1.758 1.00 0.00 S ATOM 0 H CYS A 31 -16.646 2.094 4.296 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.038 3.434 3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.409 4.365 3.314 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.366 4.309 1.907 1.00 0.00 H new ATOM 0 HG CYS A 31 -17.960 3.420 1.114 1.00 0.00 H new ATOM 476 N TYR A 32 -13.691 1.995 1.361 1.00 0.00 N ATOM 477 CA TYR A 32 -13.026 0.990 0.487 1.00 0.00 C ATOM 478 C TYR A 32 -11.575 0.562 0.928 1.00 0.00 C ATOM 479 O TYR A 32 -10.609 1.321 0.833 1.00 0.00 O ATOM 480 CB TYR A 32 -12.947 1.520 -0.975 1.00 0.00 C ATOM 481 CG TYR A 32 -12.427 0.542 -2.034 1.00 0.00 C ATOM 482 CD1 TYR A 32 -13.290 -0.413 -2.581 1.00 0.00 C ATOM 483 CD2 TYR A 32 -11.094 0.587 -2.454 1.00 0.00 C ATOM 484 CE1 TYR A 32 -12.824 -1.317 -3.531 1.00 0.00 C ATOM 485 CE2 TYR A 32 -10.630 -0.319 -3.405 1.00 0.00 C ATOM 486 CZ TYR A 32 -11.494 -1.268 -3.942 1.00 0.00 C ATOM 487 OH TYR A 32 -11.034 -2.157 -4.873 1.00 0.00 O ATOM 0 H TYR A 32 -13.798 2.912 0.927 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.652 0.102 0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -13.943 1.846 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -12.307 2.402 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -14.322 -0.449 -2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.423 1.325 -2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.492 -2.055 -3.949 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.599 -0.285 -3.726 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.288 -1.853 -5.769 1.00 0.00 H new ATOM 497 N HIS A 33 -11.398 -0.730 1.237 1.00 0.00 N ATOM 498 CA HIS A 33 -10.406 -1.555 0.492 1.00 0.00 C ATOM 499 C HIS A 33 -10.915 -3.037 0.408 1.00 0.00 C ATOM 500 O HIS A 33 -11.026 -3.716 1.433 1.00 0.00 O ATOM 501 CB HIS A 33 -8.980 -1.510 1.066 1.00 0.00 C ATOM 502 CG HIS A 33 -7.993 -2.234 0.199 1.00 0.00 C ATOM 503 ND1 HIS A 33 -7.775 -3.610 0.185 1.00 0.00 N ATOM 504 CD2 HIS A 33 -7.568 -1.640 -0.982 1.00 0.00 C ATOM 505 CE1 HIS A 33 -7.226 -3.743 -1.037 1.00 0.00 C ATOM 506 NE2 HIS A 33 -7.064 -2.624 -1.793 1.00 0.00 N ATOM 0 H HIS A 33 -11.905 -1.224 1.971 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.330 -1.116 -0.503 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.669 -0.471 1.178 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.978 -1.952 2.062 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.974 -4.314 0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.624 -0.588 -1.220 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.923 -4.711 -1.407 1.00 0.00 H new ATOM 515 N CYS A 34 -11.146 -3.549 -0.812 1.00 0.00 N ATOM 516 CA CYS A 34 -11.526 -4.969 -1.045 1.00 0.00 C ATOM 517 C CYS A 34 -10.328 -5.982 -0.934 1.00 0.00 C ATOM 518 O CYS A 34 -9.302 -5.830 -1.603 1.00 0.00 O ATOM 519 CB CYS A 34 -12.187 -4.965 -2.439 1.00 0.00 C ATOM 520 SG CYS A 34 -12.779 -6.629 -2.895 1.00 0.00 S ATOM 0 H CYS A 34 -11.077 -2.999 -1.668 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.202 -5.328 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -13.022 -4.265 -2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.471 -4.615 -3.183 1.00 0.00 H new ATOM 0 HG CYS A 34 -13.331 -6.586 -4.071 1.00 0.00 H new ATOM 526 N GLN A 35 -10.470 -6.994 -0.057 1.00 0.00 N ATOM 527 CA GLN A 35 -9.526 -8.145 0.100 1.00 0.00 C ATOM 528 C GLN A 35 -8.012 -7.837 0.400 1.00 0.00 C ATOM 529 O GLN A 35 -7.624 -7.736 1.566 1.00 0.00 O ATOM 530 CB GLN A 35 -9.829 -9.230 -0.987 1.00 0.00 C ATOM 531 CG GLN A 35 -9.273 -10.659 -0.712 1.00 0.00 C ATOM 532 CD GLN A 35 -9.935 -11.421 0.445 1.00 0.00 C ATOM 533 OE1 GLN A 35 -9.862 -11.032 1.604 1.00 0.00 O ATOM 534 NE2 GLN A 35 -10.584 -12.528 0.193 1.00 0.00 N ATOM 0 H GLN A 35 -11.261 -7.046 0.584 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.747 -8.580 1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.910 -9.301 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.425 -8.883 -1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.380 -11.251 -1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.205 -10.580 -0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.657 -12.870 -0.765 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.017 -13.050 0.955 1.00 0.00 H new ATOM 543 N MET A 36 -7.159 -7.718 -0.636 1.00 0.00 N ATOM 544 CA MET A 36 -5.668 -7.778 -0.528 1.00 0.00 C ATOM 545 C MET A 36 -5.014 -6.754 0.466 1.00 0.00 C ATOM 546 O MET A 36 -4.921 -5.575 0.117 1.00 0.00 O ATOM 547 CB MET A 36 -5.171 -9.257 -0.501 1.00 0.00 C ATOM 548 CG MET A 36 -5.376 -10.029 -1.825 1.00 0.00 C ATOM 549 SD MET A 36 -4.794 -11.725 -1.653 1.00 0.00 S ATOM 550 CE MET A 36 -5.188 -12.321 -3.305 1.00 0.00 C ATOM 0 H MET A 36 -7.481 -7.575 -1.593 1.00 0.00 H new ATOM 0 HA MET A 36 -5.251 -7.371 -1.449 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.110 -9.265 -0.251 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.691 -9.787 0.297 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.431 -10.025 -2.097 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.837 -9.532 -2.631 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.897 -13.368 -3.393 1.00 0.00 H new ATOM 0 HE2 MET A 36 -6.260 -12.227 -3.480 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.646 -11.730 -4.044 1.00 0.00 H new ATOM 560 N CYS A 37 -4.582 -7.152 1.676 1.00 0.00 N ATOM 561 CA CYS A 37 -4.178 -6.189 2.740 1.00 0.00 C ATOM 562 C CYS A 37 -2.811 -5.457 2.486 1.00 0.00 C ATOM 563 O CYS A 37 -2.833 -4.305 2.050 1.00 0.00 O ATOM 564 CB CYS A 37 -4.335 -6.941 4.081 1.00 0.00 C ATOM 565 SG CYS A 37 -4.159 -5.784 5.484 1.00 0.00 S ATOM 0 H CYS A 37 -4.500 -8.131 1.950 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.830 -5.315 2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.310 -7.426 4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.584 -7.728 4.154 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.495 -4.587 5.104 1.00 0.00 H new ATOM 571 N PHE A 38 -1.650 -6.101 2.710 1.00 0.00 N ATOM 572 CA PHE A 38 -0.332 -5.630 2.182 1.00 0.00 C ATOM 573 C PHE A 38 0.655 -6.839 2.052 1.00 0.00 C ATOM 574 O PHE A 38 1.433 -7.142 2.962 1.00 0.00 O ATOM 575 CB PHE A 38 0.296 -4.464 3.018 1.00 0.00 C ATOM 576 CG PHE A 38 -0.091 -3.009 2.674 1.00 0.00 C ATOM 577 CD1 PHE A 38 -0.181 -2.558 1.349 1.00 0.00 C ATOM 578 CD2 PHE A 38 -0.268 -2.091 3.715 1.00 0.00 C ATOM 579 CE1 PHE A 38 -0.500 -1.232 1.077 1.00 0.00 C ATOM 580 CE2 PHE A 38 -0.558 -0.756 3.435 1.00 0.00 C ATOM 581 CZ PHE A 38 -0.691 -0.333 2.119 1.00 0.00 C ATOM 0 H PHE A 38 -1.587 -6.959 3.258 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.517 -5.209 1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.042 -4.634 4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.380 -4.545 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.001 -3.245 0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.180 -2.418 4.741 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.599 -0.900 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.679 -0.050 4.243 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.943 0.695 1.905 1.00 0.00 H new ATOM 591 N ILE A 39 0.641 -7.515 0.894 1.00 0.00 N ATOM 592 CA ILE A 39 1.626 -8.586 0.547 1.00 0.00 C ATOM 593 C ILE A 39 2.918 -7.953 -0.085 1.00 0.00 C ATOM 594 O ILE A 39 2.868 -7.331 -1.150 1.00 0.00 O ATOM 595 CB ILE A 39 0.973 -9.744 -0.311 1.00 0.00 C ATOM 596 CG1 ILE A 39 -0.184 -9.413 -1.308 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.453 -10.877 0.610 1.00 0.00 C ATOM 598 CD1 ILE A 39 0.155 -8.416 -2.425 1.00 0.00 C ATOM 0 H ILE A 39 -0.048 -7.345 0.162 1.00 0.00 H new ATOM 0 HA ILE A 39 1.946 -9.083 1.463 1.00 0.00 H new ATOM 0 HB ILE A 39 1.817 -10.015 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.518 -10.343 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.026 -9.018 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.007 -11.664 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.283 -11.288 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.297 -10.476 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.722 -8.263 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.456 -7.465 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.971 -8.811 -3.030 1.00 0.00 H new ATOM 610 N THR A 40 4.077 -8.065 0.597 1.00 0.00 N ATOM 611 CA THR A 40 5.275 -7.208 0.311 1.00 0.00 C ATOM 612 C THR A 40 6.136 -7.652 -0.927 1.00 0.00 C ATOM 613 O THR A 40 7.217 -8.234 -0.791 1.00 0.00 O ATOM 614 CB THR A 40 6.158 -7.021 1.591 1.00 0.00 C ATOM 615 OG1 THR A 40 6.750 -8.255 1.988 1.00 0.00 O ATOM 616 CG2 THR A 40 5.463 -6.429 2.828 1.00 0.00 C ATOM 0 H THR A 40 4.221 -8.736 1.351 1.00 0.00 H new ATOM 0 HA THR A 40 4.863 -6.241 0.021 1.00 0.00 H new ATOM 0 HB THR A 40 6.894 -6.286 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.110 -8.713 1.200 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.180 -6.350 3.645 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.075 -5.439 2.589 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.640 -7.078 3.128 1.00 0.00 H new ATOM 624 N LYS A 41 5.661 -7.317 -2.133 1.00 0.00 N ATOM 625 CA LYS A 41 6.338 -7.632 -3.426 1.00 0.00 C ATOM 626 C LYS A 41 7.050 -6.370 -4.035 1.00 0.00 C ATOM 627 O LYS A 41 6.560 -5.732 -4.970 1.00 0.00 O ATOM 628 CB LYS A 41 5.352 -8.395 -4.378 1.00 0.00 C ATOM 629 CG LYS A 41 3.833 -8.059 -4.420 1.00 0.00 C ATOM 630 CD LYS A 41 3.477 -6.671 -4.987 1.00 0.00 C ATOM 631 CE LYS A 41 2.033 -6.267 -4.656 1.00 0.00 C ATOM 632 NZ LYS A 41 1.738 -4.973 -5.315 1.00 0.00 N ATOM 0 H LYS A 41 4.783 -6.812 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 41 7.163 -8.324 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.731 -8.270 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.435 -9.454 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.327 -8.817 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.434 -8.132 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.163 -5.927 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.613 -6.675 -6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.338 -7.033 -5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.903 -6.180 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.004 -4.469 -4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.602 -4.395 -5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.401 -5.146 -6.284 1.00 0.00 H new ATOM 646 N GLY A 42 8.229 -6.016 -3.491 1.00 0.00 N ATOM 647 CA GLY A 42 9.010 -4.824 -3.940 1.00 0.00 C ATOM 648 C GLY A 42 9.663 -4.065 -2.770 1.00 0.00 C ATOM 649 O GLY A 42 9.063 -3.145 -2.219 1.00 0.00 O ATOM 0 H GLY A 42 8.673 -6.536 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.784 -5.144 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.351 -4.147 -4.484 1.00 0.00 H new ATOM 653 N LEU A 43 10.880 -4.452 -2.362 1.00 0.00 N ATOM 654 CA LEU A 43 11.443 -4.046 -1.033 1.00 0.00 C ATOM 655 C LEU A 43 12.284 -2.713 -1.033 1.00 0.00 C ATOM 656 O LEU A 43 13.457 -2.673 -0.630 1.00 0.00 O ATOM 657 CB LEU A 43 12.221 -5.266 -0.455 1.00 0.00 C ATOM 658 CG LEU A 43 11.428 -6.572 -0.170 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.405 -7.716 0.139 1.00 0.00 C ATOM 660 CD2 LEU A 43 10.418 -6.421 0.980 1.00 0.00 C ATOM 0 H LEU A 43 11.502 -5.041 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 43 10.611 -3.783 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.024 -5.509 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.690 -4.951 0.477 1.00 0.00 H new ATOM 0 HG LEU A 43 10.854 -6.799 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.844 -8.629 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.063 -7.873 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.002 -7.458 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.895 -7.365 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.945 -6.147 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.696 -5.643 0.731 1.00 0.00 H new ATOM 672 N GLY A 44 11.650 -1.594 -1.428 1.00 0.00 N ATOM 673 CA GLY A 44 12.310 -0.258 -1.488 1.00 0.00 C ATOM 674 C GLY A 44 12.510 0.428 -0.124 1.00 0.00 C ATOM 675 O GLY A 44 13.615 0.380 0.409 1.00 0.00 O ATOM 0 H GLY A 44 10.671 -1.580 -1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.282 -0.370 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.715 0.397 -2.124 1.00 0.00 H new ATOM 679 N ILE A 45 11.466 1.039 0.443 1.00 0.00 N ATOM 680 CA ILE A 45 11.456 1.493 1.873 1.00 0.00 C ATOM 681 C ILE A 45 10.108 1.034 2.533 1.00 0.00 C ATOM 682 O ILE A 45 10.151 0.161 3.401 1.00 0.00 O ATOM 683 CB ILE A 45 11.875 3.005 2.079 1.00 0.00 C ATOM 684 CG1 ILE A 45 13.398 3.247 1.832 1.00 0.00 C ATOM 685 CG2 ILE A 45 11.505 3.554 3.486 1.00 0.00 C ATOM 686 CD1 ILE A 45 13.853 4.713 1.736 1.00 0.00 C ATOM 0 H ILE A 45 10.600 1.241 -0.056 1.00 0.00 H new ATOM 0 HA ILE A 45 12.258 1.001 2.423 1.00 0.00 H new ATOM 0 HB ILE A 45 11.301 3.549 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.955 2.769 2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.678 2.742 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.818 4.595 3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.427 3.488 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.010 2.964 4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.929 4.750 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.336 5.201 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.617 5.229 2.667 1.00 0.00 H new ATOM 698 N SER A 46 8.946 1.615 2.168 1.00 0.00 N ATOM 699 CA SER A 46 7.616 