USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 505 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 47 CYS SG : rot 1:sc= -4.44! USER MOD Set 1.2: A 49 HIS : no HD1:sc= -10.9! C(o=-14!,f=-17!) USER MOD Set 1.3: A 71 CYS SG : rot 168:sc= -0.878 USER MOD Set 1.4: A 74 CYS SG : rot 58:sc= 0.333 USER MOD Set 1.5: A 76 THR OG1 : rot 139:sc= 1.56 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 38 SER OG : rot 120:sc= -1.24 USER MOD Set 3.1: A 14 CYS SG : rot 50:sc= 0.157 USER MOD Set 3.2: A 17 CYS SG : rot -49:sc= -2.07 USER MOD Set 3.3: A 25 SER OG : rot 120:sc= -1.1 USER MOD Set 3.4: A 52 HIS : no HE2:sc= -8.7! C(o=-12!,f=-15!) USER MOD Set 3.5: A 55 CYS SG : rot -71:sc= -0.403 USER MOD Single : A 3 THR OG1 : rot -56:sc= -2.88! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 169:sc= 0 (180deg=-0.0476) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00147 USER MOD Single : A 23 THR OG1 : rot 32:sc= 0.207 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 72:sc= 0.308 USER MOD Single : A 43 HIS : no HD1:sc= -0.813 X(o=-0.81,f=-0.64) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -179:sc= -2.04! (180deg=-2.08!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.357 USER MOD Single : A 61 CYS SG : rot -29:sc= 0.259 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -2.12 X(o=-2.1,f=-2.3!) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0.0556 (180deg=0.043) USER MOD Single : A 68 SER OG : rot 180:sc= -6.34! USER MOD Single : A 70 GLN : amide:sc= 0.857 K(o=0.86,f=-6.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.203 -0.496 -3.852 1.00 0.00 N ATOM 37 CA THR A 3 2.282 -1.593 -4.123 1.00 0.00 C ATOM 38 C THR A 3 1.477 -1.334 -5.391 1.00 0.00 C ATOM 39 O THR A 3 0.991 -0.225 -5.612 1.00 0.00 O ATOM 40 CB THR A 3 1.313 -1.815 -2.947 1.00 0.00 C ATOM 41 OG1 THR A 3 0.082 -1.126 -3.191 1.00 0.00 O ATOM 42 CG2 THR A 3 1.923 -1.327 -1.642 1.00 0.00 C ATOM 0 HA THR A 3 2.887 -2.489 -4.258 1.00 0.00 H new ATOM 0 HB THR A 3 1.120 -2.884 -2.861 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.265 -0.176 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.220 -1.495 -0.826 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.845 -1.874 -1.444 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.142 -0.262 -1.719 1.00 0.00 H new ATOM 50 N GLU A 4 1.338 -2.364 -6.219 1.00 0.00 N ATOM 51 CA GLU A 4 0.588 -2.246 -7.465 1.00 0.00 C ATOM 52 C GLU A 4 -0.794 -2.877 -7.330 1.00 0.00 C ATOM 53 O GLU A 4 -0.921 -4.086 -7.142 1.00 0.00 O ATOM 54 CB GLU A 4 1.355 -2.911 -8.610 1.00 0.00 C ATOM 55 CG GLU A 4 0.555 -3.014 -9.898 1.00 0.00 C ATOM 56 CD GLU A 4 1.303 -3.751 -10.992 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.358 -4.348 -10.690 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.833 -3.733 -12.148 1.00 0.00 O ATOM 0 H GLU A 4 1.734 -3.289 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 4 0.463 -1.186 -7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.267 -2.345 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.660 -3.911 -8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.386 -3.527 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.304 -2.012 -10.246 1.00 0.00 H new ATOM 65 N GLU A 5 -1.829 -2.046 -7.427 1.00 0.00 N ATOM 66 CA GLU A 5 -3.202 -2.523 -7.314 1.00 0.00 C ATOM 67 C GLU A 5 -3.372 -3.867 -8.016 1.00 0.00 C ATOM 68 O GLU A 5 -2.741 -4.129 -9.042 1.00 0.00 O ATOM 69 CB GLU A 5 -4.171 -1.499 -7.910 1.00 0.00 C ATOM 70 CG GLU A 5 -5.531 -1.482 -7.234 1.00 0.00 C ATOM 71 CD GLU A 5 -6.473 -0.462 -7.841 1.00 0.00 C ATOM 72 OE1 GLU A 5 -7.654 -0.428 -7.434 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.031 0.304 -8.723 1.00 0.00 O ATOM 0 H GLU A 5 -1.742 -1.042 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.427 -2.655 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.727 -0.506 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.305 -1.712 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.980 -2.473 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.402 -1.266 -6.173 1.00 0.00 H new ATOM 80 N LEU A 6 -4.226 -4.717 -7.457 1.00 0.00 N ATOM 81 CA LEU A 6 -4.479 -6.035 -8.029 1.00 0.00 C ATOM 82 C LEU A 6 -5.903 -6.131 -8.567 1.00 0.00 C ATOM 83 O LEU A 6 -6.846 -5.635 -7.950 1.00 0.00 O ATOM 84 CB LEU A 6 -4.244 -7.121 -6.976 1.00 0.00 C ATOM 85 CG LEU A 6 -2.894 -7.081 -6.260 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.661 -8.371 -5.490 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.769 -6.839 -7.254 1.00 0.00 C ATOM 0 H LEU A 6 -4.755 -4.517 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.787 -6.184 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.032 -7.049 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.349 -8.094 -7.457 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.906 -6.255 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.695 -8.325 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.450 -8.500 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.670 -9.214 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.816 -6.814 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.755 -7.643 -7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.929 -5.887 -7.760 1.00 0.00 H new ATOM 99 N LYS A 7 -6.051 -6.774 -9.720 1.00 0.00 N ATOM 100 CA LYS A 7 -7.361 -6.939 -10.341 1.00 0.00 C ATOM 101 C LYS A 7 -8.309 -7.698 -9.417 1.00 0.00 C ATOM 102 O LYS A 7 -9.524 -7.685 -9.612 1.00 0.00 O ATOM 103 CB LYS A 7 -7.226 -7.682 -11.671 1.00 0.00 C ATOM 104 CG LYS A 7 -7.527 -6.818 -12.884 1.00 0.00 C ATOM 105 CD LYS A 7 -6.432 -6.925 -13.931 1.00 0.00 C ATOM 106 CE LYS A 7 -6.303 -5.641 -14.737 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.419 -5.890 -16.200 1.00 0.00 N ATOM 0 H LYS A 7 -5.281 -7.190 -10.244 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.776 -5.948 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.213 -8.074 -11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.900 -8.538 -11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.479 -7.121 -13.320 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.634 -5.779 -12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.482 -7.147 -13.444 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.649 -7.757 -14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.076 -4.938 -14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.342 -5.173 -14.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.326 -4.991 -16.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.666 -6.541 -16.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.346 -6.313 -16.408 1.00 0.00 H new ATOM 121 N VAL A 8 -7.746 -8.357 -8.409 1.00 0.00 N ATOM 122 CA VAL A 8 -8.542 -9.118 -7.455 1.00 0.00 C ATOM 123 C VAL A 8 -7.768 -9.360 -6.163 1.00 0.00 C ATOM 124 O VAL A 8 -6.537 -9.385 -6.143 1.00 0.00 O ATOM 125 CB VAL A 8 -8.976 -10.475 -8.041 1.00 0.00 C ATOM 126 CG1 VAL A 8 -10.272 -10.328 -8.823 1.00 0.00 C ATOM 127 CG2 VAL A 8 -7.876 -11.052 -8.918 1.00 0.00 C ATOM 0 H VAL A 8 -6.742 -8.379 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.430 -8.523 -7.239 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.153 -11.168 -7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.563 -11.296 -9.230 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.057 -9.961 -8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.126 -9.621 -9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.199 -12.011 -9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.665 -10.364 -9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.974 -11.196 -8.323 1.00 0.00 H new ATOM 137 N PRO A 9 -8.504 -9.543 -5.057 1.00 0.00 N ATOM 138 CA PRO A 9 -7.909 -9.787 -3.740 1.00 0.00 C ATOM 139 C PRO A 9 -7.250 -11.159 -3.648 1.00 0.00 C ATOM 140 O PRO A 9 -7.854 -12.187 -3.956 1.00 