USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=23 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 59 MET CE :methyl 169:sc= -1.44 (180deg=-1.34) USER MOD Set 1.2: A 70 GLN : amide:sc= -1.42! C(o=-2.9!,f=-11!) USER MOD Set 2.1: A 14 CYS SG : rot 148:sc= 0.233 USER MOD Set 2.2: A 17 CYS SG : rot -54:sc= -1.26 USER MOD Set 2.3: A 25 SER OG : rot -93:sc= 0.353 USER MOD Set 2.4: A 52 HIS : no HD1:sc= -2.16 K(o=-2.3,f=-6.2) USER MOD Set 2.5: A 55 CYS SG : rot -10:sc= 0.511 USER MOD Set 3.1: A 47 CYS SG : rot -50:sc= -4.76! USER MOD Set 3.2: A 49 HIS : no HD1:sc= -11.8! C(o=-17!,f=-17!) USER MOD Set 3.3: A 71 CYS SG : rot 173:sc= -0.0947 USER MOD Set 3.4: A 74 CYS SG : rot -46:sc= 0.022 USER MOD Set 3.5: A 76 THR OG1 : rot 38:sc= 0.00104 USER MOD Single : A 3 THR OG1 : rot -110:sc= -0.433 USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00474) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -60:sc= 1.57 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0981 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -76:sc= 0.0384 USER MOD Single : A 38 SER OG : rot 12:sc= 1.22 USER MOD Single : A 43 HIS : no HD1:sc= -14! C(o=-14!,f=-15!) 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 60 TYR OH : rot -150:sc= -0.0825 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.0134 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -8.28! C(o=-8.3!,f=-16!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 7:sc= 1.21 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 3.724 -0.674 -4.309 1.00 0.00 N ATOM 37 CA THR A 3 2.726 -1.721 -4.489 1.00 0.00 C ATOM 38 C THR A 3 1.888 -1.474 -5.738 1.00 0.00 C ATOM 39 O THR A 3 1.545 -0.335 -6.050 1.00 0.00 O ATOM 40 CB THR A 3 1.791 -1.819 -3.269 1.00 0.00 C ATOM 41 OG1 THR A 3 0.460 -1.441 -3.639 1.00 0.00 O ATOM 42 CG2 THR A 3 2.280 -0.928 -2.138 1.00 0.00 C ATOM 0 HA THR A 3 3.269 -2.660 -4.600 1.00 0.00 H new ATOM 0 HB THR A 3 1.792 -2.852 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.236 -0.582 -3.224 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.603 -1.015 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.281 -1.238 -1.838 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.307 0.108 -2.476 1.00 0.00 H new ATOM 50 N GLU A 4 1.564 -2.550 -6.450 1.00 0.00 N ATOM 51 CA GLU A 4 0.766 -2.448 -7.666 1.00 0.00 C ATOM 52 C GLU A 4 -0.671 -2.894 -7.413 1.00 0.00 C ATOM 53 O GLU A 4 -0.969 -4.089 -7.410 1.00 0.00 O ATOM 54 CB GLU A 4 1.386 -3.294 -8.780 1.00 0.00 C ATOM 55 CG GLU A 4 0.630 -3.214 -10.096 1.00 0.00 C ATOM 56 CD GLU A 4 0.902 -4.401 -10.998 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.505 -5.385 -10.519 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.514 -4.348 -12.184 1.00 0.00 O ATOM 0 H GLU A 4 1.842 -3.501 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 4 0.754 -1.403 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.414 -2.971 -8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.426 -4.334 -8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.439 -3.154 -9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.908 -2.297 -10.615 1.00 0.00 H new ATOM 65 N GLU A 5 -1.556 -1.926 -7.199 1.00 0.00 N ATOM 66 CA GLU A 5 -2.961 -2.220 -6.943 1.00 0.00 C ATOM 67 C GLU A 5 -3.419 -3.435 -7.746 1.00 0.00 C ATOM 68 O GLU A 5 -3.546 -3.371 -8.970 1.00 0.00 O ATOM 69 CB GLU A 5 -3.830 -1.009 -7.291 1.00 0.00 C ATOM 70 CG GLU A 5 -5.110 -0.924 -6.476 1.00 0.00 C ATOM 71 CD GLU A 5 -5.744 0.452 -6.528 1.00 0.00 C ATOM 72 OE1 GLU A 5 -4.996 1.451 -6.488 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.987 0.531 -6.608 1.00 0.00 O ATOM 0 H GLU A 5 -1.325 -0.932 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.070 -2.445 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.250 -0.099 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.085 -1.048 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.822 -1.662 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.894 -1.181 -5.439 1.00 0.00 H new ATOM 80 N LEU A 6 -3.662 -4.539 -7.050 1.00 0.00 N ATOM 81 CA LEU A 6 -4.105 -5.769 -7.697 1.00 0.00 C ATOM 82 C LEU A 6 -5.518 -5.615 -8.251 1.00 0.00 C ATOM 83 O LEU A 6 -5.991 -6.455 -9.017 1.00 0.00 O ATOM 84 CB LEU A 6 -4.057 -6.935 -6.708 1.00 0.00 C ATOM 85 CG LEU A 6 -3.108 -6.768 -5.520 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.976 -8.075 -4.755 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.744 -6.284 -5.990 1.00 0.00 C ATOM 0 H LEU A 6 -3.560 -4.608 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.430 -5.977 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.063 -7.101 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.771 -7.835 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.526 -6.018 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.297 -7.937 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.955 -8.381 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.581 -8.846 -5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.082 -6.171 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.319 -7.011 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.852 -5.323 -6.493 1.00 0.00 H new ATOM 99 N LYS A 7 -6.187 -4.537 -7.859 1.00 0.00 N ATOM 100 CA LYS A 7 -7.545 -4.270 -8.317 1.00 0.00 C ATOM 101 C LYS A 7 -8.514 -5.325 -7.794 1.00 0.00 C ATOM 102 O LYS A 7 -9.694 -5.327 -8.145 1.00 0.00 O ATOM 103 CB LYS A 7 -7.591 -4.234 -9.847 1.00 0.00 C ATOM 104 CG LYS A 7 -8.766 -3.448 -10.403 1.00 0.00 C ATOM 105 CD LYS A 7 -8.307 -2.179 -11.101 1.00 0.00 C ATOM 106 CE LYS A 7 -8.071 -1.051 -10.108 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.649 -0.984 -9.674 1.00 0.00 N ATOM 0 H LYS A 7 -5.810 -3.833 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.849 -3.299 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.664 -3.798 -10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.637 -5.255 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.322 -4.070 -11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.450 -3.192 -9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.388 -2.378 -11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.057 -1.872 -11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.358 -0.102 -10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.710 -1.194 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.522 -0.182 -9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.392 -1.867 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.038 -0.856 -10.506 1.00 0.00 H new ATOM 121 N VAL A 8 -8.008 -6.221 -6.953 1.00 0.00 N ATOM 122 CA VAL A 8 -8.829 -7.280 -6.379 1.00 0.00 C ATOM 123 C VAL A 8 -8.066 -8.048 -5.306 1.00 0.00 C ATOM 124 O VAL A 8 -6.846 -7.936 -5.176 1.00 0.00 O ATOM 125 CB VAL A 8 -9.307 -8.268 -7.459 1.00 0.00 C ATOM 126 CG1 VAL A 8 -10.783 -8.060 -7.758 1.00 0.00 C ATOM 127 CG2 VAL A 8 -8.472 -8.120 -8.722 1.00 0.00 C ATOM 0 H VAL A 8 -7.033 -6.235 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.696 -6.798 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.178 -9.282 -7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.102 -8.767 -8.523 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.364 -8.221 -6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.942 -7.043 -8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.823 -8.826 -9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.568 -7.104 -9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.426 -8.325 -8.493 1.00 0.00 H new ATOM 137 N PRO A 9 -8.797 -8.848 -4.517 1.00 0.00 N ATOM 138 CA PRO A 9 -8.208 -9.651 -3.441 1.00 0.00 C ATOM 139 C PRO A 9 -7.353 -10.796 -3.974 1.00 0.00 C ATOM 140 O PRO A 9 -7.761 -11.549 -4.858 1.00 0.00 O ATOM 141 CB PRO A 9 -9.431 -10.198 -2.698 1.00 0.00 C ATOM 142 CG PRO A 9 -10.520 -10.206 -3.714 1.00 0.00 