USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 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 34 TYR OH : rot -128:sc= 1.19 USER MOD Set 1.2: A 36 SER OG : rot 80:sc= 2.59 USER MOD Set 2.1: A 29 HIS : no HE2:sc= -0.31 K(o=-0.011,f=-2.3!) USER MOD Set 2.2: A 61 THR OG1 : rot 72:sc= 0.299 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.642 USER MOD Set 3.2: A 17 SER OG : rot 180:sc= 0.00533 USER MOD Set 3.3: A 18 CYS SG : rot 90:sc= -0.423 USER MOD Single : A 13 MET CE :methyl 180:sc= -0.0793 (180deg=-0.0793) USER MOD Single : A 14 THR OG1 : rot -20:sc= 0.298 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.0588 F(o=-0.66,f=-0.059) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 84:sc= 1.23 USER MOD Single : A 27 THR OG1 : rot -47:sc= 0.991 USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= 1.22 (180deg=0.923) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.214 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00662 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0723 F(o=-0.59,f=-0.072) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= 1.1 (180deg=0.863) USER MOD Single : A 45 HIS : no HE2:sc= 0.167 K(o=0.17,f=-5.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.798! C(o=-0.8!,f=-5.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -4:sc= 2.02 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -3.971 -12.530 -0.780 1.00 1.19 N ATOM 40 CA GLY A 4 -2.947 -11.526 -0.550 1.00 1.27 C ATOM 41 C GLY A 4 -3.433 -10.507 0.473 1.00 1.17 C ATOM 42 O GLY A 4 -4.499 -9.925 0.295 1.00 1.66 O ATOM 0 HA2 GLY A 4 -2.033 -12.002 -0.195 1.00 1.27 H new ATOM 0 HA3 GLY A 4 -2.702 -11.024 -1.486 1.00 1.27 H new ATOM 46 N VAL A 5 -2.652 -10.282 1.536 1.00 1.21 N ATOM 47 CA VAL A 5 -2.923 -9.295 2.579 1.00 1.13 C ATOM 48 C VAL A 5 -1.639 -8.506 2.854 1.00 1.20 C ATOM 49 O VAL A 5 -1.047 -8.595 3.939 1.00 2.03 O ATOM 50 CB VAL A 5 -3.490 -9.978 3.841 1.00 1.32 C ATOM 51 CG1 VAL A 5 -4.946 -10.403 3.628 1.00 1.58 C ATOM 52 CG2 VAL A 5 -2.687 -11.211 4.277 1.00 2.80 C ATOM 0 H VAL A 5 -1.788 -10.800 1.696 1.00 1.21 H new ATOM 0 HA VAL A 5 -3.688 -8.592 2.248 1.00 1.13 H new ATOM 0 HB VAL A 5 -3.420 -9.229 4.630 1.00 1.32 H new ATOM 0 HG11 VAL A 5 -5.321 -10.882 4.532 1.00 1.58 H new ATOM 0 HG12 VAL A 5 -5.552 -9.525 3.404 1.00 1.58 H new ATOM 0 HG13 VAL A 5 -5.002 -11.105 2.796 1.00 1.58 H new ATOM 0 HG21 