1.301 2.785 1.00 0.00 C ATOM 700 C SER A 46 7.160 -0.202 2.807 1.00 0.00 C ATOM 701 O SER A 46 6.918 -0.747 3.890 1.00 0.00 O ATOM 702 CB SER A 46 6.582 2.296 2.201 1.00 0.00 C ATOM 703 OG SER A 46 6.500 2.245 0.773 1.00 0.00 O ATOM 0 H SER A 46 8.891 2.321 1.434 1.00 0.00 H new ATOM 0 HA SER A 46 7.714 1.447 3.861 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.601 2.081 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.846 3.308 2.508 1.00 0.00 H new ATOM 0 HG SER A 46 6.201 3.114 0.431 1.00 0.00 H new ATOM 709 N TYR A 47 7.179 -0.923 1.672 1.00 0.00 N ATOM 710 CA TYR A 47 7.423 -2.398 1.678 1.00 0.00 C ATOM 711 C TYR A 47 8.905 -2.720 2.110 1.00 0.00 C ATOM 712 O TYR A 47 9.862 -2.372 1.412 1.00 0.00 O ATOM 713 CB TYR A 47 7.187 -3.020 0.271 1.00 0.00 C ATOM 714 CG TYR A 47 5.741 -3.383 -0.087 1.00 0.00 C ATOM 715 CD1 TYR A 47 4.738 -3.364 0.887 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.432 -3.796 -1.387 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.440 -3.747 0.560 1.00 0.00 C ATOM 718 CE2 TYR A 47 4.134 -4.179 -1.711 1.00 0.00 C ATOM 719 CZ TYR A 47 3.139 -4.154 -0.737 1.00 0.00 C ATOM 720 OH TYR A 47 1.863 -4.526 -1.054 1.00 0.00 O ATOM 0 H TYR A 47 7.032 -0.526 0.744 1.00 0.00 H new ATOM 0 HA TYR A 47 6.720 -2.828 2.391 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.557 -2.319 -0.477 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.794 -3.922 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.970 -3.052 1.894 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.204 -3.818 -2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.666 -3.728 1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.899 -4.495 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 47 1.822 -5.500 -1.156 1.00 0.00 H new ATOM 730 N GLY A 48 9.102 -3.352 3.283 1.00 0.00 N ATOM 731 CA GLY A 48 10.467 -3.533 3.850 1.00 0.00 C ATOM 732 C GLY A 48 10.552 -4.357 5.156 1.00 0.00 C ATOM 733 O GLY A 48 9.832 -4.092 6.123 1.00 0.00 O ATOM 0 H GLY A 48 8.352 -3.742 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.091 -4.015 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.896 -2.548 4.036 1.00 0.00 H new ATOM 737 N ARG A 49 11.492 -5.319 5.209 1.00 0.00 N ATOM 738 CA ARG A 49 11.731 -6.169 6.420 1.00 0.00 C ATOM 739 C ARG A 49 12.479 -5.381 7.563 1.00 0.00 C ATOM 740 O ARG A 49 11.831 -4.975 8.533 1.00 0.00 O ATOM 741 CB ARG A 49 12.383 -7.504 5.927 1.00 0.00 C ATOM 742 CG ARG A 49 12.435 -8.662 6.962 1.00 0.00 C ATOM 743 CD ARG A 49 13.087 -9.949 6.402 1.00 0.00 C ATOM 744 NE ARG A 49 13.046 -11.036 7.427 1.00 0.00 N ATOM 745 CZ ARG A 49 13.473 -12.289 7.255 1.00 0.00 C ATOM 746 NH1 ARG A 49 14.017 -12.729 6.153 1.00 0.00 N ATOM 747 NH2 ARG A 49 13.343 -13.124 8.238 1.00 0.00 N ATOM 0 H ARG A 49 12.110 -5.538 4.427 1.00 0.00 H new ATOM 0 HA ARG A 49 10.804 -6.440 6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.834 -7.851 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.401 -7.289 5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.992 -8.332 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.422 -8.890 7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.563 -10.269 5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.119 -9.748 6.116 1.00 0.00 H new ATOM 0 HE ARG A 49 12.657 -10.799 8.340 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.137 -12.102 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.322 -13.700 6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.923 -12.817 9.115 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.661 -14.088 8.134 1.00 0.00 H new ATOM 761 N LYS A 50 13.792 -5.087 7.424 1.00 0.00 N ATOM 762 CA LYS A 50 14.484 -4.030 8.238 1.00 0.00 C ATOM 763 C LYS A 50 14.581 -2.658 7.456 1.00 0.00 C ATOM 764 O LYS A 50 15.673 -2.131 7.234 1.00 0.00 O ATOM 765 CB LYS A 50 15.850 -4.635 8.717 1.00 0.00 C ATOM 766 CG LYS A 50 16.593 -3.869 9.852 1.00 0.00 C ATOM 767 CD LYS A 50 17.955 -4.505 10.247 1.00 0.00 C ATOM 768 CE LYS A 50 18.703 -3.714 11.349 1.00 0.00 C ATOM 769 NZ LYS A 50 20.035 -4.324 11.668 1.00 0.00 N ATOM 0 H LYS A 50 14.404 -5.560 6.759 1.00 0.00 H new ATOM 0 HA LYS A 50 13.911 -3.761 9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.670 -5.655 9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.515 -4.697 7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.761 -2.840 9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.951 -3.830 10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.785 -5.525 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.588 -4.570 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.844 -2.683 11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.092 -3.683 12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.504 -3.766 12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.899 -5.299 12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.627 -4.331 10.813 1.00 0.00 H new ATOM 783 N LYS A 51 13.435 -2.078 7.038 1.00 0.00 N ATOM 784 CA LYS A 51 13.351 -0.671 6.528 1.00 0.00 C ATOM 785 C LYS A 51 12.004 -0.040 7.060 1.00 0.00 C ATOM 786 O LYS A 51 11.856 0.133 8.271 1.00 0.00 O ATOM 787 CB LYS A 51 13.544 -0.603 4.975 1.00 0.00 C ATOM 788 CG LYS A 51 14.899 -1.026 4.363 1.00 0.00 C ATOM 789 CD LYS A 51 14.880 -0.810 2.836 1.00 0.00 C ATOM 790 CE LYS A 51 16.158 -1.266 2.108 1.00 0.00 C ATOM 791 NZ LYS A 51 15.945 -1.101 0.639 1.00 0.00 N ATOM 0 H LYS A 51 12.537 -2.562 7.040 1.00 0.00 H new ATOM 0 HA LYS A 51 14.173 -0.066 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.771 -1.224 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.351 0.424 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.706 -0.446 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.097 -2.074 4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.028 -1.346 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.721 0.249 2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 51 17.013 -0.675 2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.379 -2.307 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.956 -2.034 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.027 -0.643 0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.704 -0.511 0.242 1.00 0.00 H new ATOM 805 N ARG A 52 11.005 0.237 6.191 1.00 0.00 N ATOM 806 CA ARG A 52 9.594 0.556 6.561 1.00 0.00 C ATOM 807 C ARG A 52 9.341 1.964 7.198 1.00 0.00 C ATOM 808 O ARG A 52 9.270 2.104 8.421 1.00 0.00 O ATOM 809 CB ARG A 52 8.944 -0.655 7.286 1.00 0.00 C ATOM 810 CG ARG A 52 7.397 -0.632 7.379 1.00 0.00 C ATOM 811 CD ARG A 52 6.769 -1.956 7.860 1.00 0.00 C ATOM 812 NE ARG A 52 7.064 -2.222 9.301 1.00 0.00 N ATOM 813 CZ ARG A 52 8.057 -2.971 9.772 1.00 0.00 C ATOM 814 NH1 ARG A 52 8.883 -3.647 9.021 1.00 0.00 N ATOM 815 NH2 ARG