C ATOM 143 CD PRO A 9 -10.255 -9.031 -4.614 1.00 0.00 C ATOM 0 HA PRO A 9 -7.538 -9.064 -2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.244 -11.200 -2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.690 -9.570 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.520 -11.138 -4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.497 -10.121 -3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.567 -9.232 -5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.794 -8.143 -4.284 1.00 0.00 H new ATOM 151 N PRO A 10 -6.137 -10.931 -3.424 1.00 0.00 N ATOM 152 CA PRO A 10 -5.199 -11.982 -3.828 1.00 0.00 C ATOM 153 C PRO A 10 -5.658 -13.369 -3.391 1.00 0.00 C ATOM 154 O PRO A 10 -6.383 -14.050 -4.116 1.00 0.00 O ATOM 155 CB PRO A 10 -3.903 -11.597 -3.109 1.00 0.00 C ATOM 156 CG PRO A 10 -4.346 -10.803 -1.930 1.00 0.00 C ATOM 157 CD PRO A 10 -5.584 -10.069 -2.366 1.00 0.00 C ATOM 0 HA PRO A 10 -5.100 -12.044 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.342 -12.480 -2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.249 -11.013 -3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.556 -11.452 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.570 -10.106 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.287 -9.942 -1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.349 -9.073 -2.741 1.00 0.00 H new ATOM 165 N ASP A 11 -5.232 -13.781 -2.202 1.00 0.00 N ATOM 166 CA ASP A 11 -5.601 -15.086 -1.668 1.00 0.00 C ATOM 167 C ASP A 11 -4.878 -15.360 -0.353 1.00 0.00 C ATOM 168 O ASP A 11 -4.238 -16.399 -0.190 1.00 0.00 O ATOM 169 CB ASP A 11 -5.278 -16.186 -2.680 1.00 0.00 C ATOM 170 CG ASP A 11 -3.868 -16.074 -3.226 1.00 0.00 C ATOM 171 OD1 ASP A 11 -3.700 -16.170 -4.461 1.00 0.00 O ATOM 172 OD2 ASP A 11 -2.933 -15.889 -2.420 1.00 0.00 O ATOM 0 H ASP A 11 -4.631 -13.230 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.674 -15.082 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.405 -17.160 -2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.989 -16.137 -3.505 1.00 0.00 H new ATOM 177 N GLU A 12 -4.983 -14.420 0.582 1.00 0.00 N ATOM 178 CA GLU A 12 -4.336 -14.559 1.881 1.00 0.00 C ATOM 179 C GLU A 12 -5.202 -13.961 2.986 1.00 0.00 C ATOM 180 O GLU A 12 -6.124 -14.607 3.486 1.00 0.00 O ATOM 181 CB GLU A 12 -2.964 -13.882 1.868 1.00 0.00 C ATOM 182 CG GLU A 12 -1.936 -14.606 1.016 1.00 0.00 C ATOM 183 CD GLU A 12 -1.774 -13.981 -0.358 1.00 0.00 C ATOM 184 OE1 GLU A 12 -2.370 -12.910 -0.595 1.00 0.00 O ATOM 185 OE2 GLU A 12 -1.051 -14.563 -1.192 1.00 0.00 O ATOM 0 H GLU A 12 -5.510 -13.555 0.464 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.205 -15.622 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.075 -12.862 1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.593 -13.813 2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.975 -14.600 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.232 -15.649 0.904 1.00 0.00 H new ATOM 192 N ASP A 13 -4.897 -12.724 3.363 1.00 0.00 N ATOM 193 CA ASP A 13 -5.647 -12.037 4.409 1.00 0.00 C ATOM 194 C ASP A 13 -4.833 -10.888 4.995 1.00 0.00 C ATOM 195 O ASP A 13 -3.611 -10.981 5.125 1.00 0.00 O ATOM 196 CB ASP A 13 -6.037 -13.020 5.515 1.00 0.00 C ATOM 197 CG ASP A 13 -7.459 -13.522 5.368 1.00 0.00 C ATOM 198 OD1 ASP A 13 -8.031 -13.372 4.268 1.00 0.00 O ATOM 199 OD2 ASP A 13 -8.001 -14.066 6.352 1.00 0.00 O ATOM 0 H ASP A 13 -4.136 -12.177 2.960 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.553 -11.626 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.352 -13.868 5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.924 -12.535 6.485 1.00 0.00 H new ATOM 204 N CYS A 14 -5.516 -9.805 5.348 1.00 0.00 N ATOM 205 CA CYS A 14 -4.857 -8.637 5.920 1.00 0.00 C ATOM 206 C CYS A 14 -4.009 -9.026 7.127 1.00 0.00 C ATOM 207 O CYS A 14 -4.231 -10.070 7.743 1.00 0.00 O ATOM 208 CB CYS A 14 -5.895 -7.589 6.329 1.00 0.00 C ATOM 209 SG CYS A 14 -5.181 -5.984 6.810 1.00 0.00 S ATOM 0 H CYS A 14 -6.527 -9.712 5.248 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.201 -8.213 5.160 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.585 -7.434 5.500 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.480 -7.979 7.162 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.005 -5.030 6.493 1.00 0.00 H new ATOM 214 N ILE A 15 -3.038 -8.182 7.458 1.00 0.00 N ATOM 215 CA ILE A 15 -2.158 -8.437 8.591 1.00 0.00 C ATOM 216 C ILE A 15 -2.384 -7.419 9.703 1.00 0.00 C ATOM 217 O ILE A 15 -2.005 -7.646 10.852 1.00 0.00 O ATOM 218 CB ILE A 15 -0.676 -8.403 8.172 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.556 -8.270 6.652 1.00 0.00 C ATOM 220 CG2 ILE A 15 0.042 -9.652 8.659 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.859 -8.427 6.142 1.00 0.00 C ATOM 0 H ILE A 15 -2.841 -7.315 6.957 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.400 -9.434 8.960 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.204 -7.535 8.632 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.190 -9.020 6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.937 -7.294 6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.088 -9.612 8.355 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.018 -9.706 9.746 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.429 -10.535 8.226 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.869 -8.321 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.493 -7.661 6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.236 -9.413 6.414 1.00 0.00 H new ATOM 233 N ILE A 16 -3.005 -6.297 9.354 1.00 0.00 N ATOM 234 CA ILE A 16 -3.285 -5.245 10.323 1.00 0.00 C ATOM 235 C ILE A 16 -4.568 -5.536 11.094 1.00 0.00 C ATOM 236 O ILE A 16 -4.533 -5.855 12.282 1.00 0.00 O ATOM 237 CB ILE A 16 -3.408 -3.870 9.642 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.088 -3.492 8.966 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.813 -2.811 10.656 1.00 0.00 C ATOM 240 CD1 ILE A 16 -2.134 -2.154 8.261 1.00 0.00 C ATOM 0 H ILE A 16 -3.324 -6.093 8.407 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.444 -5.223 11.017 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.183 -3.927 8.877 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.297 -3.472 9.716 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.824 -4.265 8.245 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.896 -1.844 10.159 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.774 -3.077 11.095 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.059 -2.752 11.441 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.166 -1.950 7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.902 -2.176 7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.368 -1.371 8.982 1.00 0.00 H new ATOM 252 N CYS A 17 -5.701 -5.423 10.409 1.00 0.00 N ATOM 253 CA CYS A 17 -6.997 -5.674 11.028 1.00 0.00 C ATOM 254 C CYS A 17 -7.297 -7.169 11.074 1.00 0.00 C ATOM 255 O CYS A 17 -8.370 -7.585 11.511 1.00 0.00 O ATOM 256 CB CYS A 17 -8.102 -4.945 10.261 1.00 0.00 C ATOM 257 SG CYS A 17 -8.544 -5.724 8.674 1.00 0.00 S ATOM 0 H CYS A 17 -5.748 -5.159 9.425 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.963 -5.296 12.050 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.992 -4.893 10.888 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.784 -3.919 10.074 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.475 -5.865 7.947 1.00 0.00 H new ATOM 262 N MET A 18 -6.342 -7.973 10.621 1.00 0.00 N ATOM 263 CA MET A 18 -6.502 -9.423 10.612 1.00 0.00 C ATOM 264 C MET A 18 -7.895 -9.813 10.127 1.00 0.00 C ATOM 265 O MET A 18 -8.688 -10.378 10.879 1.00 0.00 O ATOM 266 CB MET A 18 -6.259 -9.993 12.010 1.00 0.00 C ATOM 267 CG MET A 18 -4.861 -10.561 12.201 1.00 0.00 C ATOM 268 SD MET A 18 -4.827 -11.954 13.344 1.00 0.00 S ATOM 269 CE MET A 18 -3.778 -13.099 