USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 737 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 70 HIS : no HE2:sc= -9.5! C(o=-13!,f=-19!) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -3.28! C(o=-13!,f=-14!) USER MOD Set 2.1: A 35 HIS : no HE2:sc= -8.11! C(o=-16!,f=-17!) USER MOD Set 2.2: A 52 HIS : no HE2:sc= -7.64! C(o=-16!,f=-20!) USER MOD Set 3.1: A 22 HIS : no HE2:sc= -0.365 X(o=-0.97,f=-0.9) USER MOD Set 3.2: A 34 HIS : no HD1:sc= -0.602 X(o=-0.97,f=-1.4) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.334 K(o=-1.6,f=-2.4) USER MOD Set 4.2: A 24 THR OG1 : rot 31:sc= 0.0844 USER MOD Set 4.3: A 25 HIS : no HD1:sc= -1.24 K(o=-1.6,f=-3.7) USER MOD Set 4.4: A 83 HIS : no HE2:sc= -0.0637 K(o=-1.6,f=-3) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -3.55! C(o=-3.5!,f=-3.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00646) USER MOD Single : A 27 SER OG : rot -75:sc= 0.804 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.145 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.13) USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.185) USER MOD Single : A 43 TYR OH : rot 130:sc= -1.49 USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0218) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0053 USER MOD Single : A 51 CYS SG : rot 180:sc= -0.61 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= -0.163 (180deg=-0.163) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= 0.163 (180deg=-0.212) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-4.4!) USER MOD Single : A 69 MET CE :methyl -157:sc= -6.14! (180deg=-8.03!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 106:sc= 1.27 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 171:sc= 1.54 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= -0.829 (180deg=-0.829) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -8:sc= -1.29! USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -165:sc=-0.000334 (180deg=-0.157) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 37:sc= 0.954 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 180:sc= 0.00413 USER MOD ----------------------------------------------------------------- ATOM 49 N ALA A 4 -3.328 -9.915 -8.664 1.00 0.00 N ATOM 50 CA ALA A 4 -3.865 -8.603 -8.983 1.00 0.00 C ATOM 51 C ALA A 4 -4.945 -8.746 -10.057 1.00 0.00 C ATOM 52 O ALA A 4 -4.669 -8.843 -11.251 1.00 0.00 O ATOM 53 CB ALA A 4 -2.728 -7.677 -9.419 1.00 0.00 C ATOM 0 HA ALA A 4 -4.330 -8.156 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.131 -6.693 -9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.003 -7.585 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.238 -8.092 -10.300 1.00 0.00 H new ATOM 59 N PRO A 5 -6.199 -8.758 -9.599 1.00 0.00 N ATOM 60 CA PRO A 5 -7.372 -8.882 -10.437 1.00 0.00 C ATOM 61 C PRO A 5 -7.399 -7.747 -11.450 1.00 0.00 C ATOM 62 O PRO A 5 -6.721 -6.743 -11.235 1.00 0.00 O ATOM 63 CB PRO A 5 -8.553 -8.785 -9.474 1.00 0.00 C ATOM 64 CG PRO A 5 -7.999 -9.150 -8.126 1.00 0.00 C ATOM 65 CD PRO A 5 -6.559 -8.647 -8.202 1.00 0.00 C ATOM 0 HA PRO A 5 -7.392 -9.813 -11.003 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.973 -7.779 -9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.355 -9.463 -9.766 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.552 -8.671 -7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.043 -10.225 -7.949 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.482 -7.617 -7.855 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.898 -9.245 -7.575 1.00 0.00 H new ATOM 73 N ALA A 6 -8.165 -7.920 -12.517 1.00 0.00 N ATOM 74 CA ALA A 6 -8.260 -6.897 -13.544 1.00 0.00 C ATOM 75 C ALA A 6 -9.099 -5.730 -13.020 1.00 0.00 C ATOM 76 O ALA A 6 -10.064 -5.935 -12.285 1.00 0.00 O ATOM 77 CB ALA A 6 -8.844 -7.508 -14.820 1.00 0.00 C ATOM 0 H ALA A 6 -8.726 -8.754 -12.692 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.272 -6.508 -13.791 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.916 -6.741 -15.591 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.196 -8.313 -15.168 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.837 -7.906 -14.611 1.00 0.00 H new ATOM 83 N ASP A 7 -8.701 -4.531 -13.418 1.00 0.00 N ATOM 84 CA ASP A 7 -9.403 -3.331 -12.998 1.00 0.00 C ATOM 85 C ASP A 7 -10.907 -3.610 -12.965 1.00 0.00 C ATOM 86 O ASP A 7 -11.409 -4.417 -13.747 1.00 0.00 O ATOM 87 CB ASP A 7 -9.158 -2.178 -13.973 1.00 0.00 C ATOM 88 CG ASP A 7 -8.129 -2.466 -15.068 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.958 -2.700 -14.699 1.00 0.00 O ATOM 90 OD2 ASP A 7 -8.536 -2.445 -16.250 1.00 0.00 O ATOM 0 H ASP A 7 -7.900 -4.365 -14.028 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.033 -3.053 -12.011 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.104 -1.914 -14.445 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.830 -1.306 -13.407 1.00 0.00 H new ATOM 95 N GLY A 8 -11.585 -2.928 -12.054 1.00 0.00 N ATOM 96 CA GLY A 8 -13.021 -3.093 -11.910 1.00 0.00 C ATOM 97 C GLY A 8 -13.436 -3.022 -10.439 1.00 0.00 C ATOM 98 O GLY A 8 -14.254 -3.818 -9.981 1.00 0.00 O ATOM 0 H GLY A 8 -11.166 -2.259 -11.408 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.538 -2.318 -12.475 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.325 -4.051 -12.331 1.00 0.00 H new ATOM 102 N LEU A 9 -12.854 -2.059 -9.739 1.00 0.00 N ATOM 103 CA LEU A 9 -13.153 -1.873 -8.329 1.00 0.00 C ATOM 104 C LEU A 9 -13.492 -0.403 -8.074 1.00 0.00 C ATOM 105 O LEU A 9 -12.780 0.490 -8.529 1.00 0.00 O ATOM 106 CB LEU A 9 -12.005 -2.398 -7.464 1.00 0.00 C ATOM 107 CG LEU A 9 -11.007 -1.351 -6.965 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.440 -0.781 -5.613 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.589 -1.924 -6.919 1.00 0.00 C ATOM 0 H LEU A 9 -12.177 -1.399 -10.122 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.029 -2.457 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.431 -2.906 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.459 -3.148 -8.036 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.997 -0.523 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.713 -0.039 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.418 -0.311 -5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.497 -1.586 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.899 -1.160 -6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.564 -2.780 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.292 -2.241 -7.919 1.00 0.00 H new ATOM 121 N LYS A 10 -14.581 -0.198 -7.347 1.00 0.00 N ATOM 122 CA LYS A 10 -15.024 1.148 -7.026 1.00 0.00 C ATOM 123 C LYS A 10 -15.452 1.203 -5.558 1.00 0.00 C ATOM 124 O LYS A 10 -16.176 0.328 -5.086 1.00 0.00 O ATOM 125 CB LYS A 10 -16.112 1.601 -8.001 1.00 0.00 C ATOM 126 CG LYS A 10 -17.501 1.203 -7.497 1.00 0.00 C ATOM 127 CD LYS A 10 -17.682 -0.315 -7.531 1.00 0.00 C ATOM 128 CE LYS A 10 -19.083 -0.689 -8.021 1.00 0.00 C ATOM 129 NZ LYS A 10 -19.301 -2.148 -7.904 1.00 0.00 N ATOM 0 H LYS A 10 -15.169 -0.942 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.205 1.857 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.064 2.682 -8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.936 1.156 -8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.640 1.567 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -18.265 1.678 -8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.933 -0.760 -8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.519 -0.727 -6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.833 -0.155 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.207 -0.379 -9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.256 -2.384 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.596 -2.652 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.204 -2.435 -6.909 1.00 0.00 H new ATOM 143 N MET A 11 -14.985 2.239 -4.877 1.00 0.00 N ATOM 144 CA MET A 11 -15.311 2.420 -3.472 1.00 0.00 C ATOM 145 C MET A 11 -16.329 3.546 -3.286 1.00 0.00 C ATOM 146 O MET A 11 -15.960 4.718 -3.224 1.00 0.00 O ATOM 147 CB MET A 11 -14.037 2.748 -2.691 1.00 0.00 C ATOM 148 CG MET A 11 -12.897 1.804 -3.079 1.00 0.00 C ATOM 149 SD MET A 11 -11.336 2.665 -2.994 1.00 0.00 S ATOM 150 CE MET A 11 -10.985 2.501 -1.252 1.00 0.00 C ATOM 0 H MET A 11 -14.383 2.962 -5.272 1.00 0.00 H new ATOM 0 HA MET A 11 -15.749 1.495 -3.098 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.742 3.779 -2.886 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.231 2.669 -1.621 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.884 0.943 -2.411 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.057 1.423 -4.087 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.037 2.988 -1.025 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.781 2.971 -0.675 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.922 1.444 -0.991 1.00 0.00 H new ATOM 160 N GLU A 12 -17.591 3.151 -3.201 1.00 0.00 N ATOM 161 CA GLU A 12 -18.665 4.113 -3.023 1.00 0.00 C ATOM 162 C GLU A 12 -19.555 3.704 -1.847 1.00 0.00 C ATOM 163 O GLU A 12 -20.780 3.708 -1.960 1.00 0.00 O ATOM 164 CB GLU A 12 -19.486 4.262 -4.306 1.00 0.00 C ATOM 165 CG GLU A 12 -20.257 2.978 -4.616 1.00 0.00 C ATOM 166 CD GLU A 12 -21.668 3.292 -5.116 1.00 0.00 C ATOM 167 OE1 GLU A 12 -21.817 4.346 -5.771 1.00 0.00 O ATOM 168 OE2 GLU A 12 -22.567 2.471 -4.831 1.00 0.00 O ATOM 0 H GLU A 12 -17.893 2.178 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.223 5.084 -2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.184 5.093 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.825 4.504 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.721 2.401 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.314 2.359 -3.721 1.00 0.00 H new ATOM 175 N ALA A 13 -18.904 3.360 -0.746 1.00 0.00 N ATOM 176 CA ALA A 13 -19.620 2.949 0.450 1.00 0.00 C ATOM 177 C ALA A 13 -20.223 4.181 1.127 1.00 0.00 C ATOM 178 O ALA A 13 -21.128 4.061 1.951 1.00 0.00 O ATOM 179 CB ALA A 13 -18.673 2.181 1.373 1.00 0.00 C ATOM 0 H ALA A 13 -17.888 3.357 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.441 2.279 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.210 1.873 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.296 1.299 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.838 2.823 1.653 1.00 0.00 H new ATOM 185 N THR A 14 -19.697 5.339 0.754 1.00 0.00 N ATOM 186 CA THR A 14 -20.171 6.592 1.316 1.00 0.00 C ATOM 187 C THR A 14 -20.887 7.419 0.246 1.00 0.00 C ATOM 188 O THR A 14 -21.390 6.871 -0.733 1.00 0.00 O ATOM 189 CB THR A 14 -18.975 7.313 1.942 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.353 7.972 0.842 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.906 6.342 2.447 1.00 0.00 C ATOM 0 H THR A 14 -18.947 5.435 0.069 1.00 0.00 H new ATOM 0 HA THR A 14 -20.910 6.420 2.098 1.00 0.00 H new ATOM 0 HB THR A 14 -19.318 7.937 2.767 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.568 8.466 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.080 6.904 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.338 5.688 3.204 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.538 5.741 1.615 1.00 0.00 H new ATOM 199 N LYS A 15 -20.909 8.725 0.469 1.00 0.00 N ATOM 200 CA LYS A 15 -21.555 9.633 -0.463 1.00 0.00 C ATOM 201 C LYS A 15 -20.529 10.117 -1.490 1.00 0.00 C ATOM 202 O LYS A 15 -20.685 11.190 -2.070 1.00 0.00 O ATOM 203 CB LYS A 15 -22.254 10.766 0.289 1.00 0.00 C ATOM 204 CG LYS A 15 -23.203 10.214 1.354 1.00 0.00 C ATOM 205 CD LYS A 15 -24.398 11.147 1.561 1.00 0.00 C ATOM 206 CE LYS A 15 -24.493 11.602 3.018 1.00 0.00 C ATOM 207 NZ LYS A 15 -23.440 12.597 3.320 1.00 0.00 N ATOM 0 H LYS A 15 -20.490 9.176 1.282 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.341 9.117 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.510 11.409 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -22.811 