0.00 O ATOM 141 CB PRO A 9 -9.104 -9.702 -2.788 1.00 0.00 C ATOM 142 CG PRO A 9 -10.284 -10.046 -3.630 1.00 0.00 C ATOM 143 CD PRO A 9 -9.976 -9.526 -5.007 1.00 0.00 C ATOM 0 HA PRO A 9 -7.116 -9.075 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.996 -10.396 -1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.200 -8.704 -2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.450 -11.123 -3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.192 -9.590 -3.235 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.412 -10.157 -5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.371 -8.521 -5.155 1.00 0.00 H new ATOM 151 N PRO A 10 -5.982 -11.180 -3.212 1.00 0.00 N ATOM 152 CA PRO A 10 -5.214 -12.421 -3.068 1.00 0.00 C ATOM 153 C PRO A 10 -5.724 -13.288 -1.922 1.00 0.00 C ATOM 154 O PRO A 10 -6.835 -13.089 -1.427 1.00 0.00 O ATOM 155 CB PRO A 10 -3.795 -11.927 -2.773 1.00 0.00 C ATOM 156 CG PRO A 10 -3.980 -10.579 -2.169 1.00 0.00 C ATOM 157 CD PRO A 10 -5.199 -9.993 -2.826 1.00 0.00 C ATOM 0 HA PRO A 10 -5.286 -13.050 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.276 -12.599 -2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.197 -11.874 -3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.115 -10.650 -1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.105 -9.952 -2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.754 -9.350 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.936 -9.386 -3.692 1.00 0.00 H new ATOM 165 N ASP A 11 -4.908 -14.248 -1.504 1.00 0.00 N ATOM 166 CA ASP A 11 -5.277 -15.145 -0.414 1.00 0.00 C ATOM 167 C ASP A 11 -4.283 -15.038 0.738 1.00 0.00 C ATOM 168 O ASP A 11 -3.774 -16.046 1.227 1.00 0.00 O ATOM 169 CB ASP A 11 -5.343 -16.590 -0.914 1.00 0.00 C ATOM 170 CG ASP A 11 -5.778 -16.681 -2.365 1.00 0.00 C ATOM 171 OD1 ASP A 11 -5.052 -16.160 -3.236 1.00 0.00 O ATOM 172 OD2 ASP A 11 -6.845 -17.273 -2.626 1.00 0.00 O ATOM 0 H ASP A 11 -3.986 -14.426 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.261 -14.849 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.364 -17.056 -0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.038 -17.155 -0.293 1.00 0.00 H new ATOM 177 N GLU A 12 -4.012 -13.808 1.166 1.00 0.00 N ATOM 178 CA GLU A 12 -3.078 -13.570 2.260 1.00 0.00 C ATOM 179 C GLU A 12 -3.806 -13.041 3.492 1.00 0.00 C ATOM 180 O GLU A 12 -3.355 -13.229 4.621 1.00 0.00 O ATOM 181 CB GLU A 12 -1.995 -12.579 1.829 1.00 0.00 C ATOM 182 CG GLU A 12 -0.720 -12.674 2.651 1.00 0.00 C ATOM 183 CD GLU A 12 0.487 -13.046 1.815 1.00 0.00 C ATOM 184 OE1 GLU A 12 1.593 -12.549 2.116 1.00 0.00 O ATOM 185 OE2 GLU A 12 0.328 -13.834 0.858 1.00 0.00 O ATOM 0 H GLU A 12 -4.426 -12.963 0.772 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.609 -14.520 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.754 -12.751 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.391 -11.566 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.537 -11.718 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.854 -13.416 3.438 1.00 0.00 H new ATOM 192 N ASP A 13 -4.933 -12.377 3.265 1.00 0.00 N ATOM 193 CA ASP A 13 -5.726 -11.820 4.356 1.00 0.00 C ATOM 194 C ASP A 13 -4.959 -10.715 5.074 1.00 0.00 C ATOM 195 O ASP A 13 -3.811 -10.902 5.480 1.00 0.00 O ATOM 196 CB ASP A 13 -6.111 -12.918 5.348 1.00 0.00 C ATOM 197 CG ASP A 13 -6.870 -14.054 4.688 1.00 0.00 C ATOM 198 OD1 ASP A 13 -7.276 -14.991 5.406 1.00 0.00 O ATOM 199 OD2 ASP A 13 -7.058 -14.004 3.455 1.00 0.00 O ATOM 0 H ASP A 13 -5.319 -12.211 2.336 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.634 -11.392 3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.210 -13.312 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.723 -12.489 6.142 1.00 0.00 H new ATOM 204 N CYS A 14 -5.600 -9.561 5.230 1.00 0.00 N ATOM 205 CA CYS A 14 -4.979 -8.424 5.897 1.00 0.00 C ATOM 206 C CYS A 14 -4.182 -8.879 7.117 1.00 0.00 C ATOM 207 O CYS A 14 -4.433 -9.950 7.670 1.00 0.00 O ATOM 208 CB CYS A 14 -6.043 -7.410 6.320 1.00 0.00 C ATOM 209 SG CYS A 14 -5.366 -5.857 6.990 1.00 0.00 S ATOM 0 H CYS A 14 -6.551 -9.389 4.903 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.295 -7.950 5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.671 -7.179 5.460 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.687 -7.867 7.071 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.464 -5.391 6.178 1.00 0.00 H new ATOM 214 N ILE A 15 -3.221 -8.058 7.528 1.00 0.00 N ATOM 215 CA ILE A 15 -2.389 -8.375 8.682 1.00 0.00 C ATOM 216 C ILE A 15 -2.575 -7.347 9.793 1.00 0.00 C ATOM 217 O ILE A 15 -2.274 -7.615 10.957 1.00 0.00 O ATOM 218 CB ILE A 15 -0.898 -8.438 8.300 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.735 -8.371 6.781 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.264 -9.707 8.851 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.705 -8.458 6.322 1.00 0.00 C ATOM 0 H ILE A 15 -3.000 -7.169 7.079 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.706 -9.354 9.040 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.389 -7.580 8.739 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.302 -9.184 6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.168 -7.439 6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.790 -9.738 8.573 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.353 -9.716 9.937 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.774 -10.577 8.438 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.744 -8.404 5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.273 -7.630 6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.136 -9.402 6.654 1.00 0.00 H new ATOM 233 N ILE A 16 -3.072 -6.171 9.426 1.00 0.00 N ATOM 234 CA ILE A 16 -3.301 -5.104 10.393 1.00 0.00 C ATOM 235 C ILE A 16 -4.519 -5.400 11.260 1.00 0.00 C ATOM 236 O ILE A 16 -4.393 -5.683 12.452 1.00 0.00 O ATOM 237 CB ILE A 16 -3.500 -3.745 9.695 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.552 -3.619 8.500 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.275 -2.607 10.678 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.873 -2.270 8.408 1.00 0.00 C ATOM 0 H ILE A 16 -3.324 -5.933 8.467 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.413 -5.053 11.023 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.526 -3.686 9.330 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.791 -4.396 8.567 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.111 -3.799 7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.419 -1.653 10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.985 -2.691 11.501 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.259 -2.660 11.069 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.216 -2.252 7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.627 -1.489 8.310 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.286 -2.096 9.310 1.00 0.00 H new ATOM 252 N CYS A 17 -5.700 -5.336 10.655 1.00 0.00 N ATOM 253 CA CYS A 17 -6.943 -5.598 11.370 1.00 0.00 C ATOM 254 C CYS A 17 -7.197 -7.097 11.489 1.00 0.00 C ATOM 255 O CYS A 17 -8.217 -7.524 12.027 1.00 0.00 O ATOM 256 CB CYS A 17 -8.118 -4.925 10.657 1.00 0.00 C ATOM 257 SG CYS A 17 -8.488 -5.623 9.015 1.00 0.00 S ATOM 0 H CYS A 17 -5.822 -5.104 9.669 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.850 -5.183 12.373 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.006 -5.008 11.284 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.903 -3.862 10.548 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.393 -5.698 8.318 1.00 0.00 H new ATOM 262 N MET A 18 -6.259 -7.892 10.982 1.00 0.00 N ATOM 263 CA MET A 18 -6.380 -9.344 11.033 1.00 0.00 C ATOM 264 C MET A 18 -7.721 -9.799 10.464 1.00 0.00 C ATOM 265 O MET A 18 -8.444 -10.566 11.098 1.00 0.00 O ATOM 266 CB MET A 18 -6.228 -9.840 12.472 1.00 0.00 C ATOM 267 CG MET A 18 -4.789 -10.134 12.865 1.00 0.00 C ATOM 268 SD MET A 18 -4.619 -11.681 13.774 1.00 0.00 S ATOM 269 CE MET A 18 -4.895 -12.874 12.466 1.00 0.00 C ATOM 0 H MET A 18 -5.408 -7.555 10.532 1.00 0.00 H new ATOM 0 HA MET A 18 -5.584 -9.771 10.424 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.636 -9.091 13.151 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.823 -10.744 12.601 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.173 -10.175 11.967 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.409 -9.315 13.475 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.632 -13.870 12.821 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.945 -12.858 12.175 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.276 -12.620 11.606 1.00 0.00 H new ATOM 279 N GLU A 19 -8.045 -9.318 9.268 1.00 0.00 N ATOM 280 CA GLU A 19 -9.300 -9.675 8.617 1.00 0.00 C ATOM 281 C GLU A 19 -9.055 -10.158 7.190 1.00 0.00 C ATOM 282 O GLU A 19 -7.912 -10.240 6.738 1.00 0.00 O ATOM 283 CB GLU A 19 -10.252 -8.477 8.604 1.00 0.00 C ATOM 284 CG GLU A 19 -10.572 -7.940 9.989 1.00 0.00 C ATOM 285 CD GLU A 19 -11.901 -8.443 10.518 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.868 -8.501 9.731 1.00 0.00 O ATOM 287 OE2 GLU A 19 -11.973 -8.780 11.718 1.00 0.00 O ATOM 0 H GLU A 19 -7.457 -8.681 8.731 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.755 -10.487 9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.810 -7.679 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.181 -8.767 8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.778 -8.228 10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.587 -6.851 9.958 1.00 0.00 H new ATOM 294 N LYS A 20 -10.135 -10.480 6.487 1.00 0.00 N ATOM 295 CA LYS A 20 -10.040 -10.955 5.112 1.00 0.00 C ATOM 296 C LYS A 20 -9.626 -9.826 4.173 1.00 0.00 C ATOM 297 O LYS A 20 -10.083 -8.690 4.313 1.00 0.00 O ATOM 298 CB LYS A 20 -11.379 -11.543 4.660 1.00 0.00 C ATOM 299 CG LYS A 20 -11.364 -13.056 4.526 1.00 0.00 C ATOM 300 CD LYS A 20 -12.770 -13.630 4.529 1.00 0.00 C ATOM 301 CE LYS A 20 -12.759 -15.135 4.307 1.00 0.00 C ATOM 302 NZ LYS A 20 -14.125 -15.720 4.404 1.00 0.00 N ATOM 0 H LYS A 20 -11.087 -10.421 6.847 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.277 -11.733 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.151 -11.257 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.654 -11.104 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.858 -13.335 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.792 -13.489 5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.254 -13.405 5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.361 -13.151 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.339 -15.354 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.109 -15.606 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.075 -16.747 4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.516 -15.533 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.739 -15.289 3.684 1.00 0.00 H new ATOM 316 N LEU A 21 -8.761 -10.145 3.217 1.00 0.00 N ATOM 317 CA LEU A 21 -8.288 -9.157 2.253 1.00 0.00 C ATOM 318 C LEU A 21 -9.397 -8.767 1.282 1.00 0.00 C ATOM 319 O LEU A 21 -9.196 -7.941 0.393 1.00 0.00 O ATOM 320 CB LEU A 21 -7.087 -9.704 1.480 1.00 0.00 C ATOM 321 CG LEU A 21 -5.709 -9.282 1.992 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.614 -9.832 1.092 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.617 -7.766 2.082 1.00 0.00 C ATOM 0 H LEU A 21 -8.373 -11.079 3.088 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.984 -8.267 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.139 -10.793 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.177 -9.391 0.440 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.570 -9.695 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.641 -9.522 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.668 -10.921 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.748 -9.449 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.630 -7.482 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.776 -7.333 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.379 -7.395 2.768 1.00 0.00 H new ATOM 335 N SER A 22 -10.570 -9.366 1.462 1.00 0.00 N ATOM 336 CA SER A 22 -11.712 -9.083 0.600 1.00 0.00 C ATOM 337 C SER A 22 -12.822 -8.383 1.380 1.00 0.00 C ATOM 338 O SER A 22 -13.777 -7.869 0.799 1.00 0.00 O ATOM 339 CB SER A 22 -12.246 -10.377 -0.018 1.00 0.00 C ATOM 340 OG SER A 22 -12.128 -11.461 0.888 1.00 0.00 O ATOM 0 H SER A 22 -10.754 -10.050 2.196 1.00 0.00 H new ATOM 0 HA SER A 22 -11.377 -8.419 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.291 -10.246 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.696 -10.601 -0.932 1.00 0.00 H new ATOM 0 HG SER A 22 -12.477 -12.276 0.470 1.00 0.00 H new ATOM 346 N THR A 23 -12.687 -8.370 2.703 1.00 0.00 N ATOM 347 CA THR A 23 -13.678 -7.736 3.565 1.00 0.00 C ATOM 348 C THR A 23 -13.384 -6.250 3.738 1.00 0.00 C ATOM 349 O THR A 23 -13.986 -5.583 4.578 1.00 0.00 O ATOM 350 CB THR A 23 -13.724 -8.403 4.952 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.428 -8.905 5.298 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.735 -9.540 4.972 1.00 0.00 C ATOM 0 H THR A 23 -11.902 -8.791 3.200 1.00 0.00 H new ATOM 0 HA THR A 23 -14.646 -7.859 3.079 1.00 0.00 H new ATOM 0 HB THR A 23 -14.029 -7.653 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.739 -8.328 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.750 -9.996 5.962 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.725 -9.150 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.455 -10.289 4.232 1.00 0.00 H new ATOM 360 N ALA A 24 -12.455 -5.738 2.938 1.00 0.00 N ATOM 361 CA ALA A 24 -12.084 -4.330 3.002 1.00 0.00 C ATOM 362 C ALA A 24 -11.218 -4.044 4.223 1.00 0.00 C ATOM 363 O ALA A 24 -11.055 -4.900 5.094 1.00 0.00 O ATOM 364 CB ALA A 24 -13.329 -3.456 3.019 1.00 0.00 C ATOM 0 H ALA A 24 -11.945 -6.277 2.238 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.500 -4.094 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.037 -2.407 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.908 -3.630 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.936 -3.704 3.890 1.00 0.00 H new ATOM 370 N SER A 25 -10.664 -2.837 4.283 1.00 0.00 N ATOM 371 CA SER A 25 -9.811 -2.441 5.397 1.00 0.00 C ATOM 372 C SER A 25 -10.640 -2.190 6.653 1.00 0.00 C ATOM 373 O SER A 25 -11.569 -1.384 6.646 1.00 0.00 O ATOM 374 CB SER A 25 -9.016 -1.185 5.037 1.00 0.00 C ATOM 375 OG SER A 25 -9.510 -0.053 5.731 1.00 0.00 O ATOM 0 H SER A 25 -10.791 -2.116 3.573 1.00 0.00 H new ATOM 0 HA SER A 25 -9.116 -3.256 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.964 -1.334 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.073 -1.010 3.963 1.00 0.00 H new ATOM 0 HG SER A 25 -8.799 0.324 6.290 1.00 0.00 H new ATOM 381 N GLY A 26 -10.294 -2.887 7.732 1.00 0.00 N ATOM 382 CA GLY A 26 -11.015 -2.726 8.981 1.00 0.00 C ATOM 383 C GLY A 26 -10.745 -1.386 9.639 1.00 0.00 C ATOM 384 O GLY A 26 -11.471 -0.973 10.543 1.00 0.00 O ATOM 0 H GLY A 26 -9.528 -3.560 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.084 -2.827 8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.733 -3.526 9.665 1.00 0.00 H new ATOM 388 N TYR A 27 -9.699 -0.706 9.184 1.00 0.00 N ATOM 389 CA TYR A 27 -9.332 0.592 9.736 1.00 0.00 C ATOM 390 C TYR A 27 -10.242 1.690 9.196 1.00 0.00 C ATOM 391 O TYR A 27 -10.421 2.732 9.828 1.00 0.00 O ATOM 392 CB TYR A 27 -7.873 0.916 9.409 1.00 0.00 C ATOM 393 CG TYR A 27 -6.900 0.479 10.480 1.00 0.00 C ATOM 394 CD1 TYR A 27 -6.980 -0.789 11.043 1.00 0.00 C ATOM 395 CD2 TYR A 27 -5.903 1.334 10.931 1.00 0.00 C ATOM 396 CE1 TYR A 27 -6.094 -1.193 12.024 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.010 0.939 11.909 