12.452 1.00 0.00 C ATOM 0 H MET A 18 -5.448 -7.645 10.255 1.00 0.00 H new ATOM 0 HA MET A 18 -5.766 -9.840 9.924 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.427 -9.208 12.748 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.991 -10.777 12.206 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.467 -10.879 11.236 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.202 -9.776 12.571 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.661 -14.014 13.033 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.233 -13.336 11.490 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.800 -12.645 12.289 1.00 0.00 H new ATOM 279 N GLU A 19 -8.185 -9.505 8.866 1.00 0.00 N ATOM 280 CA GLU A 19 -9.483 -9.823 8.283 1.00 0.00 C ATOM 281 C GLU A 19 -9.325 -10.361 6.864 1.00 0.00 C ATOM 282 O GLU A 19 -8.211 -10.600 6.398 1.00 0.00 O ATOM 283 CB GLU A 19 -10.380 -8.583 8.274 1.00 0.00 C ATOM 284 CG GLU A 19 -10.757 -8.093 9.662 1.00 0.00 C ATOM 285 CD GLU A 19 -12.136 -8.555 10.090 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.295 -9.761 10.374 1.00 0.00 O ATOM 287 OE2 GLU A 19 -13.056 -7.713 10.140 1.00 0.00 O ATOM 0 H GLU A 19 -7.540 -9.037 8.230 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.949 -10.595 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.870 -7.780 7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.290 -8.808 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.019 -8.449 10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.721 -7.004 9.681 1.00 0.00 H new ATOM 294 N LYS A 20 -10.449 -10.548 6.180 1.00 0.00 N ATOM 295 CA LYS A 20 -10.438 -11.057 4.814 1.00 0.00 C ATOM 296 C LYS A 20 -9.949 -9.990 3.840 1.00 0.00 C ATOM 297 O LYS A 20 -10.514 -8.898 3.763 1.00 0.00 O ATOM 298 CB LYS A 20 -11.837 -11.527 4.411 1.00 0.00 C ATOM 299 CG LYS A 20 -12.108 -12.984 4.741 1.00 0.00 C ATOM 300 CD LYS A 20 -13.594 -13.301 4.688 1.00 0.00 C ATOM 301 CE LYS A 20 -13.857 -14.779 4.928 1.00 0.00 C ATOM 302 NZ LYS A 20 -15.088 -15.244 4.230 1.00 0.00 N ATOM 0 H LYS A 20 -11.380 -10.354 6.550 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.752 -11.903 4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.578 -10.906 4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.967 -11.376 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.573 -13.623 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.722 -13.211 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.120 -12.710 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.994 -13.012 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.002 -15.361 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.955 -14.961 5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.232 -16.257 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.908 -14.707 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.984 -15.094 3.206 1.00 0.00 H new ATOM 316 N LEU A 21 -8.895 -10.312 3.097 1.00 0.00 N ATOM 317 CA LEU A 21 -8.331 -9.382 2.127 1.00 0.00 C ATOM 318 C LEU A 21 -9.378 -8.962 1.100 1.00 0.00 C ATOM 319 O LEU A 21 -9.169 -8.022 0.333 1.00 0.00 O ATOM 320 CB LEU A 21 -7.133 -10.017 1.418 1.00 0.00 C ATOM 321 CG LEU A 21 -5.754 -9.657 1.976 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.659 -10.339 1.171 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.557 -8.148 1.977 1.00 0.00 C ATOM 0 H LEU A 21 -8.415 -11.210 3.149 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.999 -8.494 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.246 -11.100 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.164 -9.729 0.367 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.695 -10.012 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.685 -10.072 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.790 -11.420 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.716 -10.015 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.571 -7.910 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.636 -7.770 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.322 -7.682 2.597 1.00 0.00 H new ATOM 335 N SER A 22 -10.508 -9.663 1.095 1.00 0.00 N ATOM 336 CA SER A 22 -11.588 -9.364 0.163 1.00 0.00 C ATOM 337 C SER A 22 -12.601 -8.412 0.791 1.00 0.00 C ATOM 338 O SER A 22 -13.090 -7.488 0.141 1.00 0.00 O ATOM 339 CB SER A 22 -12.286 -10.655 -0.273 1.00 0.00 C ATOM 340 OG SER A 22 -13.504 -10.375 -0.939 1.00 0.00 O ATOM 0 H SER A 22 -10.699 -10.441 1.726 1.00 0.00 H new ATOM 0 HA SER A 22 -11.155 -8.879 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.629 -11.223 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.480 -11.280 0.599 1.00 0.00 H new ATOM 0 HG SER A 22 -13.930 -11.215 -1.209 1.00 0.00 H new ATOM 346 N THR A 23 -12.912 -8.645 2.063 1.00 0.00 N ATOM 347 CA THR A 23 -13.866 -7.810 2.781 1.00 0.00 C ATOM 348 C THR A 23 -13.510 -6.333 2.654 1.00 0.00 C ATOM 349 O THR A 23 -13.973 -5.650 1.741 1.00 0.00 O ATOM 350 CB THR A 23 -13.929 -8.184 4.274 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.610 -8.192 4.833 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.572 -9.550 4.462 1.00 0.00 C ATOM 0 H THR A 23 -12.517 -9.405 2.616 1.00 0.00 H new ATOM 0 HA THR A 23 -14.842 -7.986 2.328 1.00 0.00 H new ATOM 0 HB THR A 23 -14.537 -7.439 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.058 -8.849 4.360 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.606 -9.793 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.585 -9.533 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.986 -10.304 3.936 1.00 0.00 H new ATOM 360 N ALA A 24 -12.685 -5.847 3.576 1.00 0.00 N ATOM 361 CA ALA A 24 -12.265 -4.452 3.564 1.00 0.00 C ATOM 362 C ALA A 24 -11.438 -4.117 4.802 1.00 0.00 C ATOM 363 O ALA A 24 -11.338 -4.921 5.729 1.00 0.00 O ATOM 364 CB ALA A 24 -13.477 -3.535 3.474 1.00 0.00 C ATOM 0 H ALA A 24 -12.295 -6.399 4.340 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.639 -4.295 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.147 -2.496 3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.027 -3.748 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.125 -3.703 4.334 1.00 0.00 H new ATOM 370 N SER A 25 -10.847 -2.927 4.808 1.00 0.00 N ATOM 371 CA SER A 25 -10.024 -2.489 5.930 1.00 0.00 C ATOM 372 C SER A 25 -10.877 -2.266 7.175 1.00 0.00 C ATOM 373 O SER A 25 -11.807 -1.461 7.169 1.00 0.00 O ATOM 374 CB SER A 25 -9.280 -1.200 5.571 1.00 0.00 C ATOM 375 OG SER A 25 -8.885 -0.498 6.737 1.00 0.00 O ATOM 0 H SER A 25 -10.922 -2.249 4.050 1.00 0.00 H new ATOM 0 HA SER A 25 -9.298 -3.273 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.402 -1.438 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.921 -0.565 4.960 1.00 0.00 H new ATOM 0 HG SER A 25 -9.573 0.159 6.972 1.00 0.00 H new ATOM 381 N GLY A 26 -10.554 -2.988 8.244 1.00 0.00 N ATOM 382 CA GLY A 26 -11.298 -2.856 9.482 1.00 0.00 C ATOM 383 C GLY A 26 -11.054 -1.526 10.167 1.00 0.00 C ATOM 384 O GLY A 26 -11.698 -1.208 11.167 1.00 0.00 O ATOM 0 H GLY A 26 -9.789 -3.662 8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.363 -2.965 9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.020 -3.665 10.157 1.00 0.00 H new ATOM 388 N TYR A 27 -10.121 -0.748 9.630 1.00 0.00 N ATOM 389 CA TYR A 27 -9.790 0.553 10.199 1.00 0.00 C ATOM 390 C TYR A 27 -10.614 1.658 9.546 1.00 0.00 C ATOM 391 O TYR A 27 -10.643 2.792 10.025 1.00 0.00 O ATOM 392 CB TYR A 27 -8.298 0.843 10.026 1.00 0.00 C ATOM 393 CG TYR A 27 -7.411 0.007 10.922 1.00 0.00 C ATOM 394 CD1 TYR A 27 -6.053 0.278 11.036 1.00 0.00 C ATOM 395 CD2 TYR A 27 -7.930 -1.055 11.650 1.00 0.00 C ATOM 396 CE1 TYR A 27 -5.239 -0.484 11.851 1.00 0.00 C ATOM 397 CE2 TYR A 27 -7.124 -1.822 12.470 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.779 -1.533 12.567 1.00 0.00 C ATOM 399 OH TYR A 27 -4.971 -2.294 