11.384 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.555 9.227 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.667 10.090 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.302 12.016 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.317 10.635 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -25.475 12.035 3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -24.391 10.743 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -23.519 12.895 4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.504 12.172 3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -23.556 13.424 2.700 1.00 0.00 H new ATOM 221 N GLN A 16 -19.501 9.303 -1.682 1.00 0.00 N ATOM 222 CA GLN A 16 -18.450 9.635 -2.628 1.00 0.00 C ATOM 223 C GLN A 16 -17.852 8.359 -3.227 1.00 0.00 C ATOM 224 O GLN A 16 -17.061 7.655 -2.604 1.00 0.00 O ATOM 225 CB GLN A 16 -17.368 10.490 -1.967 1.00 0.00 C ATOM 226 CG GLN A 16 -17.290 11.874 -2.616 1.00 0.00 C ATOM 227 CD GLN A 16 -18.587 12.655 -2.397 1.00 0.00 C ATOM 228 OE1 GLN A 16 -18.905 13.087 -1.302 1.00 0.00 O ATOM 229 NE2 GLN A 16 -19.317 12.811 -3.499 1.00 0.00 N ATOM 0 H GLN A 16 -19.374 8.414 -1.198 1.00 0.00 H new ATOM 0 HA GLN A 16 -18.887 10.222 -3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -17.582 10.595 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -16.403 9.990 -2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -16.451 12.430 -2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.100 11.769 -3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.992 12.424 -4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.201 13.318 -3.458 1.00 0.00 H new ATOM 238 N PRO A 17 -18.255 8.076 -4.468 1.00 0.00 N ATOM 239 CA PRO A 17 -17.816 6.923 -5.224 1.00 0.00 C ATOM 240 C PRO A 17 -16.481 7.227 -5.888 1.00 0.00 C ATOM 241 O PRO A 17 -16.448 8.036 -6.814 1.00 0.00 O ATOM 242 CB PRO A 17 -18.909 6.700 -6.268 1.00 0.00 C ATOM 243 CG PRO A 17 -19.432 8.092 -6.512 1.00 0.00 C ATOM 244 CD PRO A 17 -19.185 8.882 -5.229 1.00 0.00 C ATOM 0 HA PRO A 17 -17.669 6.039 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.512 6.252 -7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.689 6.034 -5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.922 8.555 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.494 8.070 -6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.770 9.866 -5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.112 9.041 -4.678 1.00 0.00 H new ATOM 252 N VAL A 18 -15.422 6.587 -5.414 1.00 0.00 N ATOM 253 CA VAL A 18 -14.101 6.806 -5.977 1.00 0.00 C ATOM 254 C VAL A 18 -13.535 5.474 -6.472 1.00 0.00 C ATOM 255 O VAL A 18 -13.301 4.562 -5.681 1.00 0.00 O ATOM 256 CB VAL A 18 -13.201 7.492 -4.947 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.756 7.566 -5.444 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.732 8.883 -4.595 1.00 0.00 C ATOM 0 H VAL A 18 -15.452 5.916 -4.646 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.158 7.474 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.212 6.890 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.138 8.058 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.380 6.558 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.720 8.135 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.074 9.349 -3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.765 9.498 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.735 8.795 -4.178 1.00 0.00 H new ATOM 268 N VAL A 19 -13.330 5.404 -7.779 1.00 0.00 N ATOM 269 CA VAL A 19 -12.796 4.198 -8.390 1.00 0.00 C ATOM 270 C VAL A 19 -11.267 4.251 -8.359 1.00 0.00 C ATOM 271 O VAL A 19 -10.676 5.319 -8.510 1.00 0.00 O ATOM 272 CB VAL A 19 -13.360 4.032 -9.802 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.397 4.598 -10.847 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.686 2.566 -10.094 1.00 0.00 C ATOM 0 H VAL A 19 -13.524 6.163 -8.432 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.103 3.316 -7.827 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.289 4.599 -9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.822 4.467 -11.842 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.237 5.659 -10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.445 4.071 -10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -14.085 2.476 -11.104 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.779 1.967 -10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.426 2.208 -9.378 1.00 0.00 H new ATOM 284 N PHE A 20 -10.670 3.085 -8.163 1.00 0.00 N ATOM 285 CA PHE A 20 -9.222 2.984 -8.110 1.00 0.00 C ATOM 286 C PHE A 20 -8.732 1.732 -8.839 1.00 0.00 C ATOM 287 O PHE A 20 -9.022 0.612 -8.421 1.00 0.00 O ATOM 288 CB PHE A 20 -8.833 2.886 -6.634 1.00 0.00 C ATOM 289 CG PHE A 20 -7.604 2.013 -6.371 1.00 0.00 C ATOM 290 CD1 PHE A 20 -7.744 0.667 -6.229 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.373 2.582 -6.278 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.603 -0.143 -5.985 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.233 1.772 -6.034 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.372 0.427 -5.892 1.00 0.00 C ATOM 0 H PHE A 20 -11.164 2.201 -8.039 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.772 3.852 -8.592 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.642 3.889 -6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.677 2.486 -6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.722 0.215 -6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.262 3.650 -6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.713 -1.212 -5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.255 2.224 -5.961 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.505 -0.189 -5.705 1.00 0.00 H new ATOM 304 N ASN A 21 -7.997 1.962 -9.918 1.00 0.00 N ATOM 305 CA ASN A 21 -7.464 0.866 -10.709 1.00 0.00 C ATOM 306 C ASN A 21 -6.067 0.508 -10.199 1.00 0.00 C ATOM 307 O ASN A 21 -5.295 1.381 -9.809 1.00 0.00 O ATOM 308 CB ASN A 21 -7.344 1.259 -12.183 1.00 0.00 C ATOM 309 CG ASN A 21 -8.356 2.347 -12.545 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.015 3.411 -13.034 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.618 2.021 -12.279 1.00 0.00 N ATOM 0 H ASN A 21 -7.758 2.892 -10.263 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.145 0.020 -10.616 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.334 1.615 -12.387 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.506 0.383 -12.811 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.369 2.680 -12.485 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.834 1.112 -11.869 1.00 0.00 H new ATOM 318 N HIS A 22 -5.778 -0.794 -10.217 1.00 0.00 N ATOM 319 CA HIS A 22 -4.495 -1.326 -9.770 1.00 0.00 C ATOM 320 C HIS A 22 -3.411 -1.023 -10.821 1.00 0.00 C ATOM 321 O HIS A 22 -2.234 -0.918 -10.481 1.00 0.00 O ATOM 322 CB HIS A 22 -4.662 -2.818 -9.447 1.00 0.00 C ATOM 323 CG HIS A 22 -5.230 -3.160 -8.089 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.538 -3.330 -7.878 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.618 -3.357 -6.874 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.734 -3.623 -6.582 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.581 -3.652 -5.917 1.00 0.00 N ATOM 0 H HIS A 22 -6.429 -1.508 -10.543 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.160 -0.842 -8.852 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.307 -3.260 -10.206 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.687 -3.297 -9.538 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.268 -3.250 -8.585 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.555 -3.293 -6.692 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.700 -3.811 -6.138 1.00 0.00 H new ATOM 335 N SER A 23 -3.848 -0.892 -12.065 1.00 0.00 N ATOM 336 CA SER A 23 -2.930 -0.604 -13.154 1.00 0.00 C ATOM 337 C SER A 23 -2.392 0.822 -13.022 1.00 0.00 C ATOM 338 O SER A 23 -1.383 1.168 -13.634 1.00 0.00 O ATOM 339 CB SER A 23 -3.611 -0.791 -14.511 1.00 0.00 C ATOM 340 OG SER A 23 -4.098 0.440 -15.038 1.00 0.00 O ATOM 0 H SER A 23 -4.825 -0.980 -12.343 1.00 0.00 H new ATOM 0 HA SER A 23 -2.098 -1.306 -13.095 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.904 -1.232 -15.214 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.438 -1.494 -14.408 1.00 0.00 H new ATOM 0 HG SER A 23 -4.524 0.279 -15.906 1.00 0.00 H new ATOM 346 N THR A 24 -3.091 1.612 -12.219 1.00 0.00 N ATOM 347 CA THR A 24 -2.696 2.993 -11.999 1.00 0.00 C ATOM 348 C THR A 24 -1.975 3.134 -10.657 1.00 0.00 C ATOM 349 O THR A 24 -1.673 4.241 -10.217 1.00 0.00 O ATOM 350 CB THR A 24 -3.947 3.866 -12.112 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.917 3.187 -11.318 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.545 3.854 -13.520 1.00 0.00 C ATOM 0 H THR A 24 -3.928 1.322 -11.713 1.00 0.00 H new ATOM 0 HA THR A 24 -1.982 3.325 -12.752 1.00 0.00 H new ATOM 0 HB THR A 24 -3.701 4.890 -11.831 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.468 2.713 -10.587 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.430 4.489 -13.545 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.809 4.229 -14.231 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.822 2.835 -13.789 1.00 0.00 H new ATOM 360 N HIS A 25 -1.716 1.984 -10.033 1.00 0.00 N ATOM 361 CA HIS A 25 -1.036 1.919 -8.744 1.00 0.00 C ATOM 362 C HIS A 25 -0.272 0.587 -8.626 1.00 0.00 C ATOM 363 O HIS A 25 -0.315 -0.059 -7.580 1.00 0.00 O ATOM 364 CB HIS A 25 -2.062 2.160 -7.628 1.00 0.00 C ATOM 365 CG HIS A 25 -2.683 3.536 -7.561 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.741 3.885 -8.300 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.357 4.642 -6.814 1.00 0.00 C ATOM 368 CE1 HIS A 25 -4.061 5.159 -8.024 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.238 5.674 -7.113 1.00 0.00 N ATOM 0 H HIS A 25 -1.973 1.072 -10.410 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.283 2.701 -8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.864 1.430 -7.740 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.578 1.958 -6.672 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.544 4.700 -6.106 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.879 5.696 -8.481 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -3.251 6.616 -6.722 1.00 0.00 H new ATOM 377 N LYS A 26 0.404 0.223 -9.706 1.00 0.00 N ATOM 378 CA LYS A 26 1.169 -1.012 -9.729 1.00 0.00 C ATOM 379 C LYS A 26 2.589 -0.736 -9.231 1.00 0.00 C ATOM 380 O LYS A 26 3.024 0.414 -9.189 1.00 0.00 O ATOM 381 CB LYS A 26 1.118 -1.648 -11.119 1.00 0.00 C ATOM 382 CG LYS A 26 1.689 -0.701 -12.177 1.00 0.00 C ATOM 383 CD LYS A 26 2.463 -1.475 -13.246 1.00 0.00 C ATOM 384 CE LYS A 26 1.626 -1.643 -14.515 1.00 0.00 C ATOM 385 NZ LYS A 26 1.599 -0.381 -15.289 1.00 0.00 N ATOM 0 H LYS A 26 0.438 0.762 -10.571 1.00 0.00 H new ATOM 0 HA LYS A 26 0.730 -1.745 -9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.683 -2.580 -11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.088 -1.900 -11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.879 -0.141 -12.644 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.347 0.026 -11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.388 -0.949 -13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.744 -2.455 -12.859 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.040 -2.444 -15.128 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.610 -1.937 -14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.817 -0.411 -15.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.461 0.421 -14.