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.111 -0.325 12.452 1.00 0.00 C ATOM 399 OH TYR A 27 -4.226 -0.722 13.429 1.00 0.00 O ATOM 0 H TYR A 27 -9.090 -1.032 8.434 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.452 0.545 10.818 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.605 0.435 8.468 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.774 1.991 9.257 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.748 -1.471 10.708 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.824 2.325 10.510 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.171 -2.181 12.452 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.238 1.615 12.246 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.596 0.006 13.615 1.00 0.00 H new ATOM 409 N SER A 28 -10.816 1.450 8.021 1.00 0.00 N ATOM 410 CA SER A 28 -11.706 2.419 7.392 1.00 0.00 C ATOM 411 C SER A 28 -12.662 3.023 8.416 1.00 0.00 C ATOM 412 O SER A 28 -13.114 4.158 8.264 1.00 0.00 O ATOM 413 CB SER A 28 -12.500 1.757 6.265 1.00 0.00 C ATOM 414 OG SER A 28 -13.457 2.650 5.722 1.00 0.00 O ATOM 0 H SER A 28 -10.680 0.593 7.485 1.00 0.00 H new ATOM 0 HA SER A 28 -11.095 3.219 6.975 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.819 1.428 5.480 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.002 0.867 6.644 1.00 0.00 H new ATOM 0 HG SER A 28 -13.950 2.203 5.003 1.00 0.00 H new ATOM 420 N ASP A 29 -12.963 2.256 9.458 1.00 0.00 N ATOM 421 CA ASP A 29 -13.865 2.715 10.509 1.00 0.00 C ATOM 422 C ASP A 29 -13.537 4.148 10.919 1.00 0.00 C ATOM 423 O ASP A 29 -14.431 4.982 11.065 1.00 0.00 O ATOM 424 CB ASP A 29 -13.777 1.792 11.725 1.00 0.00 C ATOM 425 CG ASP A 29 -15.108 1.150 12.062 1.00 0.00 C ATOM 426 OD1 ASP A 29 -15.874 1.747 12.846 1.00 0.00 O ATOM 427 OD2 ASP A 29 -15.384 0.050 11.540 1.00 0.00 O ATOM 0 H ASP A 29 -12.596 1.315 9.598 1.00 0.00 H new ATOM 0 HA ASP A 29 -14.882 2.691 10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.039 1.013 11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.423 2.361 12.585 1.00 0.00 H new ATOM 432 N VAL A 30 -12.251 4.427 11.101 1.00 0.00 N ATOM 433 CA VAL A 30 -11.805 5.758 11.494 1.00 0.00 C ATOM 434 C VAL A 30 -10.613 6.208 10.656 1.00 0.00 C ATOM 435 O VAL A 30 -10.064 7.289 10.869 1.00 0.00 O ATOM 436 CB VAL A 30 -11.418 5.804 12.985 1.00 0.00 C ATOM 437 CG1 VAL A 30 -10.179 4.958 13.240 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.194 7.240 13.433 1.00 0.00 C ATOM 0 H VAL A 30 -11.499 3.748 10.982 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.642 6.435 11.323 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.239 5.389 13.569 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.920 5.002 14.298 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.380 3.924 12.958 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.349 5.341 12.647 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.922 7.254 14.488 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.390 7.683 12.845 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.109 7.814 13.287 1.00 0.00 H new ATOM 448 N THR A 31 -10.218 5.372 9.702 1.00 0.00 N ATOM 449 CA THR A 31 -9.092 5.682 8.831 1.00 0.00 C ATOM 450 C THR A 31 -9.529 5.763 7.373 1.00 0.00 C ATOM 451 O THR A 31 -9.556 4.756 6.666 1.00 0.00 O ATOM 452 CB THR A 31 -7.975 4.630 8.962 1.00 0.00 C ATOM 453 OG1 THR A 31 -7.989 4.060 10.276 1.00 0.00 O ATOM 454 CG2 THR A 31 -6.612 5.250 8.689 1.00 0.00 C ATOM 0 H THR A 31 -10.662 4.473 9.513 1.00 0.00 H new ATOM 0 HA THR A 31 -8.707 6.652 9.146 1.00 0.00 H new ATOM 0 HB THR A 31 -8.156 3.848 8.225 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.769 3.474 10.370 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.839 4.488 8.788 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.593 5.657 7.678 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.426 6.050 9.406 1.00 0.00 H new ATOM 517 N LEU A 36 -7.511 5.851 -0.975 1.00 0.00 N ATOM 518 CA LEU A 36 -7.455 4.393 -1.026 1.00 0.00 C ATOM 519 C LEU A 36 -8.857 3.794 -0.996 1.00 0.00 C ATOM 520 O LEU A 36 -9.111 2.754 -1.603 1.00 0.00 O ATOM 521 CB LEU A 36 -6.631 3.854 0.145 1.00 0.00 C ATOM 522 CG LEU A 36 -5.136 4.174 0.117 1.00 0.00 C ATOM 523 CD1 LEU A 36 -4.424 3.497 1.279 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.523 3.745 -1.208 1.00 0.00 C ATOM 0 HA LEU A 36 -6.977 4.104 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.050 4.250 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.750 2.771 0.179 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.013 5.252 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.361 3.736 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.844 3.852 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.556 2.417 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.459 3.981 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.657 2.671 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.013 4.275 -2.024 1.00 0.00 H new ATOM 536 N GLY A 37 -9.764 4.458 -0.286 1.00 0.00 N ATOM 537 CA GLY A 37 -11.130 3.976 -0.192 1.00 0.00 C ATOM 538 C GLY A 37 -11.228 2.649 0.534 1.00 0.00 C ATOM 539 O GLY A 37 -12.309 2.069 0.637 1.00 0.00 O ATOM 0 H GLY A 37 -9.578 5.321 0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.738 4.717 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.544 3.870 -1.195 1.00 0.00 H new ATOM 543 N SER A 38 -10.096 2.166 1.037 1.00 0.00 N ATOM 544 CA SER A 38 -10.058 0.896 1.752 1.00 0.00 C ATOM 545 C SER A 38 -10.759 -0.198 0.954 1.00 0.00 C ATOM 546 O SER A 38 -11.264 -1.169 1.520 1.00 0.00 O ATOM 547 CB SER A 38 -10.714 1.041 3.127 1.00 0.00 C ATOM 548 OG SER A 38 -11.560 2.177 3.171 1.00 0.00 O ATOM 0 H SER A 38 -9.193 2.635 0.962 1.00 0.00 H new ATOM 0 HA SER A 38 -9.014 0.612 1.884 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.291 0.145 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.944 1.127 3.894 1.00 0.00 H new ATOM 0 HG SER A 38 -12.477 1.895 3.373 1.00 0.00 H new ATOM 554 N LEU A 39 -10.788 -0.035 -0.364 1.00 0.00 N ATOM 555 CA LEU A 39 -11.427 -1.008 -1.243 1.00 0.00 C ATOM 556 C LEU A 39 -10.480 -1.440 -2.357 1.00 0.00 C ATOM 557 O LEU A 39 -10.910 -1.728 -3.474 1.00 0.00 O ATOM 558 CB LEU A 39 -12.705 -0.419 -1.844 1.00 0.00 C ATOM 559 CG LEU A 39 -12.530 0.397 -3.125 1.00 0.00 C ATOM 560 CD1 LEU A 39 -13.258 -0.265 -4.283 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.029 1.820 -2.923 1.00 0.00 C ATOM 0 H LEU A 39 -10.376 0.763 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.683 -1.885 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.396 -1.236 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.176 0.216 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.468 0.436 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.122 0.330 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.854 -1.265 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.321 -0.336 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.897 2.386 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.086 1.801 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.462 2.294 -2.122 1.00 0.00 H new ATOM 573 N ALA A 40 -9.189 -1.488 -2.044 1.00 0.00 N ATOM 574 CA ALA A 40 -8.181 -1.890 -3.018 1.00 0.00 C ATOM 575 C ALA A 40 -7.100 -2.746 -2.366 1.00 0.00 C ATOM 576 O ALA A 40 -6.808 -2.597 -1.179 1.00 0.00 O ATOM 577 CB ALA A 40 -7.563 -0.665 -3.674 1.00 0.00 C ATOM 0 H ALA A 40 -8.817 -1.254 -1.124 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.670 -2.490 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.812 -0.980 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.340 -0.093 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.093 -0.042 -2.912 1.00 0.00 H new ATOM 583 N VAL A 41 -6.510 -3.642 -3.150 1.00 0.00 N ATOM 584 CA VAL A 41 -5.460 -4.522 -2.650 1.00 0.00 C