13.380 1.00 0.00 O ATOM 0 H TYR A 27 -9.580 -0.996 8.801 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.028 0.528 11.263 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.020 0.667 8.987 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.115 1.898 10.230 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.627 1.098 10.478 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.982 -1.286 11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.185 -0.260 11.928 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.545 -2.643 13.032 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.507 -2.991 13.814 1.00 0.00 H new ATOM 409 N SER A 28 -11.281 1.320 8.448 1.00 0.00 N ATOM 410 CA SER A 28 -12.103 2.283 7.725 1.00 0.00 C ATOM 411 C SER A 28 -12.963 3.095 8.690 1.00 0.00 C ATOM 412 O SER A 28 -13.351 4.225 8.392 1.00 0.00 O ATOM 413 CB SER A 28 -12.995 1.565 6.710 1.00 0.00 C ATOM 414 OG SER A 28 -14.294 2.131 6.682 1.00 0.00 O ATOM 0 H SER A 28 -11.268 0.386 8.039 1.00 0.00 H new ATOM 0 HA SER A 28 -11.438 2.965 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.546 1.627 5.719 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.061 0.507 6.964 1.00 0.00 H new ATOM 0 HG SER A 28 -14.844 1.656 6.025 1.00 0.00 H new ATOM 420 N ASP A 29 -13.258 2.510 9.846 1.00 0.00 N ATOM 421 CA ASP A 29 -14.070 3.177 10.855 1.00 0.00 C ATOM 422 C ASP A 29 -13.615 4.620 11.053 1.00 0.00 C ATOM 423 O ASP A 29 -14.430 5.542 11.076 1.00 0.00 O ATOM 424 CB ASP A 29 -13.997 2.421 12.182 1.00 0.00 C ATOM 425 CG ASP A 29 -15.214 1.548 12.419 1.00 0.00 C ATOM 426 OD1 ASP A 29 -16.298 1.887 11.900 1.00 0.00 O ATOM 427 OD2 ASP A 29 -15.081 0.525 13.122 1.00 0.00 O ATOM 0 H ASP A 29 -12.946 1.575 10.107 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.103 3.185 10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.101 1.801 12.195 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.902 3.136 12.999 1.00 0.00 H new ATOM 432 N VAL A 30 -12.307 4.808 11.195 1.00 0.00 N ATOM 433 CA VAL A 30 -11.743 6.138 11.391 1.00 0.00 C ATOM 434 C VAL A 30 -10.240 6.141 11.134 1.00 0.00 C ATOM 435 O VAL A 30 -9.440 6.013 12.062 1.00 0.00 O ATOM 436 CB VAL A 30 -12.010 6.658 12.816 1.00 0.00 C ATOM 437 CG1 VAL A 30 -13.193 7.614 12.823 1.00 0.00 C ATOM 438 CG2 VAL A 30 -12.247 5.497 13.770 1.00 0.00 C ATOM 0 H VAL A 30 -11.618 4.056 11.178 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.233 6.797 10.675 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.130 7.205 13.156 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -13.366 7.971 13.838 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.980 8.462 12.172 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -14.082 7.095 12.464 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.434 5.882 14.772 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.110 4.922 13.435 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.367 4.854 13.787 1.00 0.00 H new ATOM 448 N THR A 31 -9.861 6.288 9.869 1.00 0.00 N ATOM 449 CA THR A 31 -8.454 6.306 9.489 1.00 0.00 C ATOM 450 C THR A 31 -8.056 7.664 8.921 1.00 0.00 C ATOM 451 O THR A 31 -6.878 7.925 8.679 1.00 0.00 O ATOM 452 CB THR A 31 -8.138 5.215 8.449 1.00 0.00 C ATOM 453 OG1 THR A 31 -9.354 4.704 7.891 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.347 4.080 9.081 1.00 0.00 C ATOM 0 H THR A 31 -10.509 6.396 9.089 1.00 0.00 H new ATOM 0 HA THR A 31 -7.880 6.111 10.395 1.00 0.00 H new ATOM 0 HB THR A 31 -7.535 5.660 7.658 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.781 4.101 8.534 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.135 3.321 8.328 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.409 4.468 9.479 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.929 3.637 9.889 1.00 0.00 H new ATOM 517 N LEU A 36 -8.537 6.099 -0.374 1.00 0.00 N ATOM 518 CA LEU A 36 -8.122 4.829 -0.959 1.00 0.00 C ATOM 519 C LEU A 36 -9.331 3.954 -1.276 1.00 0.00 C ATOM 520 O LEU A 36 -9.208 2.923 -1.936 1.00 0.00 O ATOM 521 CB LEU A 36 -7.180 4.091 -0.007 1.00 0.00 C ATOM 522 CG LEU A 36 -5.768 4.666 0.119 1.00 0.00 C ATOM 523 CD1 LEU A 36 -5.752 5.832 1.095 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.790 3.586 0.558 1.00 0.00 C ATOM 0 HA LEU A 36 -7.596 5.041 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.635 4.077 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.101 3.055 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.457 5.034 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.739 6.228 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.422 6.614 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.083 5.490 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.791 4.013 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.098 3.188 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.780 2.783 -0.179 1.00 0.00 H new ATOM 536 N GLY A 37 -10.499 4.374 -0.801 1.00 0.00 N ATOM 537 CA GLY A 37 -11.714 3.619 -1.045 1.00 0.00 C ATOM 538 C GLY A 37 -11.905 2.490 -0.052 1.00 0.00 C ATOM 539 O GLY A 37 -12.956 1.850 -0.023 1.00 0.00 O ATOM 0 H GLY A 37 -10.626 5.224 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.571 4.291 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.687 3.210 -2.055 1.00 0.00 H new ATOM 543 N SER A 38 -10.886 2.244 0.764 1.00 0.00 N ATOM 544 CA SER A 38 -10.944 1.181 1.762 1.00 0.00 C ATOM 545 C SER A 38 -11.355 -0.142 1.121 1.00 0.00 C ATOM 546 O SER A 38 -12.457 -0.640 1.353 1.00 0.00 O ATOM 547 CB SER A 38 -11.926 1.550 2.875 1.00 0.00 C ATOM 548 OG SER A 38 -13.263 1.516 2.407 1.00 0.00 O ATOM 0 H SER A 38 -10.010 2.766 0.754 1.00 0.00 H new ATOM 0 HA SER A 38 -9.949 1.063 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.812 0.858 3.709 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.695 2.546 3.253 1.00 0.00 H new ATOM 0 HG SER A 38 -13.292 1.079 1.530 1.00 0.00 H new ATOM 554 N LEU A 39 -10.462 -0.704 0.315 1.00 0.00 N ATOM 555 CA LEU A 39 -10.732 -1.969 -0.360 1.00 0.00 C ATOM 556 C LEU A 39 -9.607 -2.320 -1.329 1.00 0.00 C ATOM 557 O LEU A 39 -9.357 -3.492 -1.608 1.00 0.00 O ATOM 558 CB LEU A 39 -12.063 -1.897 -1.111 1.00 0.00 C ATOM 559 CG LEU A 39 -12.165 -2.745 -2.378 1.00 0.00 C ATOM 560 CD1 LEU A 39 -12.219 -4.224 -2.028 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.386 -2.343 -3.192 1.00 0.00 C ATOM 0 H LEU A 39 -9.545 -0.305 0.113 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.792 -2.750 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.858 -2.200 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.251 -0.857 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.276 -2.568 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.292 -4.812 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.314 -4.503 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.090 -4.418 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.443 -2.957 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.286 -2.490 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.305 -1.293 -3.475 1.00 0.00 H new ATOM 573 N ALA A 40 -8.929 -1.295 -1.836 1.00 0.00 N ATOM 574 CA ALA A 40 -7.828 -1.494 -2.771 1.00 0.00 C ATOM 575 C ALA A 40 -6.734 -2.359 -2.152 1.00 0.00 C ATOM 576 O ALA A 40 -6.281 -2.102 -1.038 1.00 0.00 O ATOM 577 CB ALA A 40 -7.258 -0.154 -3.209 1.00 0.00 C ATOM 0 H ALA A 40 -9.123 -0.318 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.217 -2.014 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.437 -0.318 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.038 0.431 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.890 0.387 -2.337 1.00 0.00 H new ATOM 583 N VAL A 41 -6.316 -3.387 -2.884 1.00 0.00 N ATOM 584 CA VAL A 41 -5.275 -4.290 -2.408 1.00 0.00 C ATOM 585 C VAL A 41 -3.935 -3.982 -3.068 1.00 0.00 C ATOM 586 O VAL A 41 -3.835 -3.917 -4.293 1.00 0.00 O ATOM 587 CB VAL A 41 -5.640 -5.762 -2.679 1.00 0.00 C ATOM 588 CG1 VAL A 41 -5.175 -6.647 -1.534 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.139 -5.904 -2.899 1.00 0.00 C ATOM 0 H VAL A 41 -6.682 -3.615 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.192 -4.136 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.129 -6.086 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.442 -7.683 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.093 -6.565 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.656 -6.328 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.381 -6.950 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.671 -5.564 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.440 -5.300 -3.755 1.00 0.00 H new ATOM 599 N GLY A 42 -2.906 -3.793 -2.248 1.00 0.00 N ATOM 600 CA GLY A 42 -1.586 -3.493 -2.770 1.00 0.00 C ATOM 601 C GLY A 42 -0.538 -4.481 -2.298 1.00 0.00 C ATOM 602 O GLY A 42 -0.639 -5.028 -1.199 1.00 0.00 O ATOM 0 H GLY A 42 -2.963 -3.842 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.620 -3.497 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.297 -2.488 -2.464 1.00 0.00 H new ATOM 606 N HIS A 43 0.471 -4.715 -3.131 1.00 0.00 N ATOM 607 CA HIS A 43 1.542 -5.645 -2.793 1.00 0.00 C ATOM 608 C HIS A 43 2.904 -4.964 -2.887 1.00 0.00 C ATOM 609 O HIS A 43 3.493 -4.876 -3.966 1.00 0.00 O ATOM 610 CB HIS A 43 1.501 -6.860 -3.720 1.00 0.00 C ATOM 611 CG HIS A 43 1.668 -8.166 -3.004 1.00 0.00 C ATOM 612 ND1 HIS A 43 0.860 -9.258 -3.236 1.00 0.00 N ATOM 613 CD2 HIS A 43 2.557 -8.550 -2.059 1.00 0.00 C ATOM 614 CE1 HIS A 43 1.243 -10.259 -2.462 1.00 0.00 C ATOM 615 NE2 HIS A 43 2.272 -9.855 -1.739 1.00 0.00 N ATOM 0 H HIS A 43 0.569 -4.273 -4.045 1.00 0.00 H new ATOM 0 HA HIS A 43 1.392 -5.976 -1.765 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.551 -6.867 -4.255 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.287 -6.762 -4.469 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.344 -7.944 -1.635 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.792 -11.240 -2.427 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.774 -10.420 -1.054 1.00 0.00 H new ATOM 623 N LEU A 44 3.400 -4.483 -1.752 1.00 0.00 N ATOM 624 CA LEU A 44 4.691 -3.809 -1.706 1.00 0.00 C ATOM 625 C LEU A 44 5.781 -4.676 -2.327 1.00 0.00 C ATOM 626 O LEU A 44 6.432 -5.464 -1.639 1.00 0.00 O ATOM 627 CB LEU A 44 5.060 -3.465 -0.262 1.00 0.00 C ATOM 628 CG LEU A 44 5.238 -1.979 0.051 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.755 -1.669 1.459 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.693 -1.570 -0.118 1.00 0.00 C ATOM 0 H LEU A 44 2.926 -4.548 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 44 4.611 -2.888 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.286 -3.864 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.987 -3.982 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 44 4.636 -1.404 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.889 -0.607 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.699 -1.925 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.330 -2.253 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.801 -0.509 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.316 -2.152 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.006 -1.755 -1.146 1.00 0.00 H new ATOM 642 N THR A 45 5.978 -4.526 -3.634 1.00 0.00 N ATOM 643 CA THR A 45 6.988 -5.295 -4.349 1.00 0.00 C ATOM 644 C THR A 45 8.307 -5.314 -3.585 1.00 0.00 C ATOM 645 O THR A 45 9.146 -6.190 -3.794 1.00 0.00 O ATOM 646 CB THR A 45 7.234 -4.727 -5.759 1.00 0.00 C ATOM 647 OG1 THR A 45 8.035 -3.543 -5.679 1.00 0.00 O ATOM 648 CG2 THR A 45 5.917 -4.407 -6.450 1.00 0.00 C ATOM 0 H THR A 45 5.450 -3.878 -4.219 1.00 0.00 H new ATOM 0 HA THR A 45 6.606 -6.312 -4.437 1.00 0.00 H new ATOM 0 HB THR A 45 7.760 -5.482 -6.343 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.188 -3.190 -6.580 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.116 -4.007 -7.444 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.321 -5.316 -6.537 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.369 -3.668 -5.865 1.00 0.00 H new ATOM 656 N LYS A 46 8.485 -4.340 -2.697 1.00 0.00 N ATOM 657 CA LYS A 46 9.701 -4.245 -1.899 1.00 0.00 C ATOM 658 C LYS A 46 10.032 -5.585 -1.250 1.00 0.00 C ATOM 659 O LYS A 46 11.176 -6.041 -1.292 1.00 0.00 O ATOM 660 CB LYS A 46 9.546 -3.170 -0.821 1.00 0.00 C ATOM 661 CG LYS A 46 10.865 -2.710 -0.226 1.00 0.00 C ATOM 662 CD LYS A 46 11.688 -1.924 -1.234 1.00 0.00 C ATOM 663 CE LYS A 46 12.297 -0.680 -0.607 1.00 0.00 C ATOM 664 NZ LYS A 46 11.742 0.569 -1.198 1.00 0.00 N ATOM 0 H LYS A 46 7.802 -3.606 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 46 10.520 -3.970 -2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.031 -2.310 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.912 -3.557 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.674 -2.091 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.434 -3.576 0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.481 -2.558 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.057 -1.637 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.111 -0.687 0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.378 -0.697 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.183 1.394 -0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.941 0.588 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.714 0.598 -1.045 1.00 0.00 H new ATOM 678 N CYS A 47 9.026 -6.214 -0.654 1.00 0.00 N ATOM 679 CA CYS A 47 9.210 -7.503 0.003 1.00 0.00 C ATOM 680 C CYS A 47 8.233 -8.538 -0.549 1.00 0.00 C ATOM 681 O CYS A 47 8.397 -9.739 -0.331 1.00 0.00 O ATOM 682 CB CYS A 47 9.021 -7.361 1.514 1.00 0.00 C ATOM 683 SG CYS A 47 7.493 -6.495 1.995 1.00 0.00 S ATOM 0 H CYS A 47 8.073 -5.852 -0.612 1.00 0.00 H new ATOM 0 HA CYS A 47 10.226 -7.844 -0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.020 -8.354 1.964 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.875 -6.825 1.927 1.00 0.00 H new ATOM 0 HG CYS A 47 7.399 -5.381 1.332 1.00 0.00 H new ATOM 688 N SER A 48 7.218 -8.064 -1.263 1.00 0.00 N ATOM 689 CA SER A 48 6.213 -8.947 -1.842 1.00 0.00 C ATOM 690 C SER A 48 5.124 -9.272 -0.824 1.00 0.00 C ATOM 691 O SER A 48 4.578 -10.376 -0.814 1.00 0.00 O ATOM 692 CB SER A 48 6.865 -10.240 -2.339 1.00 0.00 C ATOM 693 OG SER A 48 6.126 -10.805 -3.409 1.00 0.00 O ATOM 0 H SER A 48 7.070 -7.073 -1.455 1.00 0.00 H new ATOM 0 HA SER A 48 5.755 -8.431 -2.686 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.885 -10.035 -2.665 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.931 -10.956 -1.520 1.00 0.00 H new ATOM 0 HG SER A 48 6.563 -11.629 -3.710 1.00 0.00 H new ATOM 699 N HIS A 49 4.813 -8.303 0.030 1.00 0.00 N ATOM 700 CA HIS A 49 3.788 -8.484 1.052 1.00 0.00 C ATOM 701 C HIS A 49 2.534 -7.684 0.712 1.00 0.00 C ATOM 702 O HIS A 49 2.583 -6.462 0.576 1.00 0.00 O ATOM 703 CB HIS A 49 4.323 -8.059 2.420 1.00 0.00 C ATOM 704 CG HIS A 49 5.585 -8.762 2.816 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.943 -8.984 4.128 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.573 -9.296 2.061 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.099 -9.622 4.165 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.503 -9.824 2.923 1.00 0.00 N ATOM 0 H HIS A 49 5.256 -7.384 0.035 1.00 0.00 H new ATOM 0 HA HIS A 49 3.525 -9.541 1.085 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.503 -6.984 2.412 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.559 -8.249 3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.621 -9.305 0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.624 -9.927 5.058 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.365 -10.295 2.649 