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.500 -0.265 -15.796 1.00 0.00 H new ATOM 399 N SER A 27 3.273 -1.811 -8.865 1.00 0.00 N ATOM 400 CA SER A 27 4.635 -1.699 -8.372 1.00 0.00 C ATOM 401 C SER A 27 4.625 -1.407 -6.870 1.00 0.00 C ATOM 402 O SER A 27 5.342 -2.049 -6.104 1.00 0.00 O ATOM 403 CB SER A 27 5.404 -0.608 -9.119 1.00 0.00 C ATOM 404 OG SER A 27 5.360 0.641 -8.435 1.00 0.00 O ATOM 0 H SER A 27 2.909 -2.763 -8.900 1.00 0.00 H new ATOM 0 HA SER A 27 5.141 -2.648 -8.549 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.442 -0.917 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.985 -0.489 -10.118 1.00 0.00 H new ATOM 0 HG SER A 27 4.478 1.051 -8.558 1.00 0.00 H new ATOM 410 N VAL A 28 3.804 -0.437 -6.493 1.00 0.00 N ATOM 411 CA VAL A 28 3.691 -0.052 -5.097 1.00 0.00 C ATOM 412 C VAL A 28 3.441 -1.300 -4.247 1.00 0.00 C ATOM 413 O VAL A 28 2.591 -2.124 -4.582 1.00 0.00 O ATOM 414 CB VAL A 28 2.602 1.010 -4.933 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.200 1.161 -3.465 1.00 0.00 C ATOM 416 CG2 VAL A 28 3.052 2.351 -5.519 1.00 0.00 C ATOM 0 H VAL A 28 3.211 0.094 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 28 4.621 0.398 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 28 1.724 0.679 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.425 1.922 -3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.819 0.210 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.069 1.459 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.260 3.089 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.951 2.690 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.266 2.231 -6.581 1.00 0.00 H new ATOM 426 N LYS A 29 4.197 -1.399 -3.163 1.00 0.00 N ATOM 427 CA LYS A 29 4.068 -2.533 -2.263 1.00 0.00 C ATOM 428 C LYS A 29 2.605 -2.677 -1.838 1.00 0.00 C ATOM 429 O LYS A 29 2.020 -1.745 -1.289 1.00 0.00 O ATOM 430 CB LYS A 29 5.040 -2.397 -1.088 1.00 0.00 C ATOM 431 CG LYS A 29 5.686 -3.742 -0.753 1.00 0.00 C ATOM 432 CD LYS A 29 6.059 -3.817 0.729 1.00 0.00 C ATOM 433 CE LYS A 29 7.248 -2.906 1.041 1.00 0.00 C ATOM 434 NZ LYS A 29 8.135 -3.538 2.043 1.00 0.00 N ATOM 0 H LYS A 29 4.900 -0.713 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 29 4.345 -3.457 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.813 -1.669 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.510 -2.017 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.999 -4.551 -1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.578 -3.883 -1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.203 -3.526 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.304 -4.845 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.808 -2.703 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.891 -1.947 1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.937 -2.907 2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.602 -3.710 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.490 -4.442 1.671 1.00 0.00 H new ATOM 448 N CYS A 30 2.057 -3.852 -2.107 1.00 0.00 N ATOM 449 CA CYS A 30 0.674 -4.131 -1.759 1.00 0.00 C ATOM 450 C CYS A 30 0.479 -3.813 -0.275 1.00 0.00 C ATOM 451 O CYS A 30 -0.642 -3.571 0.169 1.00 0.00 O ATOM 452 CB CYS A 30 0.287 -5.574 -2.089 1.00 0.00 C ATOM 453 SG CYS A 30 1.002 -6.223 -3.644 1.00 0.00 S ATOM 0 H CYS A 30 2.546 -4.623 -2.562 1.00 0.00 H new ATOM 0 HA CYS A 30 0.013 -3.502 -2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.599 -6.217 -1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.799 -5.639 -2.150 1.00 0.00 H new ATOM 0 HG CYS A 30 0.611 -7.450 -3.822 1.00 0.00 H new ATOM 458 N GLY A 31 1.588 -3.824 0.450 1.00 0.00 N ATOM 459 CA GLY A 31 1.553 -3.540 1.875 1.00 0.00 C ATOM 460 C GLY A 31 1.336 -2.047 2.132 1.00 0.00 C ATOM 461 O GLY A 31 1.181 -1.627 3.277 1.00 0.00 O ATOM 0 H GLY A 31 2.516 -4.025 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.753 -4.113 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.487 -3.860 2.336 1.00 0.00 H new ATOM 465 N ASP A 32 1.332 -1.287 1.046 1.00 0.00 N ATOM 466 CA ASP A 32 1.137 0.149 1.139 1.00 0.00 C ATOM 467 C ASP A 32 -0.355 0.448 1.298 1.00 0.00 C ATOM 468 O ASP A 32 -0.733 1.390 1.992 1.00 0.00 O ATOM 469 CB ASP A 32 1.628 0.855 -0.126 1.00 0.00 C ATOM 470 CG ASP A 32 2.001 2.328 0.058 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.357 2.974 0.912 1.00 0.00 O ATOM 472 OD2 ASP A 32 2.921 2.774 -0.661 1.00 0.00 O ATOM 0 H ASP A 32 1.461 -1.639 0.098 1.00 0.00 H new ATOM 0 HA ASP A 32 1.704 0.511 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.498 0.321 -0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.851 0.785 -0.888 1.00 0.00 H new ATOM 477 N CYS A 33 -1.163 -0.373 0.643 1.00 0.00 N ATOM 478 CA CYS A 33 -2.605 -0.209 0.703 1.00 0.00 C ATOM 479 C CYS A 33 -3.181 -1.328 1.574 1.00 0.00 C ATOM 480 O CYS A 33 -4.050 -1.092 2.410 1.00 0.00 O ATOM 481 CB CYS A 33 -3.231 -0.194 -0.693 1.00 0.00 C ATOM 482 SG CYS A 33 -3.429 1.531 -1.271 1.00 0.00 S ATOM 0 H CYS A 33 -0.846 -1.154 0.068 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.845 0.757 1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.602 -0.749 -1.389 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.200 -0.693 -0.672 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.959 1.533 -2.458 1.00 0.00 H new ATOM 487 N HIS A 34 -2.667 -2.538 1.349 1.00 0.00 N ATOM 488 CA HIS A 34 -3.091 -3.726 2.081 1.00 0.00 C ATOM 489 C HIS A 34 -2.112 -4.001 3.237 1.00 0.00 C ATOM 490 O HIS A 34 -1.313 -4.933 3.170 1.00 0.00 O ATOM 491 CB HIS A 34 -3.244 -4.891 1.092 1.00 0.00 C ATOM 492 CG HIS A 34 -4.165 -4.666 -0.085 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.495 -4.622 0.040 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.900 -4.475 -1.420 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.037 -4.410 -1.169 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.096 -4.312 -2.107 1.00 0.00 N ATOM 0 H HIS A 34 -1.944 -2.719 0.653 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.066 -3.582 2.547 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.256 -5.143 0.707 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.602 -5.760 1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.916 -4.455 -1.865 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.097 -4.329 -1.357 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.225 -4.153 -3.106 1.00 0.00 H new ATOM 504 N HIS A 35 -2.207 -3.170 4.275 1.00 0.00 N ATOM 505 CA HIS A 35 -1.361 -3.281 5.458 1.00 0.00 C ATOM 506 C HIS A 35 -1.731 -4.551 6.246 1.00 0.00 C ATOM 507 O HIS A 35 -2.828 -5.091 6.123 1.00 0.00 O ATOM 508 CB HIS A 35 -1.467 -1.981 6.269 1.00 0.00 C ATOM 509 CG HIS A 35 -2.740 -1.774 7.058 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.105 -2.581 8.058 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.723 -0.819 6.957 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.271 -2.146 8.562 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.697 -1.061 7.918 1.00 0.00 N ATOM 0 H HIS A 35 -2.875 -2.400 4.317 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.311 -3.396 5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.627 -1.943 6.963 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.352 -1.142 5.583 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.583 -3.394 8.385 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.736 -0.008 6.243 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.795 -2.615 9.382 1.00 0.00 H new ATOM 521 N PRO A 36 -0.782 -5.013 7.064 1.00 0.00 N ATOM 522 CA PRO A 36 -0.924 -6.189 7.895 1.00 0.00 C ATOM 523 C PRO A 36 -1.980 -5.936 8.961 1.00 0.00 C ATOM 524 O PRO A 36 -1.894 -4.924 9.655 1.00 0.00 O ATOM 525 CB PRO A 36 0.452 -6.390 8.526 1.00 0.00 C ATOM 526 CG PRO A 36 1.413 -5.521 7.762 1.00 0.00 C ATOM 527 CD PRO A 36 0.518 -4.403 7.233 1.00 0.00 C ATOM 0 HA PRO A 36 -1.241 -7.069 7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.437 -6.115 9.581 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.752 -7.437 8.474 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.205 -5.135 8.403 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.896 -6.068 6.953 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.474 -3.568 7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.895 -4.009 6.289 1.00 0.00 H new ATOM 535 N VAL A 37 -2.942 -6.841 9.071 1.00 0.00 N ATOM 536 CA VAL A 37 -4.000 -6.693 10.056 1.00 0.00 C ATOM 537 C VAL A 37 -4.120 -7.985 10.867 1.00 0.00 C ATOM 538 O VAL A 37 -4.530 -9.017 10.340 1.00 0.00 O ATOM 539 CB VAL A 37 -5.307 -6.298 9.365 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.299 -5.705 10.366 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.045 -5.327 8.211 1.00 0.00 C ATOM 0 H VAL A 37 -3.011 -7.679 8.494 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.762 -5.891 10.755 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.752 -7.202 8.948 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.219 -5.433 9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.521 -6.442 11.138 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.865 -4.817 10.826 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.990 -5.062 7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.567 -4.426 8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.392 -5.801 7.478 1.00 0.00 H new ATOM 551 N ASN A 38 -3.754 -7.884 12.137 1.00 0.00 N ATOM 552 CA ASN A 38 -3.815 -9.032 13.026 1.00 0.00 C ATOM 553 C ASN A 38 -2.729 -10.035 12.632 1.00 0.00 C ATOM 554 O ASN A 38 -2.952 -11.244 12.673 1.00 0.00 O ATOM 555 CB ASN A 38 -5.169 -9.736 12.924 1.00 0.00 C ATOM 556 CG ASN A 38 -5.781 -9.951 14.310 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.228 -11.031 14.658 1.00 0.00 O ATOM 558 ND2 ASN A 38 -5.776 -8.866 15.078 1.00 0.00 N ATOM 0 H ASN A 38 -3.415 -7.026 12.571 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.670 -8.677 14.046 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.847 -9.141 12.311 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.047 -10.697 12.424 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.162 -8.907 16.021 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.386 -7.993 14.724 1.00 0.00 H new ATOM 565 N GLY A 39 -1.577 -9.496 12.260 1.00 0.00 N ATOM 566 CA GLY A 39 -0.456 -10.330 11.860 1.00 0.00 C ATOM 567 C GLY A 39 -0.842 -11.246 10.697 1.00 0.00 C ATOM 568 O GLY A 39 -0.643 -12.458 10.765 1.00 0.00 O ATOM 0 H GLY A 39 -1.396 -8.493 12.227 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.384 -9.700 11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.125 -10.931 12.707 1.00 0.00 H new ATOM 572 N LYS A 40 -1.388 -10.632 9.657 1.00 0.00 N ATOM 573 CA LYS A 40 -1.804 -11.378 8.481 1.00 0.00 C ATOM 574 C LYS A 40 -2.353 -10.406 7.435 1.00 0.00 C ATOM 575 O LYS A 40 -3.472 -9.912 7.568 1.00 0.00 O ATOM 576 CB LYS A 40 -2.786 -12.485 8.869 1.00 0.00 C ATOM 577 CG LYS A 40 -3.603 -12.942 7.658 1.00 0.00 C ATOM 578 CD LYS A 40 -4.740 -13.872 8.084 1.00 0.00 C ATOM 579 CE LYS A 40 -6.082 -13.383 7.536 1.00 0.00 C ATOM 580 NZ LYS A 40 -6.063 -13.366 6.056 1.00 0.00 N ATOM 0 H LYS A 40 -1.552 -9.627 9.604 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.952 -11.885 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.240 -13.332 9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.456 -12.125 9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.013 -12.073 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.954 -13.456 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.543 -14.882 7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.784 -13.924 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.883 -14.033 7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.293 -12.383 7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.039 -13.384 5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.588 -12.502 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.549 -14.200 5.706 1.00 0.00 H new ATOM 594 N GLU A 41 -1.541 -10.162 6.417 1.00 0.00 N ATOM 595 CA GLU A 41 -1.932 -9.258 5.349 1.00 0.00 C ATOM 596 C GLU A 41 -3.443 -9.330 5.119 1.00 0.00 C ATOM 