A 52 8.218 -3.026 11.055 1.00 0.00 N ATOM 0 H ARG A 52 11.156 0.247 5.182 1.00 0.00 H new ATOM 0 HA ARG A 52 9.049 0.696 5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.245 -1.567 6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.349 -0.710 8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.098 0.166 8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.990 -0.386 6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.690 -1.921 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.148 -2.779 7.254 1.00 0.00 H new ATOM 0 HE ARG A 52 6.446 -1.789 9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.788 -3.620 8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.624 -4.202 9.449 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.593 -2.505 11.670 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.969 -3.591 11.451 1.00 0.00 H new ATOM 829 N ARG A 53 9.124 2.991 6.353 1.00 0.00 N ATOM 830 CA ARG A 53 8.480 4.271 6.782 1.00 0.00 C ATOM 831 C ARG A 53 7.197 4.580 5.908 1.00 0.00 C ATOM 832 O ARG A 53 6.549 3.655 5.396 1.00 0.00 O ATOM 833 CB ARG A 53 9.612 5.340 6.924 1.00 0.00 C ATOM 834 CG ARG A 53 9.294 6.506 7.903 1.00 0.00 C ATOM 835 CD ARG A 53 10.442 7.513 8.126 1.00 0.00 C ATOM 836 NE ARG A 53 10.511 8.494 7.005 1.00 0.00 N ATOM 837 CZ ARG A 53 11.157 9.655 7.025 1.00 0.00 C ATOM 838 NH1 ARG A 53 11.849 10.083 8.042 1.00 0.00 N ATOM 839 NH2 ARG A 53 11.101 10.407 5.979 1.00 0.00 N ATOM 0 H ARG A 53 9.382 2.969 5.366 1.00 0.00 H new ATOM 0 HA ARG A 53 8.025 4.240 7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.522 4.842 7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.822 5.759 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.426 7.048 7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.012 6.082 8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.291 8.040 9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.389 6.980 8.207 1.00 0.00 H new ATOM 0 HE ARG A 53 10.018 8.252 6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.918 9.516 8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.322 10.985 7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.570 10.106 5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.588 11.303 5.969 1.00 0.00 H new ATOM 853 N GLN A 54 6.712 5.834 5.861 1.00 0.00 N ATOM 854 CA GLN A 54 5.303 6.162 5.471 1.00 0.00 C ATOM 855 C GLN A 54 5.154 7.705 5.218 1.00 0.00 C ATOM 856 O GLN A 54 5.283 8.501 6.153 1.00 0.00 O ATOM 857 CB GLN A 54 4.331 5.662 6.594 1.00 0.00 C ATOM 858 CG GLN A 54 2.836 5.523 6.202 1.00 0.00 C ATOM 859 CD GLN A 54 1.925 4.995 7.324 1.00 0.00 C ATOM 860 OE1 GLN A 54 2.178 5.122 8.516 1.00 0.00 O ATOM 861 NE2 GLN A 54 0.799 4.415 7.001 1.00 0.00 N ATOM 0 H GLN A 54 7.273 6.655 6.089 1.00 0.00 H new ATOM 0 HA GLN A 54 5.046 5.655 4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.684 4.692 6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.401 6.350 7.437 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.467 6.497 5.880 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.760 4.854 5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.553 4.291 6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.167 4.087 7.731 1.00 0.00 H new ATOM 870 N ARG A 55 4.872 8.140 3.973 1.00 0.00 N ATOM 871 CA ARG A 55 4.817 9.594 3.609 1.00 0.00 C ATOM 872 C ARG A 55 3.532 9.941 2.770 1.00 0.00 C ATOM 873 O ARG A 55 3.147 9.209 1.855 1.00 0.00 O ATOM 874 CB ARG A 55 6.156 9.937 2.897 1.00 0.00 C ATOM 875 CG ARG A 55 6.435 11.446 2.666 1.00 0.00 C ATOM 876 CD ARG A 55 7.793 11.638 1.974 1.00 0.00 C ATOM 877 NE ARG A 55 8.059 13.074 1.678 1.00 0.00 N ATOM 878 CZ ARG A 55 9.099 13.517 0.977 1.00 0.00 C ATOM 879 NH1 ARG A 55 10.101 12.773 0.627 1.00 0.00 N ATOM 880 NH2 ARG A 55 9.117 14.753 0.599 1.00 0.00 N ATOM 0 H ARG A 55 4.677 7.513 3.192 1.00 0.00 H new ATOM 0 HA ARG A 55 4.721 10.220 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.974 9.522 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.171 9.433 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.643 11.880 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.427 11.974 3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.585 11.244 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.814 11.065 1.047 1.00 0.00 H new ATOM 0 HE ARG A 55 7.399 13.764 2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.121 11.788 0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.870 13.173 0.089 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.342 15.371 0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.906 15.110 0.061 1.00 0.00 H new ATOM 894 N ARG A 56 2.852 11.058 3.097 1.00 0.00 N ATOM 895 CA ARG A 56 1.483 11.374 2.582 1.00 0.00 C ATOM 896 C ARG A 56 1.384 12.804 1.938 1.00 0.00 C ATOM 897 O ARG A 56 1.509 13.812 2.640 1.00 0.00 O ATOM 898 CB ARG A 56 0.535 11.166 3.803 1.00 0.00 C ATOM 899 CG ARG A 56 -0.959 11.525 3.580 1.00 0.00 C ATOM 900 CD ARG A 56 -1.405 12.802 4.327 1.00 0.00 C ATOM 901 NE ARG A 56 -2.706 13.290 3.781 1.00 0.00 N ATOM 902 CZ ARG A 56 -2.846 14.166 2.791 1.00 0.00 C ATOM 903 NH1 ARG A 56 -1.852 14.796 2.236 1.00 0.00 N ATOM 904 NH2 ARG A 56 -4.035 14.386 2.342 1.00 0.00 N ATOM 0 H ARG A 56 3.225 11.771 3.723 1.00 0.00 H new ATOM 0 HA ARG A 56 1.202 10.722 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.594 10.121 4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.911 11.763 4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.137 11.657 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.578 10.689 3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.505 12.593 5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.645 13.577 4.224 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.558 12.921 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.899 14.629 2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.026 15.457 1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.832 13.894 2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.178 15.052 1.583 1.00 0.00 H new ATOM 918 N ARG A 57 1.084 12.894 0.627 1.00 0.00 N ATOM 919 CA ARG A 57 1.159 14.180 -0.144 1.00 0.00 C ATOM 920 C ARG A 57 -0.199 14.608 -0.835 1.00 0.00 C ATOM 921 O ARG A 57 -0.743 15.622 -0.380 1.00 0.00 O ATOM 922 CB ARG A 57 2.429 14.077 -1.031 1.00 0.00 C ATOM 923 CG ARG A 57 2.984 15.345 -1.716 1.00 0.00 C ATOM 924 CD ARG A 57 2.199 15.858 -2.941 1.00 0.00 C ATOM 925 NE ARG A 57 3.154 16.643 -3.765 1.00 0.00 N ATOM 926 CZ ARG A 57 2.866 17.550 -4.676 1.00 0.00 C ATOM 927 NH1 ARG A 57 1.689 18.079 -4.832 1.00 0.00 N ATOM 928 NH2 ARG A 57 3.831 17.917 -5.453 1.00 0.00 N ATOM 0 H ARG A 57 0.785 12.096 0.066 1.00 0.00 H new ATOM 0 HA ARG A 57 1.278 15.044 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.226 13.664 -0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.222 13.347 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.024 16.144 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.010 15.146 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.788 15.026 -3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.358 16.477 -2.629 1.00 0.00 H new ATOM 0 HE ARG A 57 4.145 16.459 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.918 17.796 -4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.536 18.778 -5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.759 17.507 -5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.665 18.616 -6.177 1.00 0.00 H new ATOM 942 N PRO A 58 -0.817 13.947 -1.864 1.00 0.00 N ATOM 943 CA PRO A 58 -2.123 14.395 -2.452 1.00 0.00 C ATOM 944 C PRO A 58 -3.413 14.202 -1.551 1.00 0.00 C ATOM 945 O PRO A 58 -3.295 13.635 -0.458 1.00 0.00 O ATOM 946 CB PRO A 58 -2.137 13.560 -3.753 1.00 0.00 C ATOM 947 CG PRO A 58 -1.395 12.269 -3.407 1.00 0.00 C ATOM 948 CD PRO A 58 -0.248 12.762 -2.538 1.00 0.00 C ATOM 0 HA PRO A 58 -2.176 15.475 -2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.157 13.353 -4.078 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.645 14.091 -4.568 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.034 11.566 -2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.035 11.758 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.068 12.004 -1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.627 13.020 -3.135 1.00 0.00 H new ATOM 956 N PRO A 59 -4.658 14.624 -1.949 1.00 0.00 N ATOM 957 CA PRO A 59 -5.886 14.472 -1.112 1.00 0.00 C ATOM 958 C PRO A 59 -6.255 13.112 -0.408 1.00 0.00 C ATOM 959 O PRO A 59 -6.312 13.121 0.818 1.00 0.00 O ATOM 960 CB PRO A 59 -6.990 15.120 -1.967 1.00 0.00 C ATOM 961 CG PRO A 59 -6.248 16.142 -2.831 1.00 0.00 C ATOM 962 CD PRO A 59 -4.887 15.506 -3.115 1.00 0.00 C ATOM 0 HA PRO A 59 -5.701 14.960 -0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.505 14.380 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.746 15.599 -1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.789 16.345 -3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.138 17.093 -2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.896 14.942 -4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.105 16.260 -3.206 1.00 0.00 H new ATOM 970 N GLN A 60 -6.513 11.902 -0.931 1.00 0.00 N ATOM 971 CA GLN A 60 -6.506 11.514 -2.373 1.00 0.00 C ATOM 972 C GLN A 60 -7.494 10.318 -2.641 1.00 0.00 C ATOM 973 O GLN A 60 -7.757 9.488 -1.765 1.00 0.00 O ATOM 974 CB GLN A 60 -5.060 11.116 -2.802 1.00 0.00 C ATOM 975 CG GLN A 60 -4.810 10.766 -4.305 1.00 0.00 C ATOM 976 CD GLN A 60 -5.298 11.745 -5.384 1.00 0.00 C ATOM 977 OE1 GLN A 60 -5.675 12.881 -5.134 1.00 0.00 O ATOM 978 NE2 GLN A 60 -5.365 11.329 -6.620 1.00 0.00 N ATOM 0 H GLN A 60 -6.748 11.111 -0.331 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.839 12.368 -2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.395 11.937 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.759 10.255 -2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.736 10.635 -4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.276 9.800 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.058 10.386 -6.858 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.725 11.947 -7.347 1.00 0.00 H new ATOM 987 N GLY A 61 -8.009 10.196 -3.881 1.00 0.00 N ATOM 988 CA GLY A 61 -8.630 8.920 -4.366 1.00 0.00 C ATOM 989 C GLY A 61 -7.638 7.784 -4.653 1.00 0.00 C ATOM 990 O GLY A 61 -7.519 6.865 -3.844 1.00 0.00 O ATOM 0 H GLY A 61 -8.014 10.950 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.347 8.576 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.192 9.130 -5.276 1.00 0.00 H new ATOM 994 N ASN A 62 -6.904 7.896 -5.768 1.00 0.00 N ATOM 995 CA ASN A 62 -5.928 6.851 -6.204 1.00 0.00 C ATOM 996 C ASN A 62 -4.907 6.376 -5.110 1.00 0.00 C ATOM 997 O ASN A 62 -4.850 5.191 -4.807 1.00 0.00 O ATOM 998 CB ASN A 62 -5.196 7.272 -7.513 1.00 0.00 C ATOM 999 CG ASN A 62 -5.995 7.908 -8.653 1.00 0.00 C ATOM 1000 OD1 ASN A 62 -6.149 9.125 -8.700 1.00 0.00 O ATOM 1001 ND2 ASN A 62 -6.501 7.155 -9.588 1.00 0.00 N ATOM 0 H ASN A 62 -6.958 8.698 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.544 5.973 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.408 7.973 -7.236 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.706 6.384 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.023 7.577 -10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.375 6.143 -9.552 1.00 0.00 H new ATOM 1008 N GLN A 63 -4.192 7.283 -4.419 1.00 0.00 N ATOM 1009 CA GLN A 63 -3.386 6.921 -3.209 1.00 0.00 C ATOM 1010 C GLN A 63 -4.166 6.483 -1.899 1.00 0.00 C ATOM 1011 O GLN A 63 -3.526 6.086 -0.926 1.00 0.00 O ATOM 1012 CB GLN A 63 -2.380 8.091 -2.999 1.00 0.00 C ATOM 1013 CG GLN A 63 -1.176 7.768 -2.072 1.00 0.00 C ATOM 1014 CD GLN A 63 -0.139 8.880 -1.923 1.00 0.00 C ATOM 1015 OE1 GLN A 63 -0.076 9.589 -0.922 1.00 0.00 O ATOM 1016 NE2 GLN A 63 0.698 9.052 -2.909 1.00 0.00 N ATOM 0 H GLN A 63 -4.148 8.272 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.881 5.977 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.997 8.399 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.919 8.943 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.559 7.519 -1.083 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.675 6.878 -2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.639 8.459 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.411 9.779 -2.852 1.00 0.00 H new ATOM 1025 N ALA A 64 -5.510 6.500 -1.840 1.00 0.00 N ATOM 1026 CA ALA A 64 -6.304 5.651 -0.899 1.00 0.00 C ATOM 1027 C ALA A 64 -6.680 4.200 -1.411 1.00 0.00 C ATOM 1028 O ALA A 64 -6.703 3.243 -0.636 1.00 0.00 O ATOM 1029 CB ALA A 64 -7.550 6.484 -0.539 1.00 0.00 C ATOM 0 H ALA A 64 -6.085 7.096 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.684 5.420 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.178 5.920 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.240 7.416 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.114 6.706 -1.445 1.00 0.00 H new ATOM 1035 N HIS A 65 -6.985 4.048 -2.701 1.00 0.00 N ATOM 1036 CA HIS A 65 -7.392 2.756 -3.362 1.00 0.00 C ATOM 1037 C HIS A 65 -6.191 1.829 -3.792 1.00 0.00 C ATOM 1038 O HIS A 65 -6.156 0.642 -3.444 1.00 0.00 O ATOM 1039 CB HIS A 65 -8.369 3.076 -4.582 1.00 0.00 C ATOM 1040 CG HIS A 65 -9.765 3.445 -4.174 1.00 0.00 C ATOM 1041 ND1 HIS A 65 -10.937 2.954 -4.744 1.00 0.00 N ATOM 1042 CD2 HIS A 65 -10.006 4.581 -3.413 1.00 0.00 C ATOM 1043 CE1 HIS A 65 -11.819 3.853 -4.265 1.00 0.00 C ATOM 1044 NE2 HIS A 65 -11.348 4.853 -3.471 1.00 0.00 N ATOM 0 H HIS A 65 -6.962 4.830 -3.355 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.918 