1.00 0.00 H new ATOM 716 N ALA A 50 1.412 -8.383 0.575 1.00 0.00 N ATOM 717 CA ALA A 50 0.145 -7.738 0.252 1.00 0.00 C ATOM 718 C ALA A 50 -0.669 -7.466 1.512 1.00 0.00 C ATOM 719 O ALA A 50 -0.391 -8.021 2.575 1.00 0.00 O ATOM 720 CB ALA A 50 -0.652 -8.598 -0.718 1.00 0.00 C ATOM 0 H ALA A 50 1.355 -9.396 0.683 1.00 0.00 H new ATOM 0 HA ALA A 50 0.363 -6.781 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.596 -8.105 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.080 -8.738 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.852 -9.568 -0.264 1.00 0.00 H new ATOM 726 N PHE A 51 -1.676 -6.607 1.386 1.00 0.00 N ATOM 727 CA PHE A 51 -2.530 -6.260 2.517 1.00 0.00 C ATOM 728 C PHE A 51 -3.517 -5.161 2.134 1.00 0.00 C ATOM 729 O PHE A 51 -3.655 -4.815 0.959 1.00 0.00 O ATOM 730 CB PHE A 51 -1.680 -5.807 3.705 1.00 0.00 C ATOM 731 CG PHE A 51 -0.271 -5.448 3.331 1.00 0.00 C ATOM 732 CD1 PHE A 51 -0.001 -4.787 2.143 1.00 0.00 C ATOM 733 CD2 PHE A 51 0.785 -5.769 4.168 1.00 0.00 C ATOM 734 CE1 PHE A 51 1.294 -4.453 1.797 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.083 -5.439 3.827 1.00 0.00 C ATOM 736 CZ PHE A 51 2.338 -4.781 2.639 1.00 0.00 C ATOM 0 H PHE A 51 -1.920 -6.139 0.513 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.094 -7.148 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.154 -4.944 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.658 -6.602 4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.813 -4.530 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.592 -6.283 5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.490 -3.936 0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.897 -5.695 4.489 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.352 -4.524 2.370 1.00 0.00 H new ATOM 746 N HIS A 52 -4.203 -4.616 3.134 1.00 0.00 N ATOM 747 CA HIS A 52 -5.178 -3.556 2.903 1.00 0.00 C ATOM 748 C HIS A 52 -4.491 -2.197 2.807 1.00 0.00 C ATOM 749 O HIS A 52 -4.050 -1.640 3.813 1.00 0.00 O ATOM 750 CB HIS A 52 -6.216 -3.537 4.025 1.00 0.00 C ATOM 751 CG HIS A 52 -7.218 -4.646 3.933 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.749 -5.274 5.040 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.787 -5.238 2.857 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.600 -6.206 4.648 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.642 -6.204 3.329 1.00 0.00 N ATOM 0 H HIS A 52 -4.102 -4.891 4.111 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.680 -3.757 1.956 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.703 -3.601 4.985 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.741 -2.582 4.007 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.603 -4.996 1.821 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.165 -6.859 5.297 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -9.216 -6.820 2.753 1.00 0.00 H new ATOM 763 N LEU A 53 -4.400 -1.669 1.591 1.00 0.00 N ATOM 764 CA LEU A 53 -3.766 -0.376 1.363 1.00 0.00 C ATOM 765 C LEU A 53 -4.173 0.627 2.437 1.00 0.00 C ATOM 766 O LEU A 53 -3.359 1.436 2.887 1.00 0.00 O ATOM 767 CB LEU A 53 -4.139 0.161 -0.020 1.00 0.00 C ATOM 768 CG LEU A 53 -3.534 -0.579 -1.213 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.049 0.003 -2.520 1.00 0.00 C ATOM 770 CD2 LEU A 53 -2.015 -0.519 -1.163 1.00 0.00 C ATOM 0 H LEU A 53 -4.758 -2.117 0.748 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.686 -0.515 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.225 0.138 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.837 1.207 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.839 -1.624 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.607 -0.537 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.134 -0.093 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.775 1.056 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.601 -1.051 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.691 0.521 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.663 -0.984 -0.242 1.00 0.00 H new ATOM 782 N LEU A 54 -5.435 0.569 2.846 1.00 0.00 N ATOM 783 CA LEU A 54 -5.950 1.471 3.870 1.00 0.00 C ATOM 784 C LEU A 54 -5.261 1.226 5.208 1.00 0.00 C ATOM 785 O LEU A 54 -4.496 2.064 5.687 1.00 0.00 O ATOM 786 CB LEU A 54 -7.462 1.292 4.022 1.00 0.00 C ATOM 787 CG LEU A 54 -8.135 2.146 5.097 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.302 3.384 5.394 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.540 2.539 4.664 1.00 0.00 C ATOM 0 H LEU A 54 -6.121 -0.093 2.484 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.741 2.494 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.932 1.513 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.663 0.243 4.241 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.209 1.555 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.796 3.980 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.316 3.083 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.196 3.978 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.004 3.146 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.489 3.112 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.135 1.641 4.502 1.00 0.00 H new ATOM 801 N CYS A 55 -5.535 0.072 5.807 1.00 0.00 N ATOM 802 CA CYS A 55 -4.940 -0.286 7.089 1.00 0.00 C ATOM 803 C CYS A 55 -3.465 0.103 7.131 1.00 0.00 C ATOM 804 O CYS A 55 -2.972 0.605 8.142 1.00 0.00 O ATOM 805 CB CYS A 55 -5.091 -1.787 7.344 1.00 0.00 C ATOM 806 SG CYS A 55 -6.816 -2.371 7.344 1.00 0.00 S ATOM 0 H CYS A 55 -6.166 -0.632 5.424 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.465 0.263 7.871 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.534 -2.332 6.582 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.637 -2.029 8.305 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.620 -1.350 7.325 1.00 0.00 H new ATOM 811 N LEU A 56 -2.765 -0.133 6.027 1.00 0.00 N ATOM 812 CA LEU A 56 -1.345 0.192 5.937 1.00 0.00 C ATOM 813 C LEU A 56 -1.134 1.703 5.896 1.00 0.00 C ATOM 814 O LEU A 56 -0.444 2.266 6.746 1.00 0.00 O ATOM 815 CB LEU A 56 -0.732 -0.454 4.694 1.00 0.00 C ATOM 816 CG LEU A 56 -1.078 -1.926 4.462 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.922 -2.285 2.993 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.204 -2.821 5.327 1.00 0.00 C ATOM 0 H LEU A 56 -3.157 -0.548 5.182 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.850 -0.202 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.049 0.115 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.352 -0.362 4.759 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.119 -2.084 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.172 -3.336 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.590 -1.666 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.108 -2.111 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.464 -3.865 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.844 -2.660 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.365 -2.581 6.378 1.00 0.00 H new ATOM 830 N LEU A 57 -1.735 2.352 4.905 1.00 0.00 N ATOM 831 CA LEU A 57 -1.615 3.797 4.754 1.00 0.00 C ATOM 832 C LEU A 57 -1.811 4.503 6.093 1.00 0.00 C ATOM 833 O LEU A 57 -1.347 5.626 6.287 1.00 0.00 O ATOM 834 CB LEU A 57 -2.638 4.311 3.740 1.00 0.00 C ATOM 835 CG LEU A 57 -2.634 5.819 3.487 1.00 0.00 C ATOM 836 CD1 LEU A 57 -2.116 6.124 2.090 1.00 0.00 C ATOM 837 CD2 LEU A 57 -4.030 6.396 3.678 1.00 0.00 C ATOM 0 H LEU A 57 -2.310 1.900 4.194 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.611 4.017 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.466 3.803 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.633 4.023 4.080 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.967 6.288 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.120 7.202 