597 O GLU A 41 -3.995 -10.413 4.932 1.00 0.00 O ATOM 598 CB GLU A 41 -1.166 -9.568 4.061 1.00 0.00 C ATOM 599 CG GLU A 41 0.141 -8.774 3.996 1.00 0.00 C ATOM 600 CD GLU A 41 1.097 -9.376 2.964 1.00 0.00 C ATOM 601 OE1 GLU A 41 0.606 -9.715 1.865 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.297 -9.483 3.296 1.00 0.00 O ATOM 0 H GLU A 41 -0.614 -10.574 6.309 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.678 -8.241 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.950 -10.635 4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.786 -9.326 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.072 -7.737 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.616 -8.768 4.977 1.00 0.00 H new ATOM 609 N ASP A 42 -4.068 -8.162 5.139 1.00 0.00 N ATOM 610 CA ASP A 42 -5.504 -8.079 4.935 1.00 0.00 C ATOM 611 C ASP A 42 -5.786 -7.396 3.595 1.00 0.00 C ATOM 612 O ASP A 42 -5.207 -6.369 3.251 1.00 0.00 O ATOM 613 CB ASP A 42 -6.170 -7.251 6.036 1.00 0.00 C ATOM 614 CG ASP A 42 -7.700 -7.238 6.001 1.00 0.00 C ATOM 615 OD1 ASP A 42 -8.242 -6.466 5.181 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.292 -8.001 6.794 1.00 0.00 O ATOM 0 H ASP A 42 -3.606 -7.266 5.293 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.906 -9.092 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.847 -7.635 7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.811 -6.224 5.965 1.00 0.00 H new ATOM 621 N TYR A 43 -6.703 -8.001 2.836 1.00 0.00 N ATOM 622 CA TYR A 43 -7.082 -7.481 1.538 1.00 0.00 C ATOM 623 C TYR A 43 -8.594 -7.322 1.466 1.00 0.00 C ATOM 624 O TYR A 43 -9.128 -7.204 0.364 1.00 0.00 O ATOM 625 CB TYR A 43 -6.586 -8.427 0.448 1.00 0.00 C ATOM 626 CG TYR A 43 -5.131 -8.228 0.093 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.145 -8.375 1.076 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.770 -7.897 -1.218 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.796 -8.190 0.747 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.422 -7.712 -1.547 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.435 -7.858 -0.565 1.00 0.00 C ATOM 632 OH TYR A 43 -1.122 -7.678 -0.886 1.00 0.00 O ATOM 0 H TYR A 43 -7.193 -8.854 3.107 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.627 -6.502 1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.734 -9.456 0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.192 -8.287 -0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.424 -8.631 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.531 -7.784 -1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.035 -8.303 1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.143 -7.457 -2.559 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.905 -8.206 -1.683 1.00 0.00 H new ATOM 642 N ARG A 44 -9.245 -7.321 2.620 1.00 0.00 N ATOM 643 CA ARG A 44 -10.691 -7.175 2.663 1.00 0.00 C ATOM 644 C ARG A 44 -11.075 -5.694 2.659 1.00 0.00 C ATOM 645 O ARG A 44 -10.210 -4.824 2.761 1.00 0.00 O ATOM 646 CB ARG A 44 -11.275 -7.843 3.909 1.00 0.00 C ATOM 647 CG ARG A 44 -10.394 -9.006 4.371 1.00 0.00 C ATOM 648 CD ARG A 44 -11.158 -9.927 5.324 1.00 0.00 C ATOM 649 NE ARG A 44 -10.213 -10.609 6.236 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.553 -11.109 7.443 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.821 -11.008 7.893 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.627 -11.699 8.175 1.00 0.00 N ATOM 0 H ARG A 44 -8.799 -7.419 3.532 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.100 -7.662 1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.366 -7.110 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.280 -8.206 3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.053 -9.574 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.505 -8.618 4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.880 -9.349 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.723 -10.665 4.755 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.244 -10.707 5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.531 -10.551 7.320 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.070 -11.388 8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.671 -11.772 7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.867 -12.082 9.089 1.00 0.00 H new ATOM 665 N LYS A 45 -12.372 -5.452 2.543 1.00 0.00 N ATOM 666 CA LYS A 45 -12.881 -4.091 2.525 1.00 0.00 C ATOM 667 C LYS A 45 -12.129 -3.257 3.564 1.00 0.00 C ATOM 668 O LYS A 45 -12.104 -3.603 4.744 1.00 0.00 O ATOM 669 CB LYS A 45 -14.399 -4.084 2.714 1.00 0.00 C ATOM 670 CG LYS A 45 -15.067 -5.135 1.824 1.00 0.00 C ATOM 671 CD LYS A 45 -16.414 -4.634 1.301 1.00 0.00 C ATOM 672 CE LYS A 45 -17.473 -5.736 1.369 1.00 0.00 C ATOM 673 NZ LYS A 45 -17.129 -6.843 0.448 1.00 0.00 N ATOM 0 H LYS A 45 -13.086 -6.176 2.460 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.702 -3.630 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.640 -4.281 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.794 -3.096 2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.414 -5.375 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.212 -6.056 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.739 -3.775 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.304 -4.293 0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.548 -6.114 2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.449 -5.327 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.891 -7.551 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.013 -6.470 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.241 -7.288 0.756 1.00 0.00 H new ATOM 687 N CYS A 46 -11.534 -2.173 3.088 1.00 0.00 N ATOM 688 CA CYS A 46 -10.783 -1.286 3.960 1.00 0.00 C ATOM 689 C CYS A 46 -11.579 -1.097 5.253 1.00 0.00 C ATOM 690 O CYS A 46 -11.013 -1.126 6.345 1.00 0.00 O ATOM 691 CB CYS A 46 -10.474 0.049 3.280 1.00 0.00 C ATOM 692 SG CYS A 46 -9.067 0.008 2.111 1.00 0.00 S ATOM 0 H CYS A 46 -11.557 -1.889 2.109 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.816 -1.733 4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.363 0.382 2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.267 0.793 4.049 1.00 0.00 H new ATOM 0 HG CYS A 46 -8.898 1.189 1.594 1.00 0.00 H new ATOM 697 N GLY A 47 -12.880 -0.909 5.087 1.00 0.00 N ATOM 698 CA GLY A 47 -13.760 -0.715 6.228 1.00 0.00 C ATOM 699 C GLY A 47 -14.153 -2.056 6.851 1.00 0.00 C ATOM 700 O GLY A 47 -13.434 -2.586 7.696 1.00 0.00 O ATOM 0 H GLY A 47 -13.346 -0.887 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.263 -0.095 6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.656 -0.179 5.914 1.00 0.00 H new ATOM 704 N THR A 48 -15.293 -2.567 6.408 1.00 0.00 N ATOM 705 CA THR A 48 -15.790 -3.836 6.911 1.00 0.00 C ATOM 706 C THR A 48 -15.917 -3.792 8.435 1.00 0.00 C ATOM 707 O THR A 48 -15.177 -3.071 9.103 1.00 0.00 O ATOM 708 CB THR A 48 -14.858 -4.941 6.411 1.00 0.00 C ATOM 709 OG1 THR A 48 -15.685 -5.738 5.568 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.431 -5.897 7.526 1.00 0.00 C ATOM 0 H THR A 48 -15.886 -2.125 5.706 1.00 0.00 H new ATOM 0 HA THR A 48 -16.793 -4.044 6.538 1.00 0.00 H new ATOM 0 HB THR A 48 -13.973 -4.492 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.159 -6.478 5.199 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.771 -6.662 7.117 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.905 -5.340 8.301 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.313 -6.372 7.956 1.00 0.00 H new ATOM 718 N ALA A 49 -16.860 -4.573 8.941 1.00 0.00 N ATOM 719 CA ALA A 49 -17.093 -4.632 10.374 1.00 0.00 C ATOM 720 C ALA A 49 -15.895 -5.298 11.054 1.00 0.00 C ATOM 721 O ALA A 49 -15.531 -6.423 10.716 1.00 0.00 O ATOM 722 CB ALA A 49 -18.404 -5.372 10.648 1.00 0.00 C ATOM 0 H ALA A 49 -17.472 -5.170 8.384 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.192 -3.629 10.788 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.579 -5.416 11.723 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.227 -4.843 10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.341 -6.384 10.249 1.00 0.00 H new ATOM 728 N GLY A 50 -15.316 -4.575 12.001 1.00 0.00 N ATOM 729 CA GLY A 50 -14.166 -5.081 12.732 1.00 0.00 C ATOM 730 C GLY A 50 -12.940 -4.194 12.507 1.00 0.00 C ATOM 731 O GLY A 50 -11.916 -4.366 13.168 1.00 0.00 O ATOM 0 H GLY A 50 -15.622 -3.642 12.279 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.397 -5.125 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.946 -6.099 12.412 1.00 0.00 H new ATOM 735 N CYS A 51 -13.083 -3.266 11.573 1.00 0.00 N ATOM 736 CA CYS A 51 -12.000 -2.352 11.253 1.00 0.00 C ATOM 737 C CYS A 51 -12.583 -0.945 11.117 1.00 0.00 C ATOM 738 O CYS A 51 -13.454 -0.545 11.887 1.00 0.00 O ATOM 739 CB CYS A 51 -11.249 -2.784 9.992 1.00 0.00 C ATOM 740 SG CYS A 51 -11.037 -4.602 9.981 1.00 0.00 S ATOM 0 H CYS A 51 -13.933 -3.127 11.027 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.263 -2.362 12.056 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.799 -2.468 9.105 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.275 -2.296 9.954 1.00 0.00 H new ATOM 0 HG CYS A 51 -10.400 -4.958 8.905 1.00 0.00 H new ATOM 745 N HIS A 52 -12.076 -0.219 10.120 1.00 0.00 N ATOM 746 CA HIS A 52 -12.509 1.145 9.834 1.00 0.00 C ATOM 747 C HIS A 52 -14.016 1.158 9.519 1.00 0.00 C ATOM 748 O HIS A 52 -14.403 1.171 8.351 1.00 0.00 O ATOM 749 CB HIS A 52 -11.625 1.723 8.719 1.00 0.00 C ATOM 750 CG HIS A 52 -10.131 1.553 8.878 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.400 2.335 9.678 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.255 0.660 8.310 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.117 1.944 9.611 1.00 0.00 C ATOM 754 NE2 HIS A 52 -7.972 0.913 8.780 1.00 0.00 N ATOM 0 H HIS A 52 -11.353 -0.563 9.488 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.383 1.794 10.701 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.921 1.262 7.777 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.839 2.788 8.634 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.758 3.103 10.246 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.522 -0.117 7.608 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.309 2.405 10.159 1.00 0.00 H new ATOM 762 N ASP A 53 -14.816 1.155 10.575 1.00 0.00 N ATOM 763 CA ASP A 53 -16.260 1.168 10.419 1.00 0.00 C ATOM 764 C ASP A 53 -16.819 2.471 10.993 1.00 0.00 C ATOM 765 O ASP A 53 -17.963 2.516 11.442 1.00 0.00 O ATOM 766 CB ASP A 53 -16.906 0.004 11.174 1.00 0.00 C ATOM 767 CG ASP A 53 -18.424 -0.101 11.024 1.00 0.00 C ATOM 768 OD1 ASP A 53 -18.953 0.574 10.115 1.00 0.00 O ATOM 769 OD2 ASP A 53 -19.023 -0.854 11.822 1.00 0.00 O ATOM 0 H ASP A 53 -14.491 1.144 11.542 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.485 1.078 9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.457 -0.927 10.829 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.666 0.100 12.233 1.00 0.00 H new ATOM 774 N SER A 54 -15.986 3.501 10.960 1.00 0.00 N ATOM 775 CA SER A 54 -16.382 4.802 11.471 1.00 0.00 C ATOM 776 C SER A 54 -16.643 5.763 10.309 1.00 0.00 C ATOM 777 O SER A 54 -15.740 6.059 9.529 1.00 0.00 O ATOM 778 CB SER A 54 -15.314 5.375 12.405 1.00 0.00 C ATOM 779 OG SER A 54 -15.559 6.744 12.718 1.00 0.00 O ATOM 0 H SER A 54 -15.038 3.461 10.587 1.00 0.00 H new ATOM 0 HA SER A 54 -17.300 4.679 12.046 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.286 4.792 13.325 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.334 5.279 11.937 1.00 0.00 H new ATOM 0 HG SER A 54 -14.857 7.073 13.317 1.00 0.00 H new ATOM 785 N MET A 55 -17.883 6.223 10.231 1.00 0.00 N ATOM 786 CA MET A 55 -18.275 7.144 9.178 1.00 0.00 C ATOM 787 C MET A 55 -19.036 8.341 9.752 1.00 0.00 C ATOM 788 O MET A 55 -20.180 8.593 9.375 1.00 0.00 O ATOM 789 CB MET A 55 -19.159 6.415 8.164 1.00 0.00 C ATOM 790 CG MET A 55 -18.526 5.088 7.740 1.00 0.00 C ATOM 