2.167 -2.611 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.946 3.893 -5.167 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.412 2.205 -5.236 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.266 5.150 -2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.870 3.782 -4.504 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.864 5.614 -3.030 1.00 0.00 H new ATOM 1053 N GLN A 66 -5.210 2.386 -4.510 1.00 0.00 N ATOM 1054 CA GLN A 66 -4.358 1.674 -5.504 1.00 0.00 C ATOM 1055 C GLN A 66 -3.113 0.924 -4.922 1.00 0.00 C ATOM 1056 O GLN A 66 -2.519 1.337 -3.924 1.00 0.00 O ATOM 1057 CB GLN A 66 -3.927 2.841 -6.450 1.00 0.00 C ATOM 1058 CG GLN A 66 -3.184 2.515 -7.770 1.00 0.00 C ATOM 1059 CD GLN A 66 -2.736 3.779 -8.514 1.00 0.00 C ATOM 1060 OE1 GLN A 66 -3.500 4.467 -9.177 1.00 0.00 O ATOM 1061 NE2 GLN A 66 -1.494 4.168 -8.421 1.00 0.00 N ATOM 0 H GLN A 66 -4.969 3.373 -4.423 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.904 0.859 -5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.826 3.400 -6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.290 3.512 -5.873 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.313 1.897 -7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.837 1.928 -8.416 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.827 3.620 -7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.190 5.020 -8.892 1.00 0.00 H new ATOM 1070 N ASP A 67 -2.675 -0.159 -5.588 1.00 0.00 N ATOM 1071 CA ASP A 67 -1.255 -0.635 -5.499 1.00 0.00 C ATOM 1072 C ASP A 67 -0.328 -0.106 -6.669 1.00 0.00 C ATOM 1073 O ASP A 67 0.701 0.492 -6.338 1.00 0.00 O ATOM 1074 CB ASP A 67 -1.205 -2.193 -5.372 1.00 0.00 C ATOM 1075 CG ASP A 67 -0.715 -2.811 -4.069 1.00 0.00 C ATOM 1076 OD1 ASP A 67 -0.605 -2.132 -3.033 1.00 0.00 O ATOM 1077 OD2 ASP A 67 -0.430 -4.019 -4.076 1.00 0.00 O ATOM 0 H ASP A 67 -3.267 -0.727 -6.193 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.838 -0.198 -4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.210 -2.571 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.570 -2.569 -6.174 1.00 0.00 H new ATOM 1082 N PRO A 68 -0.556 -0.338 -8.005 1.00 0.00 N ATOM 1083 CA PRO A 68 0.500 -0.140 -9.037 1.00 0.00 C ATOM 1084 C PRO A 68 0.468 1.269 -9.734 1.00 0.00 C ATOM 1085 O PRO A 68 0.706 2.274 -9.067 1.00 0.00 O ATOM 1086 CB PRO A 68 0.241 -1.417 -9.869 1.00 0.00 C ATOM 1087 CG PRO A 68 -1.280 -1.566 -9.893 1.00 0.00 C ATOM 1088 CD PRO A 68 -1.743 -1.052 -8.533 1.00 0.00 C ATOM 0 HA PRO A 68 1.535 -0.068 -8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.645 -1.321 -10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.717 -2.287 -9.416 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.721 -0.989 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.573 -2.605 -10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.601 -0.387 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.043 -1.869 -7.877 1.00 0.00 H new ATOM 1096 N LEU A 69 0.248 1.339 -11.058 1.00 0.00 N ATOM 1097 CA LEU A 69 0.075 2.616 -11.821 1.00 0.00 C ATOM 1098 C LEU A 69 -0.861 2.438 -13.083 1.00 0.00 C ATOM 1099 O LEU A 69 -1.777 3.260 -13.194 1.00 0.00 O ATOM 1100 CB LEU A 69 1.411 3.313 -12.250 1.00 0.00 C ATOM 1101 CG LEU A 69 2.319 3.980 -11.185 1.00 0.00 C ATOM 1102 CD1 LEU A 69 3.644 4.442 -11.819 1.00 0.00 C ATOM 1103 CD2 LEU A 69 1.651 5.195 -10.532 1.00 0.00 C ATOM 0 H LEU A 69 0.182 0.509 -11.647 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.405 3.280 -11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.014 2.566 -12.767 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.155 4.079 -12.982 1.00 0.00 H new ATOM 0 HG LEU A 69 2.502 3.226 -10.420 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.269 4.908 -11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.165 3.582 -12.240 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.437 5.163 -12.609 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.326 5.628 -9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.423 5.939 -11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.728 4.883 -10.042 1.00 0.00 H new ATOM 1115 N PRO A 70 -0.689 1.499 -14.075 1.00 0.00 N ATOM 1116 CA PRO A 70 -1.552 1.454 -15.292 1.00 0.00 C ATOM 1117 C PRO A 70 -2.909 0.699 -15.109 1.00 0.00 C ATOM 1118 O PRO A 70 -3.042 -0.197 -14.271 1.00 0.00 O ATOM 1119 CB PRO A 70 -0.597 0.751 -16.280 1.00 0.00 C ATOM 1120 CG PRO A 70 0.178 -0.256 -15.427 1.00 0.00 C ATOM 1121 CD PRO A 70 0.373 0.468 -14.094 1.00 0.00 C ATOM 0 HA PRO A 70 -1.907 2.435 -15.608 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.149 0.252 -17.076 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.075 1.465 -16.757 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.378 -1.185 -15.300 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.133 -0.516 -15.884 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.276 -0.217 -13.252 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.364 0.917 -14.027 1.00 0.00 H new ATOM 1129 N GLU A 71 -3.885 1.014 -15.967 1.00 0.00 N ATOM 1130 CA GLU A 71 -5.195 0.305 -16.052 1.00 0.00 C ATOM 1131 C GLU A 71 -5.136 -1.120 -16.726 1.00 0.00 C ATOM 1132 O GLU A 71 -5.707 -1.381 -17.788 1.00 0.00 O ATOM 1133 CB GLU A 71 -6.208 1.290 -16.717 1.00 0.00 C ATOM 1134 CG GLU A 71 -5.864 1.908 -18.112 1.00 0.00 C ATOM 1135 CD GLU A 71 -5.087 3.212 -18.081 1.00 0.00 C ATOM 1136 OE1 GLU A 71 -3.861 3.214 -17.826 1.00 0.00 O ATOM 1137 OE2 GLU A 71 -5.712 4.280 -18.234 1.00 0.00 O ATOM 0 H GLU A 71 -3.800 1.778 -16.638 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.532 0.049 -15.047 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.159 0.767 -16.815 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.368 2.115 -16.023 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.289 1.177 -18.681 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.795 2.074 -18.655 1.00 0.00 H new ATOM 1144 N GLN A 72 -4.424 -2.061 -16.086 1.00 0.00 N ATOM 1145 CA GLN A 72 -4.095 -3.386 -16.682 1.00 0.00 C ATOM 1146 C GLN A 72 -4.308 -4.513 -15.605 1.00 0.00 C ATOM 1147 O GLN A 72 -3.332 -4.864 -14.934 1.00 0.00 O ATOM 1148 CB GLN A 72 -2.635 -3.340 -17.225 1.00 0.00 C ATOM 1149 CG GLN A 72 -2.377 -2.422 -18.452 1.00 0.00 C ATOM 1150 CD GLN A 72 -0.930 -2.388 -18.951 1.00 0.00 C ATOM 1151 OE1 GLN A 72 -0.027 -3.059 -18.457 1.00 0.00 O ATOM 1152 NE2 GLN A 72 -0.663 -1.611 -19.966 1.00 0.00 N ATOM 0 H GLN A 72 -4.056 -1.935 -15.143 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.755 -3.616 -17.519 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.980 -3.018 -16.415 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.338 -4.355 -17.490 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.019 -2.748 -19.270 