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.099 5.746 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.757 5.643 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.008 7.470 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.718 5.922 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.364 6.210 4.699 1.00 0.00 H new ATOM 849 N ALA A 58 -2.498 3.834 7.013 1.00 0.00 N ATOM 850 CA ALA A 58 -2.751 4.395 8.334 1.00 0.00 C ATOM 851 C ALA A 58 -1.497 4.344 9.201 1.00 0.00 C ATOM 852 O ALA A 58 -0.936 5.379 9.557 1.00 0.00 O ATOM 853 CB ALA A 58 -3.895 3.654 9.012 1.00 0.00 C ATOM 0 H ALA A 58 -2.889 2.903 6.868 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.033 5.441 8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.073 4.084 9.998 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.797 3.746 8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.635 2.601 9.117 1.00 0.00 H new ATOM 859 N MET A 59 -1.066 3.133 9.538 1.00 0.00 N ATOM 860 CA MET A 59 0.123 2.949 10.363 1.00 0.00 C ATOM 861 C MET A 59 1.384 3.317 9.590 1.00 0.00 C ATOM 862 O MET A 59 2.468 3.421 10.165 1.00 0.00 O ATOM 863 CB MET A 59 0.212 1.501 10.850 1.00 0.00 C ATOM 864 CG MET A 59 -0.354 0.492 9.862 1.00 0.00 C ATOM 865 SD MET A 59 0.585 -1.047 9.828 1.00 0.00 S ATOM 866 CE MET A 59 1.881 -0.627 8.665 1.00 0.00 C ATOM 0 H MET A 59 -1.521 2.266 9.253 1.00 0.00 H new ATOM 0 HA MET A 59 0.042 3.611 11.226 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.255 1.257 11.049 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.323 1.411 11.796 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.390 0.276 10.123 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.361 0.931 8.864 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.650 -1.399 8.683 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.461 -0.557 7.662 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.322 0.331 8.942 1.00 0.00 H new ATOM 876 N TYR A 60 1.237 3.512 8.285 1.00 0.00 N ATOM 877 CA TYR A 60 2.366 3.865 7.432 1.00 0.00 C ATOM 878 C TYR A 60 3.046 5.138 7.929 1.00 0.00 C ATOM 879 O TYR A 60 4.237 5.349 7.698 1.00 0.00 O ATOM 880 CB TYR A 60 1.902 4.052 5.987 1.00 0.00 C ATOM 881 CG TYR A 60 2.135 5.447 5.451 1.00 0.00 C ATOM 882 CD1 TYR A 60 2.960 5.662 4.355 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.531 6.550 6.043 1.00 0.00 C ATOM 884 CE1 TYR A 60 3.178 6.935 3.862 1.00 0.00 C ATOM 885 CE2 TYR A 60 1.741 7.825 5.557 1.00 0.00 C ATOM 886 CZ TYR A 60 2.565 8.013 4.466 1.00 0.00 C ATOM 887 OH TYR A 60 2.778 9.282 3.980 1.00 0.00 O ATOM 0 H TYR A 60 0.347 3.432 7.794 1.00 0.00 H new ATOM 0 HA TYR A 60 3.088 3.049 7.471 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.423 3.336 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.839 3.820 5.923 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.440 4.820 3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.886 6.407 6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.824 7.084 3.010 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.263 8.671 6.028 1.00 0.00 H new ATOM 0 HH TYR A 60 2.711 9.929 4.713 1.00 0.00 H new ATOM 897 N CYS A 61 2.280 5.982 8.611 1.00 0.00 N ATOM 898 CA CYS A 61 2.808 7.234 9.142 1.00 0.00 C ATOM 899 C CYS A 61 4.148 7.010 9.833 1.00 0.00 C ATOM 900 O CYS A 61 4.936 7.941 9.998 1.00 0.00 O ATOM 901 CB CYS A 61 1.812 7.856 10.122 1.00 0.00 C ATOM 902 SG CYS A 61 2.474 8.110 11.786 1.00 0.00 S ATOM 0 H CYS A 61 1.292 5.823 8.809 1.00 0.00 H new ATOM 0 HA CYS A 61 2.961 7.918 8.307 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.479 8.815 9.725 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.933 7.215 10.186 1.00 0.00 H new ATOM 0 HG CYS A 61 1.559 8.642 12.541 1.00 0.00 H new ATOM 908 N ASN A 62 4.401 5.769 10.237 1.00 0.00 N ATOM 909 CA ASN A 62 5.645 5.424 10.913 1.00 0.00 C ATOM 910 C ASN A 62 6.653 4.835 9.930 1.00 0.00 C ATOM 911 O ASN A 62 7.730 5.390 9.722 1.00 0.00 O ATOM 912 CB ASN A 62 5.378 4.429 12.043 1.00 0.00 C ATOM 913 CG ASN A 62 6.111 4.791 13.320 1.00 0.00 C ATOM 914 OD1 ASN A 62 7.342 4.825 13.353 1.00 0.00 O ATOM 915 ND2 ASN A 62 5.358 5.066 14.378 1.00 0.00 N ATOM 0 H ASN A 62 3.760 4.986 10.108 1.00 0.00 H new ATOM 0 HA ASN A 62 6.065 6.337 11.334 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.307 4.388 12.242 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.681 3.432 11.724 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.796 5.318 15.264 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.341 5.025 14.305 1.00 0.00 H new ATOM 922 N GLY A 63 6.293 3.706 9.328 1.00 0.00 N ATOM 923 CA GLY A 63 7.175 3.060 8.373 1.00 0.00 C ATOM 924 C GLY A 63 7.527 3.961 7.207 1.00 0.00 C ATOM 925 O GLY A 63 7.535 5.185 7.340 1.00 0.00 O ATOM 0 H GLY A 63 5.406 3.227 9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.090 2.752 8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.698 2.155 7.997 1.00 0.00 H new ATOM 929 N ASN A 64 7.821 3.356 6.060 1.00 0.00 N ATOM 930 CA ASN A 64 8.178 4.113 4.866 1.00 0.00 C ATOM 931 C ASN A 64 7.121 5.169 4.555 1.00 0.00 C ATOM 932 O ASN A 64 6.215 4.939 3.754 1.00 0.00 O ATOM 933 CB ASN A 64 8.342 3.171 3.670 1.00 0.00 C ATOM 934 CG ASN A 64 7.405 1.981 3.740 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.493 1.941 4.566 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.628 1.002 2.870 1.00 0.00 N ATOM 0 H ASN A 64 7.819 2.344 5.933 1.00 0.00 H new ATOM 0 HA ASN A 64 9.125 4.618 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.157 3.722 2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.372 2.817 3.628 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.031 0.175 2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.396 1.078 2.203 1.00 0.00 H new ATOM 943 N LYS A 65 7.245 6.327 5.194 1.00 0.00 N ATOM 944 CA LYS A 65 6.303 7.421 4.984 1.00 0.00 C ATOM 945 C LYS A 65 6.702 8.259 3.775 1.00 0.00 C ATOM 946 O LYS A 65 7.285 9.334 3.918 1.00 0.00 O ATOM 947 CB LYS A 65 6.233 8.305 6.232 1.00 0.00 C ATOM 948 CG LYS A 65 5.202 9.416 6.131 1.00 0.00 C ATOM 949 CD LYS A 65 5.070 10.175 7.441 1.00 0.00 C ATOM 950 CE LYS A 65 6.415 10.705 7.916 1.00 0.00 C ATOM 951 NZ LYS A 65 6.317 12.108 8.406 1.00 0.00 N ATOM 0 H LYS A 65 7.988 6.533 5.862 1.00 0.00 H new ATOM 0 HA LYS A 65 5.320 6.990 4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.001 7.682 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.214 8.746 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.486 10.106 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.236 8.993 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.375 11.005 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.647 9.519 8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.795 10.067 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.134 10.655 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.254 12.432 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.978 12.721 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.650 12.152 9.203 1.00 0.00 H new ATOM 965 N ASP A 66 6.385 7.761 2.585 1.00 0.00 N ATOM 966 CA ASP A 66 6.708 8.466 1.350 1.00 0.00 C ATOM 967 C ASP A 66 5.484 8.565 0.444 1.00 0.00 C ATOM 968 O ASP A 66 5.604 8.560 -0.780 1.00 0.00 O ATOM 969 CB ASP A 66 7.846 7.755 0.615 1.00 0.00 C ATOM 970 CG ASP A 66 8.955 8.706 0.210 1.00 0.00 C ATOM 971 OD1 ASP A 66 8.889 9.254 -0.911 1.00 0.00 O ATOM 972 OD2 ASP A 66 9.890 8.903 1.014 1.00 0.00 O ATOM 0 H ASP A 66 5.905 6.872 2.449 1.00 0.00 H new ATOM 0 HA ASP A 66 7.028 9.475 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.256 6.974 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.450 7.263 -0.274 1.00 0.00 H new ATOM 977 N GLY A 67 4.307 8.653 1.055 1.00 0.00 N ATOM 978 CA GLY A 67 3.079 8.750 0.289 1.00 0.00 C ATOM 979 C GLY A 67 2.672 7.425 -0.325 1.00 0.00 