791 SD MET A 55 -18.282 5.066 5.972 1.00 0.00 S ATOM 792 CE MET A 55 -18.055 3.315 5.712 1.00 0.00 C ATOM 0 H MET A 55 -18.630 5.975 10.880 1.00 0.00 H new ATOM 0 HA MET A 55 -17.373 7.511 8.688 1.00 0.00 H new ATOM 0 HB2 MET A 55 -20.142 6.231 8.599 1.00 0.00 H new ATOM 0 HB3 MET A 55 -19.311 7.046 7.288 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.572 4.952 8.249 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.167 4.258 8.037 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.889 3.123 4.652 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.192 2.971 6.282 1.00 0.00 H new ATOM 0 HE3 MET A 55 -18.945 2.780 6.043 1.00 0.00 H new ATOM 802 N ASP A 56 -18.371 9.047 10.655 1.00 0.00 N ATOM 803 CA ASP A 56 -18.971 10.212 11.284 1.00 0.00 C ATOM 804 C ASP A 56 -18.087 11.435 11.031 1.00 0.00 C ATOM 805 O ASP A 56 -17.180 11.389 10.201 1.00 0.00 O ATOM 806 CB ASP A 56 -19.090 10.020 12.797 1.00 0.00 C ATOM 807 CG ASP A 56 -20.285 10.720 13.446 1.00 0.00 C ATOM 808 OD1 ASP A 56 -21.016 11.406 12.698 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.442 10.555 14.675 1.00 0.00 O ATOM 0 H ASP A 56 -17.423 8.835 10.966 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.965 10.351 10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.155 8.953 13.009 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.176 10.383 13.267 1.00 0.00 H new ATOM 814 N LYS A 57 -18.382 12.500 11.762 1.00 0.00 N ATOM 815 CA LYS A 57 -17.626 13.733 11.627 1.00 0.00 C ATOM 816 C LYS A 57 -17.206 14.223 13.014 1.00 0.00 C ATOM 817 O LYS A 57 -17.940 14.968 13.661 1.00 0.00 O ATOM 818 CB LYS A 57 -18.422 14.765 10.825 1.00 0.00 C ATOM 819 CG LYS A 57 -17.532 15.467 9.798 1.00 0.00 C ATOM 820 CD LYS A 57 -16.131 15.711 10.362 1.00 0.00 C ATOM 821 CE LYS A 57 -15.531 17.002 9.802 1.00 0.00 C ATOM 822 NZ LYS A 57 -14.222 17.282 10.431 1.00 0.00 N ATOM 0 H LYS A 57 -19.134 12.534 12.450 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.712 13.559 11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -19.252 14.274 10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.854 15.502 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.464 14.860 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.982 16.417 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.178 15.770 11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.484 14.869 10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.411 16.915 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.212 17.834 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.830 18.162 10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.346 17.386 11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.569 16.496 10.239 1.00 0.00 H new ATOM 836 N LYS A 58 -16.027 13.784 13.429 1.00 0.00 N ATOM 837 CA LYS A 58 -15.500 14.169 14.727 1.00 0.00 C ATOM 838 C LYS A 58 -14.291 13.293 15.063 1.00 0.00 C ATOM 839 O LYS A 58 -13.163 13.779 15.116 1.00 0.00 O ATOM 840 CB LYS A 58 -16.603 14.127 15.787 1.00 0.00 C ATOM 841 CG LYS A 58 -16.944 15.534 16.281 1.00 0.00 C ATOM 842 CD LYS A 58 -17.638 15.484 17.643 1.00 0.00 C ATOM 843 CE LYS A 58 -16.643 15.742 18.776 1.00 0.00 C ATOM 844 NZ LYS A 58 -16.499 14.537 19.623 1.00 0.00 N ATOM 0 H LYS A 58 -15.422 13.165 12.889 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.150 15.201 14.705 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.495 13.658 15.371 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.282 13.511 16.627 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.033 16.128 16.355 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.591 16.030 15.557 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.434 16.228 17.677 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.106 14.510 17.781 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.674 16.020 18.361 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.983 16.582 19.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.820 14.729 20.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.422 14.289 20.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.154 13.745 19.044 1.00 0.00 H new ATOM 858 N ASP A 59 -14.569 12.015 15.280 1.00 0.00 N ATOM 859 CA ASP A 59 -13.519 11.067 15.608 1.00 0.00 C ATOM 860 C ASP A 59 -12.540 10.970 14.436 1.00 0.00 C ATOM 861 O ASP A 59 -12.950 10.769 13.295 1.00 0.00 O ATOM 862 CB ASP A 59 -14.095 9.672 15.859 1.00 0.00 C ATOM 863 CG ASP A 59 -13.078 8.530 15.791 1.00 0.00 C ATOM 864 OD1 ASP A 59 -12.733 8.145 14.653 1.00 0.00 O ATOM 865 OD2 ASP A 59 -12.670 8.068 16.878 1.00 0.00 O ATOM 0 H ASP A 59 -15.506 11.615 15.235 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.018 11.418 16.510 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.566 9.661 16.842 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.881 9.483 15.127 1.00 0.00 H new ATOM 870 N LYS A 60 -11.263 11.118 14.759 1.00 0.00 N ATOM 871 CA LYS A 60 -10.222 11.050 13.748 1.00 0.00 C ATOM 872 C LYS A 60 -9.238 9.936 14.109 1.00 0.00 C ATOM 873 O LYS A 60 -8.059 10.009 13.766 1.00 0.00 O ATOM 874 CB LYS A 60 -9.562 12.418 13.565 1.00 0.00 C ATOM 875 CG LYS A 60 -10.597 13.481 13.189 1.00 0.00 C ATOM 876 CD LYS A 60 -9.916 14.773 12.735 1.00 0.00 C ATOM 877 CE LYS A 60 -10.329 15.951 13.621 1.00 0.00 C ATOM 878 NZ LYS A 60 -11.793 16.157 13.559 1.00 0.00 N ATOM 0 H LYS A 60 -10.926 11.285 15.707 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.650 10.796 12.778 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.056 12.708 14.486 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.800 12.357 12.788 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.238 13.104 12.392 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.240 13.686 14.045 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.834 14.649 12.769 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.180 14.983 11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.025 15.763 14.651 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.814 16.856 13.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.018 17.134 13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.127 15.987 12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.264 15.495 14.208 1.00 0.00 H new ATOM 892 N SER A 61 -9.759 8.929 14.795 1.00 0.00 N ATOM 893 CA SER A 61 -8.941 7.801 15.207 1.00 0.00 C ATOM 894 C SER A 61 -8.689 6.875 14.016 1.00 0.00 C ATOM 895 O SER A 61 -9.251 7.075 12.940 1.00 0.00 O ATOM 896 CB SER A 61 -9.603 7.029 16.350 1.00 0.00 C ATOM 897 OG SER A 61 -8.697 6.782 17.422 1.00 0.00 O ATOM 0 H SER A 61 -10.738 8.871 15.076 1.00 0.00 H new ATOM 0 HA SER A 61 -7.987 8.184 15.569 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.459 7.593 16.721 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.986 6.081 15.973 1.00 0.00 H new ATOM 0 HG SER A 61 -9.158 6.289 18.133 1.00 0.00 H new ATOM 903 N ALA A 62 -7.844 5.881 14.248 1.00 0.00 N ATOM 904 CA ALA A 62 -7.512 4.923 13.207 1.00 0.00 C ATOM 905 C ALA A 62 -8.799 4.308 12.656 1.00 0.00 C ATOM 906 O ALA A 62 -8.857 3.920 11.490 1.00 0.00 O ATOM 907 CB ALA A 62 -6.556 3.869 13.770 1.00 0.00 C ATOM 0 H ALA A 62 -7.379 5.718 15.141 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.003 5.417 12.379 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.307 3.150 12.990 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.645 4.354 14.121 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.034 3.351 14.601 1.00 0.00 H new ATOM 913 N LYS A 63 -9.801 4.238 13.520 1.00 0.00 N ATOM 914 CA LYS A 63 -11.084 3.676 13.134 1.00 0.00 C ATOM 915 C LYS A 63 -11.710 4.545 12.042 1.00 0.00 C ATOM 916 O LYS A 63 -12.591 4.094 11.312 1.00 0.00 O ATOM 917 CB LYS A 63 -11.979 3.492 14.362 1.00 0.00 C ATOM 918 CG LYS A 63 -11.753 2.122 15.005 1.00 0.00 C ATOM 919 CD LYS A 63 -12.757 1.095 14.475 1.00 0.00 C ATOM 920 CE LYS A 63 -12.179 -0.320 14.541 1.00 0.00 C ATOM 921 NZ LYS A 63 -13.174 -1.261 15.102 1.00 0.00 N ATOM 0 H LYS A 63 -9.750 4.561 14.486 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.952 2.680 12.712 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.771 4.277 15.089 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.025 3.594 14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.738 1.783 14.799 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.849 2.204 16.088 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.676 1.144 15.059 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.021 1.337 13.445 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.884 -0.646 13.543 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.279 -0.323 15.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.765 -2.217 15.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.436 -0.958 16.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.021 -1.270 14.499 1.00 0.00 H new ATOM 935 N GLY A 64 -11.229 5.778 11.964 1.00 0.00 N ATOM 936 CA GLY A 64 -11.730 6.715 10.973 1.00 0.00 C ATOM 937 C GLY A 64 -11.496 6.190 9.554 1.00 0.00 C ATOM 938 O GLY A 64 -10.370 5.967 9.118 1.00 0.00 O ATOM 0 H GLY A 64 -10.498 6.149 12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.795 6.882 11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.234 7.678 11.095 1.00 0.00 H new ATOM 942 N TYR A 65 -12.604 5.995 8.836 1.00 0.00 N ATOM 943 CA TYR A 65 -12.554 5.499 7.475 1.00 0.00 C ATOM 944 C TYR A 65 -11.938 6.552 6.565 1.00 0.00 C ATOM 945 O TYR A 65 -11.034 6.253 5.788 1.00 0.00 O ATOM 946 CB TYR A 65 -13.964 5.143 7.013 1.00 0.00 C ATOM 947 CG TYR A 65 -13.993 4.328 5.741 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.962 3.422 5.467 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.052 4.479 4.838 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.989 2.667 4.288 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.079 3.724 3.659 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.048 2.818 3.385 1.00 0.00 C ATOM 953 OH TYR A 65 -14.075 2.081 2.237 1.00 0.00 O ATOM 0 H TYR A 65 -13.546 6.176 9.183 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.934 4.603 7.432 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.467 4.586 7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.530 6.062 6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.146 3.305 6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.848 5.177 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.193 1.969 4.075 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.895 3.841 2.961 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.878 2.306 1.723 1.00 0.00 H new ATOM 963 N TYR A 66 -12.429 7.789 6.663 1.00 0.00 N ATOM 964 CA TYR A 66 -11.927 8.877 5.849 1.00 0.00 C ATOM 965 C TYR A 66 -10.611 9.385 6.422 1.00 0.00 C ATOM 966 O TYR A 66 -10.009 10.278 5.827 1.00 0.00 O ATOM 967 CB TYR A 66 -12.963 9.996 5.801 1.00 0.00 C ATOM 968 CG TYR A 66 -12.364 11.364 5.584 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.647 11.986 6.614 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.524 12.012 4.353 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.092 13.255 6.413 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.969 13.281 4.153 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.252 13.903 5.183 1.00 0.00 C ATOM 974 OH TYR A 66 -10.712 15.140 4.987 1.00 0.00 O ATOM 0 H TYR A 66 -13.177 8.054 7.304 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.746 8.523 4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.673 9.788 5.001 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.526 9.999 6.734 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.522 11.486 7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.076 11.532 3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.540 13.735 7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.094 13.781 3.204 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.915 