VAL A 5 -3.139 -11.643 5.170 1.00 2.80 H new ATOM 0 HG22 VAL A 5 -2.690 -11.949 3.475 1.00 2.80 H new ATOM 0 HG23 VAL A 5 -1.660 -10.918 4.496 1.00 2.80 H new ATOM 62 N LEU A 6 -1.207 -7.721 1.864 1.00 0.92 N ATOM 63 CA LEU A 6 0.029 -6.956 1.911 1.00 1.18 C ATOM 64 C LEU A 6 -0.242 -5.721 2.764 1.00 1.12 C ATOM 65 O LEU A 6 -0.513 -4.630 2.268 1.00 1.38 O ATOM 66 CB LEU A 6 0.501 -6.621 0.483 1.00 1.33 C ATOM 67 CG LEU A 6 2.018 -6.452 0.298 1.00 1.68 C ATOM 68 CD1 LEU A 6 2.595 -5.326 1.155 1.00 2.73 C ATOM 69 CD2 LEU A 6 2.790 -7.759 0.529 1.00 2.07 C ATOM 0 H LEU A 6 -1.722 -7.601 0.992 1.00 0.92 H new ATOM 0 HA LEU A 6 0.844 -7.522 2.363 1.00 1.18 H new ATOM 0 HB2 LEU A 6 0.159 -7.410 -0.186 1.00 1.33 H new ATOM 0 HB3 LEU A 6 0.011 -5.700 0.166 1.00 1.33 H new ATOM 0 HG LEU A 6 2.151 -6.170 -0.746 1.00 1.68 H new ATOM 0 HD11 LEU A 6 3.669 -5.252 0.984 1.00 2.73 H new ATOM 0 HD12 LEU A 6 2.119 -4.383 0.885 1.00 2.73 H new ATOM 0 HD13 LEU A 6 2.409 -5.538 2.208 1.00 2.73 H new ATOM 0 HD21 LEU A 6 3.856 -7.582 0.385 1.00 2.07 H new ATOM 0 HD22 LEU A 6 2.614 -8.111 1.546 1.00 2.07 H new ATOM 0 HD23 LEU A 6 2.449 -8.513 -0.180 1.00 2.07 H new ATOM 81 N GLU A 7 -0.211 -5.943 4.077 1.00 0.94 N ATOM 82 CA GLU A 7 -0.372 -4.925 5.093 1.00 0.79 C ATOM 83 C GLU A 7 1.012 -4.535 5.589 1.00 0.69 C ATOM 84 O GLU A 7 1.621 -5.258 6.380 1.00 1.01 O ATOM 85 CB GLU A 7 -1.319 -5.428 6.182 1.00 1.03 C ATOM 86 CG GLU A 7 -1.941 -4.248 6.926 1.00 1.43 C ATOM 87 CD GLU A 7 -2.950 -4.693 7.966 1.00 1.94 C ATOM 88 OE1 GLU A 7 -3.480 -5.813 7.798 1.00 2.69 O ATOM 89 OE2 GLU A 7 -3.236 -3.869 8.860 1.00 2.98 O ATOM 0 H GLU A 7 -0.067 -6.874 4.468 1.00 0.94 H new ATOM 0 HA GLU A 7 -0.839 -4.022 4.701 1.00 0.79 H new ATOM 0 HB2 GLU A 7 -2.103 -6.041 5.738 1.00 1.03 H new ATOM 0 HB3 GLU A 7 -0.776 -6.063 6.882 1.00 1.03 H new ATOM 0 HG2 GLU A 7 -1.154 -3.671 7.410 1.00 1.43 H new ATOM 0 HG3 GLU A 7 -2.428 -3.586 6.210 1.00 1.43 H new ATOM 96 N LEU A 8 1.511 -3.413 5.071 1.00 0.65 N ATOM 97 CA LEU A 8 2.826 -2.878 5.380 1.00 0.67 C ATOM 98 C LEU A 8 2.671 -1.489 5.986 1.00 0.69 C ATOM 99 O LEU A 8 1.670 -0.812 5.742 1.00 0.83 O ATOM 100 CB LEU A 8 3.755 -2.952 4.151 1.00 0.98 C ATOM 101 CG LEU A 8 3.519 -2.044 2.928 1.00 1.05 C ATOM 102 CD1 LEU A 8 2.058 -1.879 2.510 1.00 1.55 C ATOM 103 CD2 LEU A 8 4.151 -0.664 3.117 1.00 2.69 C ATOM 0 H LEU A 8 0.992 -2.839 4.406 