C ATOM 980 O GLY A 67 2.599 7.295 -1.546 1.00 0.00 O ATOM 0 H GLY A 67 4.182 8.659 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.278 9.108 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.205 9.490 -0.502 1.00 0.00 H new ATOM 984 N SER A 68 2.407 6.437 0.525 1.00 0.00 N ATOM 985 CA SER A 68 2.011 5.114 0.059 1.00 0.00 C ATOM 986 C SER A 68 1.436 4.284 1.203 1.00 0.00 C ATOM 987 O SER A 68 0.250 4.380 1.519 1.00 0.00 O ATOM 988 CB SER A 68 3.208 4.388 -0.561 1.00 0.00 C ATOM 989 OG SER A 68 3.454 4.846 -1.879 1.00 0.00 O ATOM 0 H SER A 68 2.460 6.529 1.540 1.00 0.00 H new ATOM 0 HA SER A 68 1.239 5.240 -0.700 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.093 4.548 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.019 3.315 -0.575 1.00 0.00 H new ATOM 0 HG SER A 68 2.867 5.606 -2.076 1.00 0.00 H new ATOM 995 N LEU A 69 2.286 3.471 1.820 1.00 0.00 N ATOM 996 CA LEU A 69 1.864 2.623 2.930 1.00 0.00 C ATOM 997 C LEU A 69 3.064 1.942 3.582 1.00 0.00 C ATOM 998 O LEU A 69 4.211 2.226 3.239 1.00 0.00 O ATOM 999 CB LEU A 69 0.867 1.570 2.443 1.00 0.00 C ATOM 1000 CG LEU A 69 1.307 0.736 1.239 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.991 1.465 -0.058 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.793 0.417 1.325 1.00 0.00 C ATOM 0 H LEU A 69 3.271 3.381 1.571 1.00 0.00 H new ATOM 0 HA LEU A 69 1.380 3.255 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.651 0.893 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.067 2.072 2.190 1.00 0.00 H new ATOM 0 HG LEU A 69 0.753 -0.203 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.311 0.857 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.083 1.642 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.518 2.419 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.088 -0.177 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.364 1.345 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.992 -0.146 2.237 1.00 0.00 H new ATOM 1014 N GLN A 70 2.789 1.044 4.522 1.00 0.00 N ATOM 1015 CA GLN A 70 3.846 0.322 5.219 1.00 0.00 C ATOM 1016 C GLN A 70 3.500 -1.158 5.351 1.00 0.00 C ATOM 1017 O GLN A 70 2.328 -1.536 5.333 1.00 0.00 O ATOM 1018 CB GLN A 70 4.077 0.928 6.604 1.00 0.00 C ATOM 1019 CG GLN A 70 5.103 0.173 7.435 1.00 0.00 C ATOM 1020 CD GLN A 70 5.128 0.624 8.883 1.00 0.00 C ATOM 1021 OE1 GLN A 70 4.510 1.626 9.243 1.00 0.00 O ATOM 1022 NE2 GLN A 70 5.845 -0.115 9.720 1.00 0.00 N ATOM 0 H GLN A 70 1.844 0.799 4.818 1.00 0.00 H new ATOM 0 HA GLN A 70 4.760 0.412 4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.404 1.961 6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.130 0.951 7.144 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.884 -0.894 7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.092 0.312 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.341 -0.938 9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.900 0.140 10.706 1.00 0.00 H new ATOM 1031 N CYS A 71 4.526 -1.991 5.481 1.00 0.00 N ATOM 1032 CA CYS A 71 4.332 -3.430 5.614 1.00 0.00 C ATOM 1033 C CYS A 71 4.471 -3.866 7.070 1.00 0.00 C ATOM 1034 O CYS A 71 5.574 -4.014 7.597 1.00 0.00 O ATOM 1035 CB CYS A 71 5.340 -4.185 4.745 1.00 0.00 C ATOM 1036 SG CYS A 71 5.411 -5.976 5.073 1.00 0.00 S ATOM 0 H CYS A 71 5.502 -1.694 5.497 1.00 0.00 H new ATOM 0 HA CYS A 71 3.323 -3.667 5.277 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.088 -4.028 3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.331 -3.758 4.902 1.00 0.00 H new ATOM 0 HG CYS A 71 6.175 -6.549 4.191 1.00 0.00 H new ATOM 1041 N PRO A 72 3.327 -4.076 7.736 1.00 0.00 N ATOM 1042 CA PRO A 72 3.294 -4.499 9.140 1.00 0.00 C ATOM 1043 C PRO A 72 3.780 -5.932 9.326 1.00 0.00 C ATOM 1044 O PRO A 72 3.907 -6.414 10.452 1.00 0.00 O ATOM 1045 CB PRO A 72 1.813 -4.384 9.511 1.00 0.00 C ATOM 1046 CG PRO A 72 1.087 -4.532 8.218 1.00 0.00 C ATOM 1047 CD PRO A 72 1.976 -3.919 7.171 1.00 0.00 C ATOM 0 HA PRO A 72 3.952 -3.893 9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.521 -5.159 10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.595 -3.424 9.980 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.892 -5.582 7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.121 -4.028 8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.879 -4.430 6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.731 -2.871 7.000 1.00 0.00 H new ATOM 1055 N SER A 73 4.052 -6.609 8.215 1.00 0.00 N ATOM 1056 CA SER A 73 4.521 -7.989 8.255 1.00 0.00 C ATOM 1057 C SER A 73 5.987 -8.051 8.673 1.00 0.00 C ATOM 1058 O SER A 73 6.336 -8.696 9.663 1.00 0.00 O ATOM 1059 CB SER A 73 4.340 -8.652 6.888 1.00 0.00 C ATOM 1060 OG SER A 73 3.756 -9.936 7.018 1.00 0.00 O ATOM 0 H SER A 73 3.956 -6.224 7.275 1.00 0.00 H new ATOM 0 HA SER A 73 3.927 -8.528 8.993 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.711 -8.025 6.257 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.306 -8.737 6.391 1.00 0.00 H new ATOM 0 HG SER A 73 3.649 -10.338 6.131 1.00 0.00 H new ATOM 1066 N CYS A 74 6.842 -7.377 7.912 1.00 0.00 N ATOM 1067 CA CYS A 74 8.272 -7.355 8.202 1.00 0.00 C ATOM 1068 C CYS A 74 8.779 -5.921 8.328 1.00 0.00 C ATOM 1069 O CYS A 74 9.985 -5.676 8.345 1.00 0.00 O ATOM 1070 CB CYS A 74 9.047 -8.086 7.104 1.00 0.00 C ATOM 1071 SG CYS A 74 9.201 -7.146 5.550 1.00 0.00 S ATOM 0 H CYS A 74 6.570 -6.838 7.089 1.00 0.00 H new ATOM 0 HA CYS A 74 8.433 -7.864 9.152 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.045 -8.322 7.474 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.552 -9.034 6.895 1.00 0.00 H new ATOM 0 HG CYS A 74 8.048 -6.634 5.236 1.00 0.00 H new ATOM 1076 N LYS A 75 7.849 -4.976 8.417 1.00 0.00 N ATOM 1077 CA LYS A 75 8.199 -3.567 8.545 1.00 0.00 C ATOM 1078 C LYS A 75 8.954 -3.080 7.311 1.00 0.00 C ATOM 1079 O LYS A 75 10.182 -2.989 7.318 1.00 0.00 O ATOM 1080 CB LYS A 75 9.049 -3.342 9.797 1.00 0.00 C ATOM 1081 CG LYS A 75 8.312 -3.637 11.092 1.00 0.00 C ATOM 1082 CD LYS A 75 8.092 -2.374 11.909 1.00 0.00 C ATOM 1083 CE LYS A 75 7.347 -2.669 13.202 1.00 0.00 C ATOM 1084 NZ LYS A 75 6.991 -1.422 13.933 1.00 0.00 N ATOM 0 H LYS A 75 6.846 -5.161 8.403 1.00 0.00 H new ATOM 0 HA LYS A 75 7.275 -2.996 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.936 -3.972 9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.393 -2.308 9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.350 -4.098 10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.881 -4.357 11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.054 -1.916 12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.528 -1.652 11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.440 -3.231 12.979 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.964 -3.301 13.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.485 -1.665 14.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.858 -0.898 14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.381 -0.830 13.333 1.00 0.00 H new ATOM 1098 N THR A 76 8.212 -2.767 6.254 1.00 0.00 N ATOM 1099 CA THR A 76 8.812 -2.291 5.013 1.00 0.00 C ATOM 1100 C THR A 76 7.873 -1.340 4.279 1.00 0.00 C ATOM 1101 O THR A 76 7.398 -0.379 4.882 1.00 0.00 O ATOM 1102 CB THR A 76 9.175 -3.460 4.079 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.567 -3.770 4.200 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.851 -3.117 2.633 1.00 0.00 C ATOM 0 H THR A 76 7.194 -2.834 6.232 1.00 0.00 H new ATOM 0 HA THR A 76 9.723 -1.759 5.286 1.00 0.00 H new ATOM 0 HB THR A 76 8.584 -4.327 4.372 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.842 -3.679 5.136 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.116 -3.958 1.992 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.785 -2.910 2.538 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.420 -2.237 2.332 1.00 0.00 H new