15.445 4.078 1.00 0.00 H new ATOM 984 N HIS A 67 -10.195 8.819 7.545 1.00 0.00 N ATOM 985 CA HIS A 67 -8.952 9.231 8.175 1.00 0.00 C ATOM 986 C HIS A 67 -7.829 8.276 7.766 1.00 0.00 C ATOM 987 O HIS A 67 -6.656 8.549 8.014 1.00 0.00 O ATOM 988 CB HIS A 67 -9.120 9.334 9.692 1.00 0.00 C ATOM 989 CG HIS A 67 -7.834 9.160 10.465 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.987 10.214 10.759 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.261 8.045 11.002 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.954 9.743 11.442 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.125 8.398 11.590 1.00 0.00 N ATOM 0 H HIS A 67 -10.697 8.078 8.035 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.678 10.228 7.830 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.549 10.306 9.935 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.834 8.579 10.020 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.133 11.188 10.495 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.664 7.044 10.956 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.123 10.322 11.816 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.229 7.175 7.146 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.271 6.177 6.700 1.00 0.00 C ATOM 1003 C VAL A 68 -7.154 6.234 5.176 1.00 0.00 C ATOM 1004 O VAL A 68 -6.650 5.301 4.553 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.675 4.796 7.218 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.552 4.723 8.741 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.090 4.432 6.764 1.00 0.00 C ATOM 0 H VAL A 68 -9.203 6.952 6.942 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.283 6.386 7.109 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.988 4.065 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.845 3.730 9.083 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.520 4.917 9.032 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.203 5.470 9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.352 3.445 7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.796 5.169 7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.131 4.422 5.675 1.00 0.00 H new ATOM 1017 N MET A 69 -7.628 7.339 4.618 1.00 0.00 N ATOM 1018 CA MET A 69 -7.584 7.529 3.179 1.00 0.00 C ATOM 1019 C MET A 69 -7.559 9.017 2.823 1.00 0.00 C ATOM 1020 O MET A 69 -8.068 9.425 1.781 1.00 0.00 O ATOM 1021 CB MET A 69 -8.807 6.871 2.538 1.00 0.00 C ATOM 1022 CG MET A 69 -9.847 6.499 3.598 1.00 0.00 C ATOM 1023 SD MET A 69 -11.069 5.404 2.896 1.00 0.00 S ATOM 1024 CE MET A 69 -10.436 3.832 3.455 1.00 0.00 C ATOM 0 H MET A 69 -8.044 8.112 5.138 1.00 0.00 H new ATOM 0 HA MET A 69 -6.672 7.068 2.799 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.251 7.551 1.810 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.501 5.977 1.994 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.359 6.017 4.445 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.329 7.400 3.978 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.804 3.039 2.804 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.346 3.848 3.427 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.770 3.648 4.476 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.956 9.801 3.717 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.834 11.245 3.551 1.00 0.00 C ATOM 1036 C HIS A 70 -5.588 11.752 4.299 1.00 0.00 C ATOM 1037 O HIS A 70 -4.580 12.077 3.672 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.148 11.908 3.990 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.355 11.674 3.111 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.240 10.701 3.347 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.793 12.325 1.982 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.193 10.744 2.402 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.965 11.728 1.534 1.00 0.00 N ATOM 0 H HIS A 70 -6.538 9.449 4.578 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.681 11.515 2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.386 11.558 4.995 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.980 12.983 4.058 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.198 10.035 4.118 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.303 13.168 1.517 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.034 10.069 2.352 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.699 11.801 5.618 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.597 12.260 6.446 1.00 0.00 C ATOM 1053 C ASP A 71 -3.333 11.477 6.085 1.00 0.00 C ATOM 1054 O ASP A 71 -3.413 10.331 5.644 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.888 12.028 7.930 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.750 13.104 8.595 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -5.464 14.295 8.345 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -6.675 12.710 9.338 1.00 0.00 O ATOM 0 H ASP A 71 -6.536 11.530 6.134 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.463 13.327 6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.386 11.065 8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.941 11.961 8.465 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.195 12.126 6.284 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.917 11.504 5.985 1.00 0.00 C ATOM 1065 C LYS A 72 -0.144 11.285 7.287 1.00 0.00 C ATOM 1066 O LYS A 72 0.842 10.551 7.312 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.151 12.327 4.946 1.00 0.00 C ATOM 1068 CG LYS A 72 0.557 13.515 5.601 1.00 0.00 C ATOM 1069 CD LYS A 72 0.179 14.827 4.911 1.00 0.00 C ATOM 1070 CE LYS A 72 1.337 15.826 4.961 1.00 0.00 C ATOM 1071 NZ LYS A 72 0.825 17.214 4.958 1.00 0.00 N ATOM 0 H LYS A 72 -2.132 13.076 6.649 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.067 10.523 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.581 11.695 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.840 12.686 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.290 13.565 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.636 13.372 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.093 14.631 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.698 15.257 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.934 15.655 5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.994 15.673 4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.624 17.879 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.274 17.379 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.216 17.361 5.788 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.621 11.936 8.338 1.00 0.00 N ATOM 1086 CA ASN A 73 0.013 11.822 9.640 1.00 0.00 C ATOM 1087 C ASN A 73 -0.199 10.407 10.183 1.00 0.00 C ATOM 1088 O ASN A 73 0.460 10.000 11.138 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.598 12.807 10.639 1.00 0.00 C ATOM 1090 CG ASN A 73 0.407 13.897 11.018 1.00 0.00 C ATOM 1091 OD1 ASN A 73 0.373 15.010 10.519 1.00 0.00 O ATOM 1092 ND2 ASN A 73 1.301 13.517 11.926 1.00 0.00 N ATOM 0 H ASN A 73 -1.439 12.544 8.314 1.00 0.00 H new ATOM 0 HA ASN A 73 1.074 12.042 9.519 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.489 13.263 10.207 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.915 12.273 11.534 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.014 14.173 12.245 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.274 12.570 12.304 1.00 0.00 H new ATOM 1099 N THR A 74 -1.121 9.697 9.551 1.00 0.00 N ATOM 1100 CA THR A 74 -1.428 8.336 9.958 1.00 0.00 C ATOM 1101 C THR A 74 -0.157 7.484 9.971 1.00 0.00 C ATOM 1102 O THR A 74 0.868 7.884 9.421 1.00 0.00 O ATOM 1103 CB THR A 74 -2.512 7.796 9.023 1.00 0.00 C ATOM 1104 OG1 THR A 74 -2.019 8.082 7.717 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.814 8.594 9.113 1.00 0.00 C ATOM 0 H THR A 74 -1.666 10.038 8.759 1.00 0.00 H new ATOM 0 HA THR A 74 -1.813 8.305 10.977 1.00 0.00 H new ATOM 0 HB THR A 74 -2.710 6.751 9.263 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.709 7.253 7.296 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.549 8.169 8.430 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.198 8.550 10.132 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.624 9.632 8.841 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.266 6.326 10.605 1.00 0.00 N ATOM 1114 CA LYS A 75 0.862 5.414 10.697 1.00 0.00 C ATOM 1115 C LYS A 75 1.225 4.917 9.297 1.00 0.00 C ATOM 1116 O LYS A 75 2.403 4.770 8.972 1.00 0.00 O ATOM 1117 CB LYS A 75 0.562 4.290 11.691 1.00 0.00 C ATOM 1118 CG LYS A 75 1.835 3.520 12.047 1.00 0.00 C ATOM 1119 CD LYS A 75 1.500 2.136 12.608 1.00 0.00 C ATOM 1120 CE LYS A 75 2.770 1.311 12.828 1.00 0.00 C ATOM 1121 NZ LYS A 75 3.361 1.612 14.151 1.00 0.00 N ATOM 0 H LYS A 75 -1.118 5.998 11.060 1.00 0.00 H new ATOM 0 HA LYS A 75 1.739 5.929 11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.120 4.708 12.596 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.173 3.608 11.263 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.461 3.415 11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.412 4.084 12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.963 2.242 13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.836 1.612 11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.537 0.248 12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.493 1.529 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.222 1.044 14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.602 2.622 14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.675 1.382 14.898 1.00 0.00 H new ATOM 1135 N PHE A 76 0.192 4.671 8.504 1.00 0.00 N ATOM 1136 CA PHE A 76 0.388 4.193 7.146 1.00 0.00 C ATOM 1137 C PHE A 76 0.062 5.287 6.127 1.00 0.00 C ATOM 1138 O PHE A 76 -0.599 6.270 6.457 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.572 3.019 6.942 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.403 1.893 7.963 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.704 1.850 8.752 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.360 0.934 8.082 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.861 0.804 9.700 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.203 -0.112 9.030 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.096 -0.155 9.819 1.00 0.00 C ATOM 0 H PHE A 76 -0.783 4.794 8.776 1.00 0.00 H new ATOM 0 HA PHE A 76 1.427 3.898 7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.596 3.388 6.990 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.426 2.613 5.941 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.464 2.612 8.658 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.239 0.968 7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.740 0.770 10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.963 -0.874 9.124 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.023 -0.950 10.540 1.00 0.00 H new ATOM 1155 N LYS A 77 0.539 5.078 4.909 1.00 0.00 N ATOM 1156 CA LYS A 77 0.306 6.034 3.840 1.00 0.00 C ATOM 1157 C LYS A 77 -1.192 6.099 3.537 1.00 0.00 C ATOM 1158 O LYS A 77 -1.931 5.163 3.839 1.00 0.00 O ATOM 1159 CB LYS A 77 1.166 5.694 2.621 1.00 0.00 C ATOM 1160 CG LYS A 77 2.593 5.334 3.039 1.00 0.00 C ATOM 1161 CD LYS A 77 3.619 6.144 2.244 1.00 0.00 C ATOM 1162 CE LYS A 77 4.915 6.316 3.038 1.00 0.00 C ATOM 1163 NZ LYS A 77 5.980 5.448 2.486 1.00 0.00 N ATOM 0 H LYS A 77 1.086 4.261 4.639 1.00 0.00 H new ATOM 0 HA LYS A 77 0.612 7.033 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.721 4.860 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.187 6.543 1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.722 5.523 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.764 4.269 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.831 5.643 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.205 7.122 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.233 7.358 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.742 