1.00 0.65 H new ATOM 0 HA LEU A 8 3.324 -3.488 6.133 1.00 0.67 H new ATOM 0 HB2 LEU A 8 4.768 -2.758 4.503 1.00 0.98 H new ATOM 0 HB3 LEU A 8 3.733 -3.982 3.794 1.00 0.98 H new ATOM 0 HG LEU A 8 4.011 -2.576 2.114 1.00 1.05 H new ATOM 0 HD11 LEU A 8 2.000 -1.223 1.642 1.00 1.55 H new ATOM 0 HD12 LEU A 8 1.640 -2.853 2.257 1.00 1.55 H new ATOM 0 HD13 LEU A 8 1.491 -1.443 3.333 1.00 1.55 H new ATOM 0 HD21 LEU A 8 3.963 -0.054 2.234 1.00 2.69 H new ATOM 0 HD22 LEU A 8 3.715 -0.181 3.992 1.00 2.69 H new ATOM 0 HD23 LEU A 8 5.226 -0.773 3.261 1.00 2.69 H new ATOM 115 N VAL A 9 3.643 -1.083 6.806 1.00 0.63 N ATOM 116 CA VAL A 9 3.692 0.257 7.353 1.00 0.61 C ATOM 117 C VAL A 9 4.266 1.160 6.261 1.00 0.62 C ATOM 118 O VAL A 9 5.342 0.878 5.732 1.00 0.81 O ATOM 119 CB VAL A 9 4.448 0.278 8.701 1.00 0.58 C ATOM 120 CG1 VAL A 9 5.360 1.494 8.875 1.00 0.62 C ATOM 121 CG2 VAL A 9 3.446 0.281 9.866 1.00 0.71 C ATOM 0 H VAL A 9 4.414 -1.681 7.104 1.00 0.63 H new ATOM 0 HA VAL A 9 2.705 0.639 7.614 1.00 0.61 H new ATOM 0 HB VAL A 9 5.071 -0.617 8.701 1.00 0.58 H new ATOM 0 HG11 VAL A 9 5.857 1.440 9.844 1.00 0.62 H new ATOM 0 HG12 VAL A 9 6.109 1.504 8.083 1.00 0.62 H new ATOM 0 HG13 VAL A 9 4.765 2.406 8.823 1.00 0.62 H new ATOM 0 HG21 VAL A 9 3.988 0.296 10.812 1.00 0.71 H new ATOM 0 HG22 VAL A 9 2.811 1.164 9.798 1.00 0.71 H new ATOM 0 HG23 VAL A 9 2.827 -0.615 9.816 1.00 0.71 H new ATOM 131 N VAL A 10 3.527 2.208 5.896 1.00 0.61 N ATOM 132 CA VAL A 10 3.950 3.230 4.970 1.00 0.62 C ATOM 133 C VAL A 10 4.373 4.419 5.825 1.00 0.66 C ATOM 134 O VAL A 10 3.534 5.068 6.449 1.00 0.89 O ATOM 135 CB VAL A 10 2.797 3.595 4.027 1.00 0.68 C ATOM 136 CG1 VAL A 10 3.281 4.690 3.080 1.00 2.09 C ATOM 137 CG2 VAL A 10 2.347 2.390 3.198 1.00 1.64 C ATOM 0 H VAL A 10 2.586 2.364 6.256 1.00 0.61 H new ATOM 0 HA VAL A 10 4.774 2.898 4.339 1.00 0.62 H new ATOM 0 HB VAL A 10 1.950 3.932 4.625 1.00 0.68 H new ATOM 0 HG11 VAL A 10 2.475 4.965 2.400 1.00 2.09 H new ATOM 0 HG12 VAL A 10 3.582 5.564 3.658 1.00 2.09 H new ATOM 0 HG13 VAL A 10 4.132 4.324 2.505 1.00 2.09 H new ATOM 0 HG21 VAL A 10 1.529 2.685 2.541 1.00 1.64 H new ATOM 0 HG22 VAL A 10 3.182 2.029 2.598 1.00 1.64 H new ATOM 0 HG23 VAL A 10 2.009 1.596 3.864 1.00 1.64 H new ATOM 147 N ARG A 11 5.674 4.690 5.874 1.00 0.77 N ATOM 148 CA ARG A 11 6.214 5.799 6.636 1.00 0.89 C ATOM 149 C ARG A 11 6.216 7.040 5.743 1.00 