ATOM 585 C VAL A 41 -4.137 -4.255 -3.356 1.00 0.00 C ATOM 586 O VAL A 41 -4.043 -4.349 -4.579 1.00 0.00 O ATOM 587 CB VAL A 41 -5.836 -6.005 -2.832 1.00 0.00 C ATOM 588 CG1 VAL A 41 -5.279 -6.841 -1.690 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.345 -6.162 -2.932 1.00 0.00 C ATOM 0 H VAL A 41 -6.741 -3.778 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.350 -4.310 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.394 -6.363 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.555 -7.885 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.193 -6.752 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.690 -6.486 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.593 -7.216 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.811 -5.788 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.714 -5.596 -3.787 1.00 0.00 H new ATOM 599 N GLY A 42 -3.112 -3.921 -2.576 1.00 0.00 N ATOM 600 CA GLY A 42 -1.806 -3.645 -3.144 1.00 0.00 C ATOM 601 C GLY A 42 -0.687 -4.331 -2.386 1.00 0.00 C ATOM 602 O GLY A 42 -0.663 -4.320 -1.155 1.00 0.00 O ATOM 0 H GLY A 42 -3.164 -3.837 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.789 -3.971 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.634 -2.569 -3.145 1.00 0.00 H new ATOM 606 N HIS A 43 0.243 -4.932 -3.122 1.00 0.00 N ATOM 607 CA HIS A 43 1.369 -5.629 -2.510 1.00 0.00 C ATOM 608 C HIS A 43 2.677 -4.893 -2.788 1.00 0.00 C ATOM 609 O HIS A 43 3.039 -4.664 -3.943 1.00 0.00 O ATOM 610 CB HIS A 43 1.455 -7.062 -3.033 1.00 0.00 C ATOM 611 CG HIS A 43 2.147 -7.176 -4.358 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.354 -7.823 -4.522 1.00 0.00 N ATOM 613 CD2 HIS A 43 1.795 -6.724 -5.583 1.00 0.00 C ATOM 614 CE1 HIS A 43 3.714 -7.761 -5.791 1.00 0.00 C ATOM 615 NE2 HIS A 43 2.785 -7.099 -6.457 1.00 0.00 N ATOM 0 H HIS A 43 0.239 -4.950 -4.142 1.00 0.00 H new ATOM 0 HA HIS A 43 1.208 -5.654 -1.432 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.983 -7.675 -2.303 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.448 -7.469 -3.122 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.901 -6.170 -5.828 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.615 -8.181 -6.213 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.801 -6.899 -7.457 1.00 0.00 H new ATOM 623 N LEU A 44 3.382 -4.528 -1.724 1.00 0.00 N ATOM 624 CA LEU A 44 4.651 -3.818 -1.853 1.00 0.00 C ATOM 625 C LEU A 44 5.619 -4.592 -2.741 1.00 0.00 C ATOM 626 O LEU A 44 5.849 -5.784 -2.537 1.00 0.00 O ATOM 627 CB LEU A 44 5.275 -3.593 -0.474 1.00 0.00 C ATOM 628 CG LEU A 44 5.324 -2.143 0.011 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.921 -2.056 1.474 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.715 -1.559 -0.196 1.00 0.00 C ATOM 0 H LEU A 44 3.097 -4.711 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 44 4.453 -2.852 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.718 -4.181 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.292 -3.985 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 44 4.615 -1.559 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.962 -1.017 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.906 -2.435 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.606 -2.653 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.732 -0.527 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.443 -2.145 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.967 -1.586 -1.256 1.00 0.00 H new ATOM 642 N THR A 45 6.187 -3.905 -3.728 1.00 0.00 N ATOM 643 CA THR A 45 7.132 -4.526 -4.647 1.00 0.00 C ATOM 644 C THR A 45 8.542 -4.531 -4.066 1.00 0.00 C ATOM 645 O THR A 45 9.527 -4.590 -4.802 1.00 0.00 O ATOM 646 CB THR A 45 7.151 -3.803 -6.007 1.00 0.00 C ATOM 647 OG1 THR A 45 7.903 -2.589 -5.905 1.00 0.00 O ATOM 648 CG2 THR A 45 5.738 -3.493 -6.475 1.00 0.00 C ATOM 0 H THR A 45 6.008 -2.918 -3.911 1.00 0.00 H new ATOM 0 HA THR A 45 6.800 -5.554 -4.795 1.00 0.00 H new ATOM 0 HB THR A 45 7.622 -4.461 -6.737 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.912 -2.136 -6.774 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.777 -2.983 -7.437 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.177 -4.422 -6.580 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.245 -2.852 -5.744 1.00 0.00 H new ATOM 656 N LYS A 46 8.632 -4.469 -2.742 1.00 0.00 N ATOM 657 CA LYS A 46 9.921 -4.468 -2.061 1.00 0.00 C ATOM 658 C LYS A 46 10.162 -5.797 -1.352 1.00 0.00 C ATOM 659 O LYS A 46 11.274 -6.326 -1.363 1.00 0.00 O ATOM 660 CB LYS A 46 9.987 -3.319 -1.052 1.00 0.00 C ATOM 661 CG LYS A 46 10.457 -2.008 -1.656 1.00 0.00 C ATOM 662 CD LYS A 46 11.779 -1.559 -1.056 1.00 0.00 C ATOM 663 CE LYS A 46 11.568 -0.574 0.085 1.00 0.00 C ATOM 664 NZ LYS A 46 12.859 -0.121 0.672 1.00 0.00 N ATOM 0 H LYS A 46 7.826 -4.419 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 46 10.700 -4.330 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.000 -3.174 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.659 -3.597 -0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.566 -2.122 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.702 -1.239 -1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.328 -2.427 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.392 -1.096 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.012 0.290 -0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.960 -1.041 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.673 0.549 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.379 -0.942 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.428 0.347 -0.061 1.00 0.00 H new ATOM 678 N CYS A 47 9.113 -6.333 -0.736 1.00 0.00 N ATOM 679 CA CYS A 47 9.211 -7.600 -0.022 1.00 0.00 C ATOM 680 C CYS A 47 8.183 -8.600 -0.545 1.00 0.00 C ATOM 681 O CYS A 47 8.291 -9.801 -0.302 1.00 0.00 O ATOM 682 CB CYS A 47 9.006 -7.381 1.478 1.00 0.00 C ATOM 683 SG CYS A 47 7.529 -6.398 1.892 1.00 0.00 S ATOM 0 H CYS A 47 8.185 -5.909 -0.717 1.00 0.00 H new ATOM 0 HA CYS A 47 10.208 -8.007 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.933 -8.351 1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.886 -6.883 1.885 1.00 0.00 H new ATOM 0 HG CYS A 47 6.902 -6.076 0.800 1.00 0.00 H new ATOM 688 N SER A 48 7.188 -8.094 -1.267 1.00 0.00 N ATOM 689 CA SER A 48 6.139 -8.940 -1.822 1.00 0.00 C ATOM 690 C SER A 48 5.057 -9.217 -0.783 1.00 0.00 C ATOM 691 O SER A 48 4.429 -10.277 -0.790 1.00 0.00 O ATOM 692 CB SER A 48 6.731 -10.260 -2.323 1.00 0.00 C ATOM 693 OG SER A 48 5.969 -10.787 -3.394 1.00 0.00 O ATOM 0 H SER A 48 7.087 -7.102 -1.481 1.00 0.00 H new ATOM 0 HA SER A 48 5.686 -8.411 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.759 -10.101 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.763 -10.981 -1.506 1.00 0.00 H new ATOM 0 HG SER A 48 6.369 -11.629 -3.697 1.00 0.00 H new ATOM 699 N HIS A 49 4.843 -8.257 0.110 1.00 0.00 N ATOM 700 CA HIS A 49 3.836 -8.395 1.156 1.00 0.00 C ATOM 701 C HIS A 49 2.562 -7.640 0.788 1.00 0.00 C ATOM 702 O HIS A 49 2.598 -6.444 0.504 1.00 0.00 O ATOM 703 CB HIS A 49 4.381 -7.880 2.489 1.00 0.00 C ATOM 704 CG HIS A 49 5.615 -8.592 2.948 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.963 -8.715 4.276 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.586 -9.223 2.245 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.096 -9.390 4.371 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.494 -9.709 3.153 1.00 0.00 N ATOM 0 H HIS A 49 5.354 -7.374 0.131 1.00 0.00 H new ATOM 0 HA HIS A 49 3.594 -9.453 1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.599 -6.816 2.396 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.608 -7.982 3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.636 -9.325 1.171 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.609 -9.638 5.289 