6.069 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.853 5.577 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.680 4.454 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.156 5.703 1.493 1.00 0.00 H new ATOM 1177 N SER A 78 -1.596 7.213 2.945 1.00 0.00 N ATOM 1178 CA SER A 78 -2.993 7.412 2.598 1.00 0.00 C ATOM 1179 C SER A 78 -3.129 7.654 1.093 1.00 0.00 C ATOM 1180 O SER A 78 -2.144 7.591 0.359 1.00 0.00 O ATOM 1181 CB SER A 78 -3.594 8.582 3.380 1.00 0.00 C ATOM 1182 OG SER A 78 -3.060 9.835 2.961 1.00 0.00 O ATOM 0 H SER A 78 -0.980 7.987 2.697 1.00 0.00 H new ATOM 0 HA SER A 78 -3.544 6.510 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.676 8.587 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.402 8.444 4.444 1.00 0.00 H new ATOM 0 HG SER A 78 -3.563 10.563 3.383 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.358 7.926 0.678 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.635 8.177 -0.725 1.00 0.00 C ATOM 1190 C CYS A 79 -4.158 9.591 -1.063 1.00 0.00 C ATOM 1191 O CYS A 79 -3.499 9.802 -2.080 1.00 0.00 O ATOM 1192 CB CYS A 79 -6.116 7.982 -1.053 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.742 6.282 -0.791 1.00 0.00 S ATOM 0 H CYS A 79 -5.173 7.978 1.290 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.096 7.455 -1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.703 8.668 -0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.283 8.259 -2.094 1.00 0.00 H new ATOM 0 HG CYS A 79 -8.004 6.232 -1.097 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.509 10.524 -0.191 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.125 11.913 -0.384 1.00 0.00 C ATOM 1200 C VAL A 80 -2.657 12.090 0.007 1.00 0.00 C ATOM 1201 O VAL A 80 -1.945 12.896 -0.590 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.067 12.830 0.398 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.536 14.264 0.428 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.484 12.781 -0.178 1.00 0.00 C ATOM 0 H VAL A 80 -5.055 10.346 0.652 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.218 12.193 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.111 12.468 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.224 14.895 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.557 14.279 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.448 14.641 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.133 13.442 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.465 13.105 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.864 11.761 -0.123 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.247 11.324 1.008 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.876 11.386 1.485 1.00 0.00 C ATOM 1216 C GLY A 81 0.114 11.220 0.331 1.00 0.00 C ATOM 1217 O GLY A 81 0.790 12.174 -0.054 1.00 0.00 O ATOM 0 H GLY A 81 -2.841 10.657 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.703 12.340 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.710 10.605 2.227 1.00 0.00 H new ATOM 1221 N CYS A 82 0.169 10.003 -0.191 1.00 0.00 N ATOM 1222 CA CYS A 82 1.066 9.701 -1.293 1.00 0.00 C ATOM 1223 C CYS A 82 0.972 10.837 -2.314 1.00 0.00 C ATOM 1224 O CYS A 82 1.986 11.373 -2.755 1.00 0.00 O ATOM 1225 CB CYS A 82 0.751 8.342 -1.921 1.00 0.00 C ATOM 1226 SG CYS A 82 2.256 7.649 -2.700 1.00 0.00 S ATOM 0 H CYS A 82 -0.393 9.215 0.129 1.00 0.00 H new ATOM 0 HA CYS A 82 2.089 9.629 -0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.378 7.658 -1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.037 8.450 -2.666 1.00 0.00 H new ATOM 0 HG CYS A 82 1.979 6.494 -3.228 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.269 11.176 -2.667 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.556 12.236 -3.627 1.00 0.00 C ATOM 1233 C HIS A 83 0.095 13.551 -3.162 1.00 0.00 C ATOM 1234 O HIS A 83 0.549 14.342 -3.987 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.076 12.321 -3.832 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.708 11.245 -4.685 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.803 11.460 -5.419 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.359 9.932 -4.894 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.124 10.326 -6.062 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.265 9.351 -5.773 1.00 0.00 N ATOM 0 H HIS A 83 -1.102 10.721 -2.293 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.120 12.020 -4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.553 12.302 -2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.305 13.288 -4.279 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.312 12.342 -5.481 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.514 9.431 -4.446 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.968 10.219 -6.727 1.00 0.00 H new ATOM 1248 N VAL A 84 0.118 13.739 -1.850 1.00 0.00 N ATOM 1249 CA VAL A 84 0.704 14.938 -1.276 1.00 0.00 C ATOM 1250 C VAL A 84 2.229 14.846 -1.362 1.00 0.00 C ATOM 1251 O VAL A 84 2.907 15.859 -1.533 1.00 0.00 O ATOM 1252 CB VAL A 84 0.197 15.136 0.154 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.851 16.357 0.803 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.329 15.250 0.183 1.00 0.00 C ATOM 0 H VAL A 84 -0.260 13.081 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 84 0.399 15.820 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 84 0.478 14.258 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.473 16.475 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.932 16.219 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.614 17.248 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.664 15.390 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.642 16.102 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.770 14.339 -0.221 1.00 0.00 H new ATOM 1264 N GLU A 85 2.724 13.624 -1.240 1.00 0.00 N ATOM 1265 CA GLU A 85 4.156 13.387 -1.302 1.00 0.00 C ATOM 1266 C GLU A 85 4.621 13.319 -2.758 1.00 0.00 C ATOM 1267 O GLU A 85 5.814 13.425 -3.038 1.00 0.00 O ATOM 1268 CB GLU A 85 4.534 12.111 -0.546 1.00 0.00 C ATOM 1269 CG GLU A 85 5.255 12.442 0.762 1.00 0.00 C ATOM 1270 CD GLU A 85 5.608 11.167 1.531 1.00 0.00 C ATOM 1271 OE1 GLU A 85 5.021 10.118 1.190 1.00 0.00 O ATOM 1272 OE2 GLU A 85 6.456 11.271 2.443 1.00 0.00 O ATOM 0 H GLU A 85 2.159 12.787 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 85 4.663 14.221 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.636 11.530 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.175 11.490 -1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.163 13.005 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.622 13.080 1.379 1.00 0.00 H new ATOM 1279 N VAL A 86 3.654 13.144 -3.647 1.00 0.00 N ATOM 1280 CA VAL A 86 3.949 13.061 -5.067 1.00 0.00 C ATOM 1281 C VAL A 86 4.182 14.469 -5.618 1.00 0.00 C ATOM 1282 O VAL A 86 5.234 14.749 -6.191 1.00 0.00 O ATOM 1283 CB VAL A 86 2.827 12.314 -5.792 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.026 12.364 -7.308 1.00 0.00 C ATOM 1285 CG2 VAL A 86 2.724 10.869 -5.299 1.00 0.00 C ATOM 0 H VAL A 86 2.665 13.057 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 86 4.863 12.491 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 86 1.887 12.814 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.215 11.826 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.027 13.402 -7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.978 11.900 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.919 10.360 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.666 10.353 -5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.514 10.864 -4.230 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.736 19.781 -10.319 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.765 18.421 -9.808 1.00 0.00 C ATOM 1356 C LYS A 93 -2.141 18.445 -8.325 1.00 0.00 C ATOM 1357 O LYS A 93 -2.783 17.520 -7.829 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.438 17.713 -10.095 1.00 0.00 C ATOM 1359 CG LYS A 93 -0.662 16.442 -10.917 1.00 0.00 C ATOM 1360 CD LYS A 93 -1.265 16.772 -12.284 1.00 0.00 C ATOM 1361 CE LYS A 93 -1.290 15.536 -13.185 1.00 0.00 C ATOM 1362 NZ LYS A 93 -0.641 14.390 -12.510 1.00 0.00 N ATOM 0 HA LYS A 93 -2.529 17.837 -10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.229 18.386 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.055 17.461 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.285 15.919 -11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.326 15.767 -10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.278 17.154 -12.156 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.684 17.562 -12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.320 15.282 -13.436 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.777 15.752 -14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.666 13.559 -13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.347 14.630 -12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.147 14.175 -11.627 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.725 19.512 -7.660 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.010 19.669 -6.243 1.00 0.00 C ATOM 1378 C LYS A 94 -3.488 20.018 -6.061 1.00 0.00 C ATOM 1379 O LYS A 94 -3.973 20.110 -4.934 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.055 20.685 -5.614 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.754 22.028 -5.390 1.00 0.00 C ATOM 1382 CD LYS A 94 -2.370 22.099 -3.991 1.00 0.00 C ATOM 1383 CE LYS A 94 -1.918 23.363 -3.257 1.00 0.00 C ATOM 1384 NZ LYS A 94 -3.072 24.031 -2.616 1.00 0.00 N ATOM 0 H LYS A 94 -1.193 20.277 -8.075 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.836 18.733 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.684 20.301 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.189 20.825 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.038 22.840 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.532 22.167 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.457 22.088 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.081 21.218 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.174 23.106 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.438 24.046 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.747 24.887 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.769 24.293 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.512 23.383 -1.932 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.163 20.204 -7.186 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.576 20.541 -7.164 1.00 0.00 C ATOM 1400 C LYS A 95 -6.365 19.462 -7.908 1.00 0.00 C ATOM 1401 O LYS A 95 -7.588 19.546 -8.017 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.798 21.952 -7.712 1.00 0.00 C ATOM 1403 CG LYS A 95 -6.812 22.718 -6.859 1.00 0.00 C ATOM 1404 CD LYS A 95 -6.861 24.194 -7.259 1.00 0.00 C ATOM 1405 CE LYS A 95 -7.217 25.076 -6.060 1.00 0.00 C ATOM 1406 NZ LYS A 95 -8.658 25.412 -6.074 1.00 0.00 N ATOM 0 H LYS A 95 -3.757 20.128 -8.119 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.948 20.559 -6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.851 22.492 -7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.153 21.895 -8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.800 22.273 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.545 22.632 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.895 24.497 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.597 24.336 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.967 24.559 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.624 25.990 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.883 26.011 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.887 25.924 -6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.219 24.537 -6.028 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.634 18.473 -8.400 