0.68 C ATOM 150 O ARG A 11 6.529 6.953 4.555 1.00 0.99 O ATOM 151 CB ARG A 11 7.604 5.429 7.166 1.00 1.14 C ATOM 152 CG ARG A 11 7.482 4.289 8.186 1.00 1.47 C ATOM 153 CD ARG A 11 8.818 3.894 8.827 1.00 2.20 C ATOM 154 NE ARG A 11 9.626 3.026 7.951 1.00 3.79 N ATOM 155 CZ ARG A 11 10.870 3.274 7.513 1.00 4.93 C ATOM 156 NH1 ARG A 11 11.428 4.472 7.651 1.00 4.80 N ATOM 157 NH2 ARG A 11 11.547 2.288 6.925 1.00 6.71 N ATOM 0 H ARG A 11 6.381 4.142 5.383 1.00 0.77 H new ATOM 0 HA ARG A 11 5.601 6.022 7.510 1.00 0.89 H new ATOM 0 HB2 ARG A 11 8.249 5.125 6.342 1.00 1.14 H new ATOM 0 HB3 ARG A 11 8.070 6.298 7.631 1.00 1.14 H new ATOM 0 HG2 ARG A 11 6.786 4.587 8.970 1.00 1.47 H new ATOM 0 HG3 ARG A 11 7.053 3.416 7.694 1.00 1.47 H new ATOM 0 HD2 ARG A 11 9.384 4.794 9.064 1.00 2.20 H new ATOM 0 HD3 ARG A 11 8.628 3.379 9.769 1.00 2.20 H new ATOM 0 HE ARG A 11 9.197 2.151 7.648 1.00 3.79 H new ATOM 0 HH11 ARG A 11 10.909 5.228 8.098 1.00 4.80 H new ATOM 0 HH12 ARG A 11 12.375 4.636 7.310 1.00 4.80 H new ATOM 0 HH21 ARG A 11 11.118 1.369 6.816 1.00 6.71 H new ATOM 0 HH22 ARG A 11 12.494 2.452 6.584 1.00 6.71 H new ATOM 171 N GLY A 12 5.816 8.179 6.316 1.00 0.75 N ATOM 172 CA GLY A 12 5.762 9.463 5.633 1.00 0.85 C ATOM 173 C GLY A 12 4.339 9.902 5.271 1.00 0.84 C ATOM 174 O GLY A 12 4.182 10.968 4.680 1.00 1.07 O ATOM 0 H GLY A 12 5.515 8.229 7.289 1.00 0.75 H new ATOM 0 HA2 GLY A 12 6.218 10.223 6.268 1.00 0.85 H new ATOM 0 HA3 GLY A 12 6.359 9.407 4.723 1.00 0.85 H new ATOM 178 N MET A 13 3.301 9.129 5.623 1.00 1.09 N ATOM 179 CA MET A 13 1.912 9.527 5.388 1.00 1.16 C ATOM 180 C MET A 13 1.515 10.664 6.334 1.00 1.04 C ATOM 181 O MET A 13 0.752 10.458 7.276 1.00 1.34 O ATOM 182 CB MET A 13 0.957 8.337 5.554 1.00 1.50 C ATOM 183 CG MET A 13 1.262 7.206 4.574 1.00 1.02 C ATOM 184 SD MET A 13 -0.115 6.071 4.253 1.00 1.52 S ATOM 185 CE MET A 13 -0.386 5.415 5.904 1.00 1.42 C ATOM 0 H MET A 13 3.402 8.220 6.074 1.00 1.09 H new ATOM 0 HA MET A 13 1.834 9.880 4.360 1.00 1.16 H new ATOM 0 HB2 MET A 13 1.026 7.959 6.574 1.00 1.50 H new ATOM 0 HB3 MET A 13 -0.069 8.675 5.407 1.00 1.50 H new ATOM 0 HG2 MET A 13 1.580 7.643 3.627 1.00 1.02 H new ATOM 0 HG3 MET A 13 2.104 6.631 4.959 1.00 1.02 H new ATOM 0 HE1 MET A 13 -1.206 4.697 5.880 1.00 1.42 H new ATOM 0 HE2 MET A 13 0.520 4.919 6.252 1.00 1.42 H new ATOM 0 HE3 MET A 13 -0.637 6.230 6.583 1.00 1.42 H