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.339 -10.232 2.924 1.00 0.00 H new ATOM 716 N ALA A 50 1.438 -8.350 0.793 1.00 0.00 N ATOM 717 CA ALA A 50 0.153 -7.747 0.461 1.00 0.00 C ATOM 718 C ALA A 50 -0.646 -7.429 1.719 1.00 0.00 C ATOM 719 O ALA A 50 -0.347 -7.935 2.802 1.00 0.00 O ATOM 720 CB ALA A 50 -0.642 -8.669 -0.452 1.00 0.00 C ATOM 0 H ALA A 50 1.392 -9.343 1.023 1.00 0.00 H new ATOM 0 HA ALA A 50 0.344 -6.810 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.599 -8.206 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.082 -8.842 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.815 -9.620 0.052 1.00 0.00 H new ATOM 726 N PHE A 51 -1.663 -6.586 1.571 1.00 0.00 N ATOM 727 CA PHE A 51 -2.505 -6.199 2.697 1.00 0.00 C ATOM 728 C PHE A 51 -3.450 -5.066 2.306 1.00 0.00 C ATOM 729 O PHE A 51 -3.448 -4.609 1.163 1.00 0.00 O ATOM 730 CB PHE A 51 -1.639 -5.768 3.884 1.00 0.00 C ATOM 731 CG PHE A 51 -0.245 -5.368 3.495 1.00 0.00 C ATOM 732 CD1 PHE A 51 -0.006 -4.717 2.295 1.00 0.00 C ATOM 733 CD2 PHE A 51 0.827 -5.643 4.328 1.00 0.00 C ATOM 734 CE1 PHE A 51 1.276 -4.346 1.935 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.111 -5.275 3.973 1.00 0.00 C ATOM 736 CZ PHE A 51 2.336 -4.627 2.774 1.00 0.00 C ATOM 0 H PHE A 51 -1.924 -6.158 0.683 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.102 -7.064 2.986 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.121 -4.931 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.587 -6.587 4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.831 -4.497 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.657 -6.151 5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.448 -3.837 0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.938 -5.494 4.632 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.339 -4.341 2.493 1.00 0.00 H new ATOM 746 N HIS A 52 -4.256 -4.619 3.263 1.00 0.00 N ATOM 747 CA HIS A 52 -5.207 -3.540 3.020 1.00 0.00 C ATOM 748 C HIS A 52 -4.491 -2.197 2.920 1.00 0.00 C ATOM 749 O HIS A 52 -4.047 -1.641 3.926 1.00 0.00 O ATOM 750 CB HIS A 52 -6.252 -3.491 4.134 1.00 0.00 C ATOM 751 CG HIS A 52 -7.276 -4.581 4.043 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.883 -5.138 5.149 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.798 -5.216 2.968 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.734 -6.070 4.759 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.703 -6.137 3.439 1.00 0.00 N ATOM 0 H HIS A 52 -4.270 -4.987 4.214 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.707 -3.738 2.072 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.747 -3.558 5.098 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.757 -2.526 4.105 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.703 -4.872 6.117 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.550 -5.033 1.933 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.350 -6.674 5.408 1.00 0.00 H new ATOM 763 N LEU A 53 -4.379 -1.680 1.701 1.00 0.00 N ATOM 764 CA LEU A 53 -3.715 -0.401 1.470 1.00 0.00 C ATOM 765 C LEU A 53 -4.053 0.595 2.574 1.00 0.00 C ATOM 766 O LEU A 53 -3.162 1.203 3.169 1.00 0.00 O ATOM 767 CB LEU A 53 -4.123 0.169 0.110 1.00 0.00 C ATOM 768 CG LEU A 53 -3.475 -0.482 -1.112 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.311 -0.232 -2.358 1.00 0.00 C ATOM 770 CD2 LEU A 53 -2.057 0.041 -1.306 1.00 0.00 C ATOM 0 H LEU A 53 -4.739 -2.126 0.858 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.638 -0.572 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.205 0.082 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.886 1.233 0.098 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.426 -1.558 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.833 -0.703 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.306 -0.654 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.393 0.841 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.611 -0.433 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.084 1.121 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.460 -0.190 -0.424 1.00 0.00 H new ATOM 782 N LEU A 54 -5.343 0.756 2.844 1.00 0.00 N ATOM 783 CA LEU A 54 -5.800 1.678 3.878 1.00 0.00 C ATOM 784 C LEU A 54 -5.157 1.349 5.222 1.00 0.00 C ATOM 785 O LEU A 54 -4.315 2.097 5.720 1.00 0.00 O ATOM 786 CB LEU A 54 -7.323 1.624 4.002 1.00 0.00 C ATOM 787 CG LEU A 54 -7.971 2.738 4.824 1.00 0.00 C ATOM 788 CD1 LEU A 54 -6.961 3.347 5.786 1.00 0.00 C ATOM 789 CD2 LEU A 54 -8.551 3.807 3.910 1.00 0.00 C ATOM 0 H LEU A 54 -6.092 0.260 2.361 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.502 2.686 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.750 1.645 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.597 0.667 4.445 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.785 2.307 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.439 4.138 6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.593 2.576 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.126 3.763 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.008 4.592 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.755 4.235 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.306 3.361 3.262 1.00 0.00 H new ATOM 801 N CYS A 55 -5.559 0.224 5.804 1.00 0.00 N ATOM 802 CA CYS A 55 -5.021 -0.206 7.090 1.00 0.00 C ATOM 803 C CYS A 55 -3.544 0.156 7.211 1.00 0.00 C ATOM 804 O CYS A 55 -3.098 0.653 8.246 1.00 0.00 O ATOM 805 CB CYS A 55 -5.203 -1.715 7.262 1.00 0.00 C ATOM 806 SG CYS A 55 -6.919 -2.223 7.609 1.00 0.00 S ATOM 0 H CYS A 55 -6.255 -0.406 5.406 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.569 0.312 7.877 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.863 -2.217 6.356 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.563 -2.057 8.075 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.243 -1.861 8.815 1.00 0.00 H new ATOM 811 N LEU A 56 -2.790 -0.095 6.147 1.00 0.00 N ATOM 812 CA LEU A 56 -1.363 0.205 6.132 1.00 0.00 C ATOM 813 C LEU A 56 -1.122 1.712 6.161 1.00 0.00 C ATOM 814 O LEU A 56 -0.439 2.226 7.047 1.00 0.00 O ATOM 815 CB LEU A 56 -0.706 -0.404 4.892 1.00 0.00 C ATOM 816 CG LEU A 56 -1.023 -1.875 4.619 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.870 -2.187 3.139 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.125 -2.777 5.453 1.00 0.00 C ATOM 0 H LEU A 56 -3.143 -0.506 5.283 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.916 -0.233 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.007 0.179 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.374 -0.298 4.988 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.058 -2.064 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.099 -3.238 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.555 -1.565 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.154 -1.982 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.364 -3.820 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.918 -2.587 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.285 -2.571 6.511 1.00 0.00 H new ATOM 830 N LEU A 57 -1.690 2.415 5.186 1.00 0.00 N ATOM 831 CA LEU A 57 -1.540 3.863 5.101 1.00 0.00 C ATOM 832 C LEU A 57 -1.763 4.515 6.461 1.00 0.00 C ATOM 833 O LEU A 57 -1.254 5.603 6.730 1.00 0.00 O ATOM 834 CB LEU A 57 -2.523 4.438 4.080 1.00 0.00 C ATOM 835 CG LEU A 57 -2.070 5.702 3.348 1.00 0.00 C ATOM 836 CD1 LEU A 57 -2.095 5.486 1.843 1.00 0.00 C ATOM 837 CD2 LEU A 57 -2.946 6.885 3.734 1.00 0.00 C ATOM 0 H LEU A 57 -2.258 2.005 4.444 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.522 4.079 4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.735 3.669 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.461 4.655 4.591 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.045 5.923 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.770 6.396 