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.251 17.378 -9.130 1.00 0.00 C ATOM 1422 C ASP A 96 -5.999 16.067 -8.383 1.00 0.00 C ATOM 1423 O ASP A 96 -6.776 15.121 -8.504 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.652 17.245 -10.532 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.693 18.521 -11.376 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.623 19.323 -11.148 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.792 18.664 -12.231 1.00 0.00 O ATOM 0 H ASP A 96 -4.620 18.407 -8.308 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.318 17.585 -9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.615 16.922 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.184 16.457 -11.065 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.912 16.053 -7.627 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.549 14.873 -6.860 1.00 0.00 C ATOM 1434 C LEU A 97 -5.050 15.030 -5.423 1.00 0.00 C ATOM 1435 O LEU A 97 -5.599 14.092 -4.847 1.00 0.00 O ATOM 1436 CB LEU A 97 -3.045 14.611 -6.961 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.465 14.567 -8.376 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.987 14.171 -8.351 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.290 13.648 -9.278 1.00 0.00 C ATOM 0 H LEU A 97 -4.270 16.840 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.033 13.987 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.523 15.386 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.828 13.662 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.522 15.570 -8.800 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.599 14.147 -9.369 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.425 14.899 -7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.882 13.184 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.856 13.635 -10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.288 12.638 -8.868 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.315 14.015 -9.332 1.00 0.00 H new ATOM 1451 N THR A 98 -4.845 16.224 -4.885 1.00 0.00 N ATOM 1452 CA THR A 98 -5.269 16.515 -3.526 1.00 0.00 C ATOM 1453 C THR A 98 -6.490 17.437 -3.536 1.00 0.00 C ATOM 1454 O THR A 98 -6.977 17.839 -2.480 1.00 0.00 O ATOM 1455 CB THR A 98 -4.073 17.099 -2.772 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.834 18.349 -3.414 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.786 16.306 -3.010 1.00 0.00 C ATOM 0 H THR A 98 -4.391 17.001 -5.366 1.00 0.00 H new ATOM 0 HA THR A 98 -5.587 15.610 -3.008 1.00 0.00 H new ATOM 0 HB THR A 98 -4.293 17.121 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.391 18.416 -4.217 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.969 16.763 -2.452 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.925 15.278 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.547 16.311 -4.073 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.950 17.746 -4.740 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.104 18.613 -4.900 1.00 0.00 C ATOM 1467 C GLY A 99 -9.334 18.023 -4.206 1.00 0.00 C ATOM 1468 O GLY A 99 -9.415 16.813 -4.001 1.00 0.00 O ATOM 0 H GLY A 99 -6.544 17.411 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.885 19.597 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.313 18.754 -5.960 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.259 18.906 -3.861 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.480 18.489 -3.193 1.00 0.00 C ATOM 1474 C CYS A 100 -12.583 18.359 -4.246 1.00 0.00 C ATOM 1475 O CYS A 100 -13.373 17.417 -4.209 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.872 19.455 -2.073 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.941 19.238 -0.513 1.00 0.00 S ATOM 0 H CYS A 100 -10.188 19.909 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.322 17.524 -2.712 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.729 20.476 -2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.935 19.336 -1.865 1.00 0.00 H new ATOM 0 HG CYS A 100 -11.352 20.107 0.362 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.601 19.319 -5.159 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.594 19.323 -6.220 1.00 0.00 C ATOM 1484 C LYS A 101 -12.887 19.407 -7.574 1.00 0.00 C ATOM 1485 O LYS A 101 -11.953 20.189 -7.743 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.618 20.437 -5.991 1.00 0.00 C ATOM 1487 CG LYS A 101 -14.451 21.555 -7.022 1.00 0.00 C ATOM 1488 CD LYS A 101 -15.113 22.848 -6.540 1.00 0.00 C ATOM 1489 CE LYS A 101 -14.621 24.050 -7.349 1.00 0.00 C ATOM 1490 NZ LYS A 101 -13.242 24.413 -6.953 1.00 0.00 N ATOM 0 H LYS A 101 -11.944 20.099 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.162 18.393 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.626 20.028 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.500 20.843 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.391 21.731 -7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.891 21.248 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -16.196 22.762 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.893 23.001 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.650 23.816 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -15.286 24.899 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.016 25.362 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.166 24.409 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.573 23.724 -7.352 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.359 18.590 -8.504 1.00 0.00 N ATOM 1505 CA LYS A 102 -12.784 18.562 -9.838 1.00 0.00 C ATOM 1506 C LYS A 102 -11.615 17.575 -9.864 1.00 0.00 C ATOM 1507 O LYS A 102 -11.076 17.273 -10.927 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.407 19.974 -10.289 1.00 0.00 C ATOM 1509 CG LYS A 102 -12.618 20.145 -11.795 1.00 0.00 C ATOM 1510 CD LYS A 102 -11.280 20.192 -12.534 1.00 0.00 C ATOM 1511 CE LYS A 102 -11.052 21.566 -13.167 1.00 0.00 C ATOM 1512 NZ LYS A 102 -10.079 22.348 -12.373 1.00 0.00 N ATOM 0 H LYS A 102 -14.134 17.942 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.518 18.207 -10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.009 20.705 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.365 20.173 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.220 19.321 -12.177 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.175 21.062 -11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.469 19.968 -11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.260 19.424 -13.307 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.686 21.447 -14.187 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.997 22.106 -13.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.936 23.278 -12.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.443 22.478 -11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.173 21.839 -12.336 1.00 0.00 H new ATOM 1526 N SER A 103 -11.257 17.100 -8.680 1.00 0.00 N ATOM 1527 CA SER A 103 -10.161 16.154 -8.553 1.00 0.00 C ATOM 1528 C SER A 103 -10.580 14.792 -9.108 1.00 0.00 C ATOM 1529 O SER A 103 -11.770 14.503 -9.224 1.00 0.00 O ATOM 1530 CB SER A 103 -9.715 16.020 -7.096 1.00 0.00 C ATOM 1531 OG SER A 103 -8.687 15.046 -6.940 1.00 0.00 O ATOM 0 H SER A 103 -11.706 17.353 -7.800 1.00 0.00 H new ATOM 0 HA SER A 103 -9.316 16.530 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.358 16.985 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.571 15.746 -6.479 1.00 0.00 H new ATOM 0 HG SER A 103 -8.081 15.084 -7.709 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.578 13.989 -9.436 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.828 12.663 -9.977 1.00 0.00 C ATOM 1539 C LYS A 104 -10.653 11.855 -8.973 1.00 0.00 C ATOM 1540 O LYS A 104 -11.566 11.127 -9.359 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.512 11.990 -10.374 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.222 12.189 -11.863 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.680 13.594 -12.133 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.313 13.532 -12.818 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.472 13.499 -14.289 1.00 0.00 N ATOM 0 H LYS A 104 -8.592 14.231 -9.338 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.415 12.729 -10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.695 12.403 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.562 10.925 -10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.499 11.446 -12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.134 12.030 -12.439 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.381 14.144 -12.761 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.596 14.142 -11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.716 14.397 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.772 12.646 -12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.535 13.457 -14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.024 12.660 -14.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.969 14.357 -14.604 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.302 12.012 -7.705 1.00 0.00 N ATOM 1560 CA CYS A 105 -11.000 11.306 -6.643 1.00 0.00 C ATOM 1561 C CYS A 105 -12.423 11.860 -6.552 1.00 0.00 C ATOM 1562 O CYS A 105 -13.395 11.135 -6.754 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.258 11.416 -5.309 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.517 10.892 -5.516 1.00 0.00 S ATOM 0 H CYS A 105 -9.544 12.617 -7.389 1.00 0.00 H new ATOM 0 HA CYS A 105 -11.040 10.242 -6.875 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.297 12.443 -4.946 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.747 10.794 -4.559 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.896 10.991 -4.378 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.505 13.155 -6.245 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.776 13.858 -6.114 1.00 0.00 C ATOM 1571 C HIS A 106 -13.977 14.800 -7.316 1.00 0.00 C ATOM 1572 O HIS A 106 -13.992 16.018 -7.151 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.818 14.559 -4.748 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.654 13.682 -3.529 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.485 12.672 -3.251 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.722 13.698 -2.519 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.087 12.083 -2.114 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.002 12.677 -1.619 1.00 0.00 N ATOM 0 H HIS A 106 -11.689 13.745 -6.080 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.618 13.167 -6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.034 15.316 -4.730 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.770 15.083 -4.664 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.901 14.395 -2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.581 11.238 -1.659 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.491 12.436 -0.770 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.125 14.199 -8.488 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.323 14.970 -9.704 1.00 0.00 C ATOM 1588 C GLU A 107 -15.811 15.259 -9.912 1.00 0.00 C ATOM 1589 O GLU A 107 -16.633 14.961 -9.047 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.730 14.246 -10.914 1.00 0.00 C ATOM 1591 CG GLU A 107 -12.883 15.198 -11.761 1.00 0.00 C ATOM 1592 CD GLU A 107 -12.830 14.736 -13.218 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -13.717 13.939 -13.594 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -11.904 15.191 -13.925 1.00 0.00 O ATOM 0 H GLU A 107 -14.112 13.188 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 107 -13.800 15.920 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.117 13.410 -10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.533 13.829 -11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.299 16.204 -11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.873 15.250 -11.355 1.00 0.00 H new