new ATOM 195 N THR A 14 2.054 11.859 6.105 1.00 0.89 N ATOM 196 CA THR A 14 1.948 12.941 7.072 1.00 0.91 C ATOM 197 C THR A 14 0.541 13.539 7.178 1.00 0.86 C ATOM 198 O THR A 14 0.282 14.219 8.171 1.00 1.06 O ATOM 199 CB THR A 14 3.024 14.013 6.834 1.00 1.01 C ATOM 200 OG1 THR A 14 3.022 14.936 7.905 1.00 1.69 O ATOM 201 CG2 THR A 14 2.852 14.772 5.515 1.00 0.98 C ATOM 0 H THR A 14 2.568 12.100 5.257 1.00 0.89 H new ATOM 0 HA THR A 14 2.137 12.494 8.048 1.00 0.91 H new ATOM 0 HB THR A 14 3.976 13.485 6.774 1.00 1.01 H new ATOM 0 HG1 THR A 14 2.162 14.892 8.374 1.00 1.69 H new ATOM 0 HG21 THR A 14 3.646 15.512 5.415 1.00 0.98 H new ATOM 0 HG22 THR A 14 2.902 14.070 4.682 1.00 0.98 H new ATOM 0 HG23 THR A 14 1.885 15.275 5.508 1.00 0.98 H new ATOM 209 N CYS A 15 -0.346 13.352 6.191 1.00 0.74 N ATOM 210 CA CYS A 15 -1.679 13.941 6.227 1.00 0.69 C ATOM 211 C CYS A 15 -2.612 13.248 5.233 1.00 0.57 C ATOM 212 O CYS A 15 -2.186 12.420 4.425 1.00 0.56 O ATOM 213 CB CYS A 15 -1.586 15.446 5.940 1.00 0.77 C ATOM 214 SG CYS A 15 -1.062 15.848 4.259 1.00 0.79 S ATOM 0 H CYS A 15 -0.157 12.794 5.358 1.00 0.74 H new ATOM 0 HA CYS A 15 -2.100 13.799 7.222 1.00 0.69 H new ATOM 0 HB2 CYS A 15 -2.560 15.900 6.124 1.00 0.77 H new ATOM 0 HB3 CYS A 15 -0.886 15.896 6.644 1.00 0.77 H new ATOM 0 HG CYS A 15 -1.017 17.139 4.116 1.00 0.79 H new ATOM 219 N ALA A 16 -3.895 13.619 5.282 1.00 0.55 N ATOM 220 CA ALA A 16 -4.927 13.121 4.382 1.00 0.52 C ATOM 221 C ALA A 16 -4.490 13.216 2.919 1.00 0.54 C ATOM 222 O ALA A 16 -4.757 12.309 2.129 1.00 0.55 O ATOM 223 CB ALA A 16 -6.224 13.900 4.610 1.00 0.59 C ATOM 0 H ALA A 16 -4.248 14.289 5.965 1.00 0.55 H new ATOM 0 HA ALA A 16 -5.096 12.067 4.601 1.00 0.52 H new ATOM 0 HB1 ALA A 16 -6.996 13.527 3.936 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -6.550 13.770 5.642 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -6.052 14.958 4.414 1.00 0.59 H new ATOM 229 N SER A 17 -3.808 14.311 2.560 1.00 0.61 N ATOM 230 CA SER A 17 -3.295 14.529 1.221 1.00 0.70 C ATOM 231 C SER A 17 -2.313 13.433 0.793 1.00 0.72 C ATOM 232 O SER A 17 -2.237 13.127 -0.393 1.00 0.89 O ATOM 233 CB SER A 17 -2.675 15.923 1.117 1.00 0.81 C ATOM 234 OG SER A 17 -3.558 16.865 1.697 1.00 1.66 O ATOM 0 H SER A 17 -3.600 15.073 3.205 1.00 0.61 H new ATOM 0 HA SER A 17 -4.132 14.473 0.525 1.00 0.70 H new ATOM 0 HB2 SER A 17 -1.712 15.946 1.627 1.00 