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.425 4.667 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.109 5.240 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.609 7.776 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.981 6.674 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.876 7.054 4.808 1.00 0.00 H new ATOM 849 N ALA A 58 -2.526 3.842 7.316 1.00 0.00 N ATOM 850 CA ALA A 58 -2.813 4.354 8.651 1.00 0.00 C ATOM 851 C ALA A 58 -1.563 4.344 9.523 1.00 0.00 C ATOM 852 O ALA A 58 -1.061 5.395 9.919 1.00 0.00 O ATOM 853 CB ALA A 58 -3.920 3.538 9.302 1.00 0.00 C ATOM 0 H ALA A 58 -2.957 2.941 7.108 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.147 5.387 8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.124 3.931 10.298 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.823 3.601 8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.607 2.497 9.380 1.00 0.00 H new ATOM 859 N MET A 59 -1.063 3.148 9.820 1.00 0.00 N ATOM 860 CA MET A 59 0.130 3.001 10.646 1.00 0.00 C ATOM 861 C MET A 59 1.378 3.417 9.875 1.00 0.00 C ATOM 862 O MET A 59 2.447 3.605 10.459 1.00 0.00 O ATOM 863 CB MET A 59 0.270 1.555 11.124 1.00 0.00 C ATOM 864 CG MET A 59 -0.143 0.527 10.084 1.00 0.00 C ATOM 865 SD MET A 59 0.974 -0.888 10.024 1.00 0.00 S ATOM 866 CE MET A 59 2.256 -0.262 8.941 1.00 0.00 C ATOM 0 H MET A 59 -1.466 2.267 9.501 1.00 0.00 H new ATOM 0 HA MET A 59 0.025 3.654 11.513 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.306 1.374 11.409 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.336 1.417 12.019 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.152 0.179 10.304 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.176 1.001 9.103 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.014 -1.031 8.792 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.820 0.009 7.980 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.716 0.617 9.392 1.00 0.00 H new ATOM 876 N TYR A 60 1.239 3.558 8.562 1.00 0.00 N ATOM 877 CA TYR A 60 2.356 3.950 7.712 1.00 0.00 C ATOM 878 C TYR A 60 2.974 5.260 8.191 1.00 0.00 C ATOM 879 O TYR A 60 4.098 5.601 7.821 1.00 0.00 O ATOM 880 CB TYR A 60 1.895 4.092 6.260 1.00 0.00 C ATOM 881 CG TYR A 60 2.034 5.496 5.716 1.00 0.00 C ATOM 882 CD1 TYR A 60 2.796 5.750 4.582 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.404 6.568 6.336 1.00 0.00 C ATOM 884 CE1 TYR A 60 2.925 7.031 4.081 1.00 0.00 C ATOM 885 CE2 TYR A 60 1.527 7.852 5.841 1.00 0.00 C ATOM 886 CZ TYR A 60 2.289 8.079 4.713 1.00 0.00 C ATOM 887 OH TYR A 60 2.416 9.357 4.219 1.00 0.00 O ATOM 0 H TYR A 60 0.363 3.406 8.063 1.00 0.00 H new ATOM 0 HA TYR A 60 3.114 3.169 7.771 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.473 3.410 5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.852 3.784 6.187 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.296 4.932 4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.808 6.395 7.220 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.521 7.211 3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.029 8.674 6.334 1.00 0.00 H new ATOM 0 HH TYR A 60 1.905 9.977 4.780 1.00 0.00 H new ATOM 897 N CYS A 61 2.231 5.988 9.019 1.00 0.00 N ATOM 898 CA CYS A 61 2.705 7.261 9.550 1.00 0.00 C ATOM 899 C CYS A 61 3.969 7.066 10.380 1.00 0.00 C ATOM 900 O CYS A 61 4.619 8.034 10.774 1.00 0.00 O ATOM 901 CB CYS A 61 1.617 7.917 10.402 1.00 0.00 C ATOM 902 SG CYS A 61 2.060 9.552 11.034 1.00 0.00 S ATOM 0 H CYS A 61 1.300 5.719 9.336 1.00 0.00 H new ATOM 0 HA CYS A 61 2.941 7.913 8.709 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.708 8.003 9.807 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.387 7.264 11.244 1.00 0.00 H new ATOM 0 HG CYS A 61 3.350 9.626 11.181 1.00 0.00 H new ATOM 908 N ASN A 62 4.311 5.810 10.643 1.00 0.00 N ATOM 909 CA ASN A 62 5.497 5.488 11.429 1.00 0.00 C ATOM 910 C ASN A 62 6.688 5.196 10.522 1.00 0.00 C ATOM 911 O ASN A 62 7.735 5.833 10.629 1.00 0.00 O ATOM 912 CB ASN A 62 5.225 4.287 12.335 1.00 0.00 C ATOM 913 CG ASN A 62 5.845 4.445 13.709 1.00 0.00 C ATOM 914 OD1 ASN A 62 7.035 4.189 13.899 1.00 0.00 O ATOM 915 ND2 ASN A 62 5.041 4.870 14.677 1.00 0.00 N ATOM 0 H ASN A 62 3.784 4.997 10.323 1.00 0.00 H new ATOM 0 HA ASN A 62 5.737 6.353 12.047 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.149 4.151 12.439 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.616 3.385 11.865 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.403 4.996 15.622 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.061 5.070 14.475 1.00 0.00 H new ATOM 922 N GLY A 63 6.519 4.228 9.626 1.00 0.00 N ATOM 923 CA GLY A 63 7.588 3.867 8.713 1.00 0.00 C ATOM 924 C GLY A 63 7.169 3.976 7.260 1.00 0.00 C ATOM 925 O GLY A 63 6.014 4.275 6.960 1.00 0.00 O ATOM 0 H GLY A 63 5.661 3.688 9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.447 4.514 8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.910 2.846 8.920 1.00 0.00 H new ATOM 929 N ASN A 64 8.111 3.734 6.355 1.00 0.00 N ATOM 930 CA ASN A 64 7.835 3.809 4.925 1.00 0.00 C ATOM 931 C ASN A 64 6.818 4.906 4.624 1.00 0.00 C ATOM 932 O ASN A 64 5.818 4.671 3.945 1.00 0.00 O ATOM 933 CB ASN A 64 7.317 2.463 4.413 1.00 0.00 C ATOM 934 CG ASN A 64 7.988 2.040 3.120 1.00 0.00 C ATOM 935 OD1 ASN A 64 8.648 2.841 2.460 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.818 0.775 2.753 1.00 0.00 N ATOM 0 H ASN A 64 9.073 3.484 6.586 1.00 0.00 H new ATOM 0 HA ASN A 64 8.766 4.051 4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.484 1.699 5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.240 2.527 4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.244 0.432 1.892 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.262 0.146 3.332 1.00 0.00 H new ATOM 943 N LYS A 65 7.080 6.104 5.134 1.00 0.00 N ATOM 944 CA LYS A 65 6.190 7.239 4.919 1.00 0.00 C ATOM 945 C LYS A 65 6.746 8.173 3.851 1.00 0.00 C ATOM 946 O LYS A 65 7.178 9.287 4.150 1.00 0.00 O ATOM 947 CB LYS A 65 5.984 8.007 6.227 1.00 0.00 C ATOM 948 CG LYS A 65 4.673 8.770 6.285 1.00 0.00 C ATOM 949 CD LYS A 65 4.716 9.875 7.328 1.00 0.00 C ATOM 950 CE LYS A 65 4.662 11.252 6.683 1.00 0.00 C ATOM 951 NZ LYS A 65 5.984 11.657 6.130 1.00 0.00 N ATOM 0 H LYS A 65 7.902 6.315 5.700 1.00 0.00 H new ATOM 0 HA LYS A 65 5.230 6.855 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.023 7.305 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.808 8.707 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.458 9.200 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.860 8.082 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.878 9.761 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.628 9.784 7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.919 11.251 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.336 11.986 7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.877 12.535 5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.653 11.815 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.346 10.905 5.510 1.00 0.00 H new ATOM 965 N ASP A 66 6.733 7.714 2.605 1.00 0.00 N ATOM 966 CA ASP A 66 7.235 8.510 1.490 1.00 0.00 C ATOM 967 C ASP A 66 6.105 8.881 0.535 1.00 0.00 C ATOM 968 O ASP A 66 6.162 9.907 -0.141 1.00 0.00 O ATOM 969 CB ASP A 66 8.325 7.745 0.739 1.00 0.00 C ATOM 970 CG ASP A 66 9.624 8.522 0.653 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.661 7.910 0.321 1.00 0.00 O ATOM 972 OD2 ASP A 66 9.603 9.742 0.916 1.00 0.00 O ATOM 0 H ASP A 66 6.380 6.794 2.341 1.00 0.00 H new ATOM 0 HA ASP A 66 7.661 9.429 1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.507 6.793 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.975 7.515 -0.267 1.00 0.00 H new ATOM 977 N GLY A 67 5.078 8.037 0.485 1.00 0.00 N ATOM 978 CA GLY A 67 3.950 8.293 -0.392 1.00 0.00 C ATOM 979 C GLY A 67 3.223 7.023 -0.786 