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.679 -1.407 -18.195 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.403 -1.048 -20.386 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.285 -1.567 -20.339 1.00 0.00 H new ATOM 1161 N PRO A 73 -5.516 -5.114 -15.382 1.00 0.00 N ATOM 1162 CA PRO A 73 -5.760 -6.016 -14.214 1.00 0.00 C ATOM 1163 C PRO A 73 -5.115 -7.445 -14.292 1.00 0.00 C ATOM 1164 O PRO A 73 -5.684 -8.400 -14.826 1.00 0.00 O ATOM 1165 CB PRO A 73 -7.302 -6.005 -14.130 1.00 0.00 C ATOM 1166 CG PRO A 73 -7.781 -5.724 -15.555 1.00 0.00 C ATOM 1167 CD PRO A 73 -6.749 -4.745 -16.110 1.00 0.00 C ATOM 0 HA PRO A 73 -5.265 -5.666 -13.308 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.683 -6.960 -13.768 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.653 -5.239 -13.439 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.823 -6.637 -16.148 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.782 -5.293 -15.561 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.629 -4.853 -17.188 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.034 -3.710 -15.923 1.00 0.00 H new ATOM 1175 N SER A 74 -3.909 -7.577 -13.720 1.00 0.00 N ATOM 1176 CA SER A 74 -3.208 -8.883 -13.545 1.00 0.00 C ATOM 1177 C SER A 74 -2.327 -8.846 -12.237 1.00 0.00 C ATOM 1178 O SER A 74 -2.790 -8.383 -11.190 1.00 0.00 O ATOM 1179 CB SER A 74 -2.484 -9.209 -14.889 1.00 0.00 C ATOM 1180 OG SER A 74 -1.898 -10.512 -14.865 1.00 0.00 O ATOM 0 H SER A 74 -3.379 -6.783 -13.360 1.00 0.00 H new ATOM 0 HA SER A 74 -3.880 -9.722 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.196 -9.144 -15.712 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.711 -8.464 -15.077 1.00 0.00 H new ATOM 0 HG SER A 74 -1.454 -10.687 -15.721 1.00 0.00 H new ATOM 1186 N SER A 75 -1.063 -9.309 -12.264 1.00 0.00 N ATOM 1187 CA SER A 75 -0.104 -9.168 -11.125 1.00 0.00 C ATOM 1188 C SER A 75 1.350 -8.762 -11.567 1.00 0.00 C ATOM 1189 O SER A 75 1.742 -8.888 -12.732 1.00 0.00 O ATOM 1190 CB SER A 75 -0.152 -10.464 -10.275 1.00 0.00 C ATOM 1191 OG SER A 75 0.369 -11.595 -10.974 1.00 0.00 O ATOM 0 H SER A 75 -0.667 -9.793 -13.070 1.00 0.00 H new ATOM 0 HA SER A 75 -0.419 -8.328 -10.507 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.417 -10.314 -9.357 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.183 -10.665 -9.982 1.00 0.00 H new ATOM 0 HG SER A 75 0.320 -12.387 -10.398 1.00 0.00 H new ATOM 1197 N GLN A 76 2.137 -8.244 -10.604 1.00 0.00 N ATOM 1198 CA GLN A 76 3.504 -7.676 -10.820 1.00 0.00 C ATOM 1199 C GLN A 76 3.502 -6.266 -11.514 1.00 0.00 C ATOM 1200 O GLN A 76 3.821 -6.110 -12.696 1.00 0.00 O ATOM 1201 CB GLN A 76 4.514 -8.724 -11.369 1.00 0.00 C ATOM 1202 CG GLN A 76 6.008 -8.315 -11.252 1.00 0.00 C ATOM 1203 CD GLN A 76 7.005 -9.438 -11.534 1.00 0.00 C ATOM 1204 OE1 GLN A 76 7.560 -10.047 -10.629 1.00 0.00 O ATOM 1205 NE2 GLN A 76 7.275 -9.745 -12.775 1.00 0.00 N ATOM 0 H GLN A 76 1.843 -8.203 -9.628 1.00 0.00 H new ATOM 0 HA GLN A 76 3.907 -7.439 -9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.367 -9.663 -10.836 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.285 -8.913 -12.418 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.201 -7.495 -11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.188 -7.933 -10.247 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.817 -9.243 -13.536 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.943 -10.487 -12.983 1.00 0.00 H new ATOM 1214 N HIS A 77 3.138 -5.224 -10.741 1.00 0.00 N ATOM 1215 CA HIS A 77 2.820 -3.861 -11.266 1.00 0.00 C ATOM 1216 C HIS A 77 1.683 -3.775 -12.361 1.00 0.00 C ATOM 1217 O HIS A 77 1.845 -3.156 -13.417 1.00 0.00 O ATOM 1218 CB HIS A 77 4.151 -3.114 -11.569 1.00 0.00 C ATOM 1219 CG HIS A 77 4.019 -1.600 -11.700 1.00 0.00 C ATOM 1220 ND1 HIS A 77 3.914 -0.742 -10.621 1.00 0.00 N ATOM 1221 CD2 HIS A 77 3.953 -0.871 -12.902 1.00 0.00 C ATOM 1222 CE1 HIS A 77 3.801 0.465 -11.254 1.00 0.00 C ATOM 1223 NE2 HIS A 77 3.828 0.488 -12.625 1.00 0.00 N ATOM 0 H HIS A 77 3.053 -5.294 -9.727 1.00 0.00 H new ATOM 0 HA HIS A 77 2.308 -3.307 -10.479 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.864 -3.335 -10.775 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.571 -3.509 -12.494 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.993 -1.301 -13.892 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.693 1.378 -10.688 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.772 1.281 -13.264 1.00 0.00 H new ATOM 1232 N ARG A 78 0.526 -4.376 -12.059 1.00 0.00 N ATOM 1233 CA ARG A 78 -0.613 -4.553 -13.001 1.00 0.00 C ATOM 1234 C ARG A 78 -1.961 -4.311 -12.226 1.00 0.00 C ATOM 1235 O ARG A 78 -2.594 -3.275 -12.428 1.00 0.00 O ATOM 1236 CB ARG A 78 -0.512 -5.970 -13.643 1.00 0.00 C ATOM 1237 CG ARG A 78 0.621 -6.300 -14.646 1.00 0.00 C ATOM 1238 CD ARG A 78 0.426 -5.735 -16.068 1.00 0.00 C ATOM 1239 NE ARG A 78 1.321 -6.504 -16.984 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.191 -6.595 -18.303 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.419 -5.826 -19.011 1.00 0.00 N ATOM 1242 NH2 ARG A 78 1.881 -7.495 -18.927 1.00 0.00 N ATOM 0 H ARG A 78 0.340 -4.766 -11.135 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.583 -3.828 -13.814 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.438 -6.688 -12.827 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.457 -6.161 -14.151 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.560 -5.918 -14.246 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.720 -7.383 -14.713 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.614 -5.831 -16.379 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.671 -4.673 -16.095 1.00 0.00 H new ATOM 0 HE ARG A 78 2.102 -7.004 -16.559 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.133 -5.099 -18.556 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.365 -5.949 -20.022 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.505 -8.112 -18.406 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.801 -7.588 -19.940 1.00 0.00 H new ATOM 1256 N GLY A 79 -2.381 -5.215 -11.314 1.00 0.00 N ATOM 1257 CA GLY A 79 -3.543 -4.993 -10.397 1.00 0.00 C ATOM 1258 C GLY A 79 -3.302 -5.459 -8.940 1.00 0.00 C ATOM 1259 O GLY A 79 -4.012 -6.319 -8.422 1.00 0.00 O ATOM 0 H GLY A 79 -1.931 -6.121 -11.185 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.788 -3.931 -10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.411 -5.518 -10.795 1.00 0.00 H new ATOM 1263 N ASP A 80 -2.294 -4.872 -8.276 1.00 0.00 N ATOM 1264 CA ASP A 80 -1.569 -5.513 -7.127 1.00 0.00 C ATOM 1265 C ASP A 80 -2.340 -6.012 -5.844 1.00 0.00 C ATOM 1266 O ASP A 80 -1.859 -6.892 -5.119 1.00 0.00 O ATOM 1267 CB ASP A 80 -0.540 -6.539 -7.689 1.00 0.00 C ATOM 1268 CG ASP A 80 0.576 -5.942 -8.531 1.00 0.00 C ATOM 1269 OD1 ASP A 80 1.589 -5.464 -7.980 1.00 0.00 O ATOM 1270 OD2 ASP A 80 0.447 -5.943 -9.764 1.00 0.00 O ATOM 0 H ASP A 80 -1.946 -3.941 -8.507 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.087 -4.664 -6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.094 -7.077 -6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.075 -7.273 -8.292 1.00 0.00 H new ATOM 1275 N HIS A 81 -3.465 -5.372 -5.477 1.00 0.00 N ATOM 1276 CA HIS A 81 -4.216 -5.693 -4.223 1.00 0.00 C ATOM 1277 C HIS A 81 -5.761 -5.369 -4.154 1.00 0.00 C ATOM 1278 O HIS A 81 -6.408 -6.083 -3.380 1.00 0.00 O ATOM 1279 CB HIS A 81 -3.512 -5.225 -2.938 1.00 0.00 C ATOM 1280 CG HIS A 81 -3.825 -3.796 -2.605 1.00 0.00 C ATOM 1281 ND1 HIS A 81 -4.093 -2.785 -3.525 1.00 0.00 N ATOM 1282 CD2 HIS A 81 -3.554 -3.279 -1.346 1.00 0.00 C ATOM 1283 CE1 HIS A 81 -3.966 -1.708 -2.726 1.00 0.00 C ATOM 1284 NE2 HIS A 81 -3.644 -1.913 -1.420 1.00 0.00 N ATOM 0 H HIS A 81 -3.886 -4.623 -6.027 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.189 -6.781 -4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.814 -5.864 -2.108 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.434 -5.341 -3.054 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.314 -3.852 -0.463 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.116 -0.710 -3.111 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.505 -1.223 -0.681 1.00 0.00 H new ATOM 1293 N PRO A 82 -6.425 -4.355 -4.795 1.00 0.00 N ATOM 1294 CA PRO A 82 -7.908 -4.189 -4.751 1.00 0.00 C ATOM 1295 C PRO A 82 -8.676 -4.958 -5.887 1.00 0.00 C ATOM 1296 O PRO A 82 -8.095 -5.660 -6.718 1.00 0.00 O ATOM 1297 CB PRO A 82 -7.993 -2.638 -4.862 1.00 0.00 C ATOM 1298 CG PRO A 82 -6.604 -2.102 -5.220 1.00 0.00 C ATOM 1299 CD PRO A 82 -5.818 -3.327 -5.668 1.00 0.00 C ATOM 0 HA PRO A 82 -8.390 -4.612 -3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.718 -2.352 -5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.334 -2.209 -3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.660 -1.356 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.133 -1.621 -4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.955 -3.546 -6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.746 -3.218 -5.501 1.00 0.00 H new ATOM 1307 N THR A 83 -9.981 -4.682 -6.021 1.00 0.00 N ATOM 1308 CA THR A 83 -10.583 -4.477 -7.378 1.00 0.00 C ATOM 1309 C THR A 83 -10.224 -3.012 -7.839 1.00 0.00 C ATOM 1310 O THR A 83 -10.941 -2.060 -7.517 1.00 0.00 O ATOM 1311 CB THR A 83 -12.118 -4.769 -7.308 1.00 0.00 C ATOM 1312 OG1 THR A 83 -12.372 -6.103 -6.884 1.00 0.00 O ATOM 1313 CG2 THR A 83 -12.860 -4.620 -8.646 1.00 0.00 C ATOM 0 H THR A 83 -10.635 -4.594 -5.243 1.00 0.00 H new ATOM 0 HA THR A 83 -10.184 -5.164 -8.124 1.00 0.00 H new ATOM 0 HB THR A 83 -12.484 -4.022 -6.603 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.339 -6.256 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.918 -4.841 -8.502 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.749 -3.599 -9.012 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.440 -5.314 -9.374 1.00 0.00 H new ATOM 1321 N GLY A 84 -9.039 -2.834 -8.453 1.00 0.00 N ATOM 1322 CA GLY A 84 -8.433 -1.479 -8.633 1.00 0.00 C ATOM 1323 C GLY A 84 -6.977 -1.494 -9.178 1.00 0.00 C ATOM 1324 O GLY A 84 -6.038 -1.498 -8.373 1.00 0.00 O ATOM 0 H GLY A 84 -8.478 -3.596 -8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.058 -0.903 -9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.444 -0.959 -7.675 1.00 0.00 H new ATOM 1328 N PRO A 85 -6.711 -1.505 -10.513 1.00 0.00 N ATOM 1329 CA PRO A 85 -5.352 -1.213 -11.059 1.00 0.00 C ATOM 1330 C PRO A 85 -4.894 0.298 -11.092 1.00 0.00 C ATOM 1331 O PRO A 85 -3.700 0.580 -10.958 1.00 0.00 O ATOM 1332 CB PRO A 85 -5.487 -1.890 -12.436 1.00 0.00 C ATOM 1333 CG PRO A 85 -6.946 -1.694 -12.859 1.00 0.00 C ATOM 1334 CD PRO A 85 -7.739 -1.743 -11.551 1.00 0.00 C ATOM 0 HA PRO A 85 -4.542 -1.581 -10.430 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.807 -1.442 -13.160 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.236 -2.949 -12.377 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.085 -0.742 -13.371 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.268 -2.476 -13.547 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.518 -0.981 -11.526 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.230 -2.707 -11.416 1.00 0.00 H new ATOM 1342 N LYS A 86 -5.828 1.247 -11.276 1.00 0.00 N ATOM 1343 CA LYS A 86 -5.543 2.704 -11.393 1.00 0.00 C ATOM 1344 C LYS A 86 -6.714 3.496 -10.710 1.00 0.00 C ATOM 1345 O LYS A 86 -7.723 3.799 -11.351 1.00 0.00 O ATOM 1346 CB LYS A 86 -5.346 2.996 -12.906 1.00 0.00 C ATOM 1347 CG LYS A 86 -4.958 4.448 -13.271 1.00 0.00 C ATOM 1348 CD LYS A 86 -4.705 4.561 -14.787 1.00 0.00 C ATOM 1349 CE LYS A 86 -4.418 5.988 -15.279 1.00 0.00 C ATOM 1350 NZ LYS A 86 -4.188 5.901 -16.748 1.00 0.00 N ATOM 0 H LYS A 86 -6.822 1.029 -11.350 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.637 3.024 -10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.574 2.328 -13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.270 2.746 -13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.754 5.131 -12.975 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.064 4.743 -12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.862 3.923 -15.051 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.575 4.175 -15.318 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.256 6.649 -15.058 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.544 6.402 -14.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.972 6.847 -17.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.389 5.263 -16.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.042 5.532 -17.212 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.566 3.791 -9.403 1.00 0.00 N ATOM 1365 CA GLU A 87 -7.693 3.795 -8.419 1.00 0.00 C ATOM 1366 C GLU A 87 -7.914 2.311 -7.957 1.00 0.00 C ATOM 1367 O GLU A 87 -8.920 1.659 -8.320 1.00 0.00 O ATOM 1368 CB GLU A 87 -8.943 4.666 -8.794 1.00 0.00 C ATOM 1369 CG GLU A 87 -9.877 5.189 -7.652 1.00 0.00 C ATOM 1370 CD GLU A 87 -9.728 6.592 -7.049 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -9.095 7.494 -7.638 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -10.282 6.824 -5.950 1.00 0.00 O ATOM 1373 OXT GLU A 87 -7.037 1.774 -7.234 1.00 0.00 O ATOM 0 H GLU A 87 -5.666 4.035 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.423 4.372 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.585 5.533 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.557 4.081 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.899 5.116 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.788 4.483 -6.827 1.00 0.00 H new