0.81 H new ATOM 0 HB3 SER A 17 -2.488 16.175 0.073 1.00 0.81 H new ATOM 0 HG SER A 17 -3.166 17.761 1.636 1.00 1.66 H new ATOM 240 N CYS A 18 -1.571 12.830 1.729 1.00 0.62 N ATOM 241 CA CYS A 18 -0.809 11.625 1.437 1.00 0.58 C ATOM 242 C CYS A 18 -1.756 10.445 1.249 1.00 0.46 C ATOM 243 O CYS A 18 -1.713 9.761 0.229 1.00 0.50 O ATOM 244 CB CYS A 18 0.194 11.338 2.558 1.00 0.69 C ATOM 245 SG CYS A 18 1.394 12.659 2.849 1.00 1.00 S ATOM 0 H CYS A 18 -1.486 13.161 2.690 1.00 0.62 H new ATOM 0 HA CYS A 18 -0.250 11.777 0.514 1.00 0.58 H new ATOM 0 HB2 CYS A 18 -0.355 11.154 3.481 1.00 0.69 H new ATOM 0 HB3 CYS A 18 0.733 10.421 2.320 1.00 0.69 H new ATOM 0 HG CYS A 18 0.920 13.489 3.730 1.00 1.00 H new ATOM 250 N VAL A 19 -2.597 10.201 2.256 1.00 0.44 N ATOM 251 CA VAL A 19 -3.477 9.040 2.318 1.00 0.46 C ATOM 252 C VAL A 19 -4.253 8.871 1.005 1.00 0.46 C ATOM 253 O VAL A 19 -4.136 7.840 0.338 1.00 0.47 O ATOM 254 CB VAL A 19 -4.398 9.163 3.548 1.00 0.55 C ATOM 255 CG1 VAL A 19 -5.418 8.026 3.659 1.00 0.67 C ATOM 256 CG2 VAL A 19 -3.571 9.152 4.841 1.00 0.64 C ATOM 0 H VAL A 19 -2.685 10.818 3.064 1.00 0.44 H new ATOM 0 HA VAL A 19 -2.885 8.133 2.437 1.00 0.46 H new ATOM 0 HB VAL A 19 -4.932 10.104 3.415 1.00 0.55 H new ATOM 0 HG11 VAL A 19 -6.033 8.175 4.546 1.00 0.67 H new ATOM 0 HG12 VAL A 19 -6.054 8.020 2.773 1.00 0.67 H new ATOM 0 HG13 VAL A 19 -4.894 7.073 3.736 1.00 0.67 H new ATOM 0 HG21 VAL A 19 -4.237 9.240 5.700 1.00 0.64 H new ATOM 0 HG22 VAL A 19 -3.013 8.218 4.908 1.00 0.64 H new ATOM 0 HG23 VAL A 19 -2.875 9.991 4.835 1.00 0.64 H new ATOM 266 N HIS A 20 -5.051 9.872 0.621 1.00 0.53 N ATOM 267 CA HIS A 20 -5.909 9.720 -0.549 1.00 0.63 C ATOM 268 C HIS A 20 -5.094 9.656 -1.845 1.00 0.61 C ATOM 269 O HIS A 20 -5.489 8.969 -2.784 1.00 0.64 O ATOM 270 CB HIS A 20 -7.037 10.764 -0.573 1.00 0.78 C ATOM 271 CG HIS A 20 -6.710 12.095 -1.201 1.00 0.79 C ATOM 272 ND1 HIS A 20 -5.576 12.833 -1.013 1.00 0.92 N flip ATOM 273 CD2 HIS A 20 -7.523 12.802 -2.060 1.00 0.86 C flip ATOM 274 CE1 HIS A 20 -5.689 14.004 -1.766 1.00 0.98 C flip ATOM 275 NE2 HIS A 20 -6.882 13.940 -2.379 1.00 1.00 N flip ATOM 0 H HIS A 20 -5.118 10.774 1.092 1.00 0.53 H new ATOM 0 HA HIS A 20 -6.411 8.756 -0.472 1.00 0.63 H new ATOM 0 HB2 HIS A 20 -7.887 10.336 -1.105 1.00 0.78 H new ATOM 0 HB3 HIS A 20 -7.359 10.941 0.453 1.00 0.78 H new ATOM 0 HD2 HIS A 20 -8.497 