1.00 0.00 C ATOM 980 O GLY A 67 3.077 6.726 -1.972 1.00 0.00 O ATOM 0 H GLY A 67 5.007 7.181 1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.253 8.968 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.300 8.801 -1.290 1.00 0.00 H new ATOM 984 N SER A 68 2.768 6.269 0.209 1.00 0.00 N ATOM 985 CA SER A 68 2.057 5.020 -0.040 1.00 0.00 C ATOM 986 C SER A 68 1.564 4.406 1.266 1.00 0.00 C ATOM 987 O SER A 68 0.465 4.710 1.733 1.00 0.00 O ATOM 988 CB SER A 68 2.964 4.030 -0.772 1.00 0.00 C ATOM 989 OG SER A 68 2.595 2.693 -0.486 1.00 0.00 O ATOM 0 H SER A 68 2.879 6.501 1.196 1.00 0.00 H new ATOM 0 HA SER A 68 1.193 5.241 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.906 4.205 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.000 4.195 -0.478 1.00 0.00 H new ATOM 0 HG SER A 68 3.189 2.080 -0.967 1.00 0.00 H new ATOM 995 N LEU A 69 2.384 3.540 1.852 1.00 0.00 N ATOM 996 CA LEU A 69 2.032 2.882 3.106 1.00 0.00 C ATOM 997 C LEU A 69 3.235 2.149 3.692 1.00 0.00 C ATOM 998 O LEU A 69 4.349 2.256 3.178 1.00 0.00 O ATOM 999 CB LEU A 69 0.881 1.900 2.883 1.00 0.00 C ATOM 1000 CG LEU A 69 1.075 0.881 1.759 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.483 1.402 0.458 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.551 0.556 1.583 1.00 0.00 C ATOM 0 H LEU A 69 3.296 3.277 1.479 1.00 0.00 H new ATOM 0 HA LEU A 69 1.716 3.648 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.708 1.357 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.023 2.472 2.675 1.00 0.00 H new ATOM 0 HG LEU A 69 0.552 -0.036 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.630 0.664 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.584 1.583 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.977 2.333 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.670 -0.171 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.097 1.466 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.945 0.139 2.510 1.00 0.00 H new ATOM 1014 N GLN A 70 3.001 1.404 4.767 1.00 0.00 N ATOM 1015 CA GLN A 70 4.065 0.652 5.421 1.00 0.00 C ATOM 1016 C GLN A 70 3.702 -0.825 5.529 1.00 0.00 C ATOM 1017 O GLN A 70 2.527 -1.191 5.489 1.00 0.00 O ATOM 1018 CB GLN A 70 4.341 1.224 6.813 1.00 0.00 C ATOM 1019 CG GLN A 70 5.459 0.510 7.553 1.00 0.00 C ATOM 1020 CD GLN A 70 5.685 1.064 8.947 1.00 0.00 C ATOM 1021 OE1 GLN A 70 4.978 1.971 9.388 1.00 0.00 O ATOM 1022 NE2 GLN A 70 6.671 0.520 9.648 1.00 0.00 N ATOM 0 H GLN A 70 2.084 1.305 5.203 1.00 0.00 H new ATOM 0 HA GLN A 70 4.965 0.742 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.595 2.280 6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.429 1.167 7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.223 -0.552 7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.382 0.595 6.979 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.232 -0.230 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.869 0.851 10.592 1.00 0.00 H new ATOM 1031 N CYS A 71 4.717 -1.670 5.665 1.00 0.00 N ATOM 1032 CA CYS A 71 4.505 -3.109 5.777 1.00 0.00 C ATOM 1033 C CYS A 71 4.688 -3.574 7.219 1.00 0.00 C ATOM 1034 O CYS A 71 5.806 -3.689 7.723 1.00 0.00 O ATOM 1035 CB CYS A 71 5.473 -3.861 4.860 1.00 0.00 C ATOM 1036 SG CYS A 71 5.486 -5.664 5.113 1.00 0.00 S ATOM 0 H CYS A 71 5.695 -1.384 5.700 1.00 0.00 H new ATOM 0 HA CYS A 71 3.482 -3.326 5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.211 -3.652 3.823 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.480 -3.475 5.018 1.00 0.00 H new ATOM 0 HG CYS A 71 6.133 -6.234 4.140 1.00 0.00 H new ATOM 1041 N PRO A 72 3.566 -3.848 7.899 1.00 0.00 N ATOM 1042 CA PRO A 72 3.575 -4.307 9.291 1.00 0.00 C ATOM 1043 C PRO A 72 4.122 -5.723 9.432 1.00 0.00 C ATOM 1044 O PRO A 72 4.411 -6.180 10.538 1.00 0.00 O ATOM 1045 CB PRO A 72 2.097 -4.262 9.690 1.00 0.00 C ATOM 1046 CG PRO A 72 1.355 -4.407 8.406 1.00 0.00 C ATOM 1047 CD PRO A 72 2.200 -3.733 7.361 1.00 0.00 C ATOM 0 HA PRO A 72 4.219 -3.691 9.918 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.849 -5.066 10.384 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.849 -3.324 10.187 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.198 -5.458 8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.370 -3.944 8.470 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.107 -4.223 6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.910 -2.692 7.220 1.00 0.00 H new ATOM 1055 N SER A 73 4.263 -6.412 8.305 1.00 0.00 N ATOM 1056 CA SER A 73 4.773 -7.779 8.303 1.00 0.00 C ATOM 1057 C SER A 73 6.259 -7.805 8.647 1.00 0.00 C ATOM 1058 O SER A 73 6.677 -8.465 9.599 1.00 0.00 O ATOM 1059 CB SER A 73 4.543 -8.429 6.937 1.00 0.00 C ATOM 1060 OG SER A 73 3.679 -9.547 7.045 1.00 0.00 O ATOM 0 H SER A 73 4.032 -6.047 7.381 1.00 0.00 H new ATOM 0 HA SER A 73 4.232 -8.344 9.062 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.114 -7.699 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.498 -8.742 6.514 1.00 0.00 H new ATOM 0 HG SER A 73 3.546 -9.944 6.159 1.00 0.00 H new ATOM 1066 N CYS A 74 7.053 -7.080 7.866 1.00 0.00 N ATOM 1067 CA CYS A 74 8.493 -7.018 8.087 1.00 0.00 C ATOM 1068 C CYS A 74 8.966 -5.572 8.189 1.00 0.00 C ATOM 1069 O CYS A 74 10.098 -5.249 7.827 1.00 0.00 O ATOM 1070 CB CYS A 74 9.235 -7.730 6.952 1.00 0.00 C ATOM 1071 SG CYS A 74 9.287 -6.788 5.393 1.00 0.00 S ATOM 0 H CYS A 74 6.724 -6.527 7.075 1.00 0.00 H new ATOM 0 HA CYS A 74 8.713 -7.521 9.029 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.256 -7.937 7.273 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.757 -8.692 6.767 1.00 0.00 H new ATOM 0 HG CYS A 74 9.846 -5.633 5.602 1.00 0.00 H new ATOM 1076 N LYS A 75 8.092 -4.703 8.686 1.00 0.00 N ATOM 1077 CA LYS A 75 8.419 -3.291 8.840 1.00 0.00 C ATOM 1078 C LYS A 75 9.147 -2.763 7.607 1.00 0.00 C ATOM 1079 O LYS A 75 10.177 -2.099 7.718 1.00 0.00 O ATOM 1080 CB LYS A 75 9.283 -3.078 10.084 1.00 0.00 C ATOM 1081 CG LYS A 75 8.525 -3.257 11.388 1.00 0.00 C ATOM 1082 CD LYS A 75 8.935 -4.535 12.100 1.00 0.00 C ATOM 1083 CE LYS A 75 8.883 -4.372 13.612 1.00 0.00 C ATOM 1084 NZ LYS A 75 9.529 -5.515 14.315 1.00 0.00 N ATOM 0 H LYS A 75 7.151 -4.953 8.989 1.00 0.00 H new ATOM 0 HA LYS A 75 7.486 -2.739 8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.119 -3.778 10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.707 -2.074 10.054 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.710 -2.402 12.038 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.454 -3.279 11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.276 -5.349 11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.944 -4.814 11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.380 -3.444 13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.845 -4.288 13.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.473 -5.367 15.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.039 -6.398 14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.527 -5.580 14.028 1.00 0.00 H new ATOM 1098 N THR A 76 8.603 -3.063 6.431 1.00 0.00 N ATOM 1099 CA THR A 76 9.200 -2.620 5.178 1.00 0.00 C ATOM 1100 C THR A 76 8.467 -1.406 4.618 1.00 0.00 C ATOM 1101 O THR A 76 7.991 -0.581 5.395 1.00 0.00 O ATOM 1102 CB THR A 76 9.191 -3.743 4.123 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.434 -4.453 4.152 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.958 -3.175 2.730 1.00 0.00 C ATOM 0 H THR A 76 7.750 -3.611 6.321 1.00 0.00 H new ATOM 0 HA THR A 76 10.232 -2.348 5.399 1.00 0.00 H new ATOM 0 HB THR A 76 8.377 -4.428 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.264 -5.413 4.056 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.956 -3.986 2.002 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.998 -2.660 2.703 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.754 -2.471 2.486 1.00 0.00 H new