12.498 -2.413 1.00 0.86 H new ATOM 0 HE1 HIS A 20 -4.963 14.800 -1.840 1.00 0.98 H new ATOM 0 HE2 HIS A 20 -7.252 14.658 -3.002 1.00 1.00 H new ATOM 283 N LYS A 21 -3.948 10.346 -1.894 1.00 0.61 N ATOM 284 CA LYS A 21 -3.034 10.304 -3.026 1.00 0.63 C ATOM 285 C LYS A 21 -2.557 8.868 -3.218 1.00 0.58 C ATOM 286 O LYS A 21 -2.662 8.332 -4.323 1.00 0.63 O ATOM 287 CB LYS A 21 -1.888 11.301 -2.790 1.00 0.67 C ATOM 288 CG LYS A 21 -0.686 11.187 -3.737 1.00 0.76 C ATOM 289 CD LYS A 21 0.167 12.459 -3.582 1.00 1.15 C ATOM 290 CE LYS A 21 1.603 12.312 -4.114 1.00 1.92 C ATOM 291 NZ LYS A 21 2.515 11.708 -3.118 1.00 3.31 N ATOM 0 H LYS A 21 -3.632 10.953 -1.138 1.00 0.61 H new ATOM 0 HA LYS A 21 -3.527 10.607 -3.950 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -2.291 12.311 -2.868 1.00 0.67 H new ATOM 0 HB3 LYS A 21 -1.532 11.178 -1.767 1.00 0.67 H new ATOM 0 HG2 LYS A 21 -0.096 10.302 -3.499 1.00 0.76 H new ATOM 0 HG3 LYS A 21 -1.023 11.078 -4.768 1.00 0.76 H new ATOM 0 HD2 LYS A 21 -0.323 13.280 -4.106 1.00 1.15 H new ATOM 0 HD3 LYS A 21 0.206 12.733 -2.528 1.00 1.15 H new ATOM 0 HE2 LYS A 21 1.593 11.696 -5.014 1.00 1.92 H new ATOM 0 HE3 LYS A 21 1.983 13.292 -4.403 1.00 1.92 H new ATOM 0 HZ1 LYS A 21 3.401 11.428 -3.584 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 2.721 12.401 -2.371 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 2.065 10.870 -2.698 1.00 3.31 H new ATOM 305 N ILE A 22 -2.059 8.245 -2.144 1.00 0.53 N ATOM 306 CA ILE A 22 -1.672 6.842 -2.169 1.00 0.50 C ATOM 307 C ILE A 22 -2.844 6.024 -2.688 1.00 0.55 C ATOM 308 O ILE A 22 -2.726 5.428 -3.754 1.00 0.62 O ATOM 309 CB ILE A 22 -1.204 6.344 -0.789 1.00 0.49 C ATOM 310 CG1 ILE A 22 0.086 7.068 -0.388 1.00 0.47 C ATOM 311 CG2 ILE A 22 -0.946 4.828 -0.823 1.00 0.56 C ATOM 312 CD1 ILE A 22 0.324 6.998 1.117 1.00 0.73 C ATOM 0 H ILE A 22 -1.916 8.701 -1.243 1.00 0.53 H new ATOM 0 HA ILE A 22 -0.818 6.723 -2.836 1.00 0.50 H new ATOM 0 HB ILE A 22 -1.987 6.555 -0.060 1.00 0.49 H new ATOM 0 HG12 ILE A 22 0.932 6.623 -0.912 1.00 0.47 H new ATOM 0 HG13 ILE A 22 0.031 8.111 -0.700 1.00 0.47 H new ATOM 0 HG21 ILE A 22 -0.616 4.493 0.160 1.00 0.56 H new ATOM 0 HG22 ILE A 22 -1.865 4.308 -1.094 1.00 0.56 H new ATOM 0 HG23 ILE A 22 -0.174 4.607 -1.560 1.00 0.56 H new ATOM 0 HD11 ILE A 22 1.247 7.522 1.364 1.00 0.73 H new ATOM 0 HD12 ILE A 22 -0.510 7.467 1.639 1.00 0.73 H new ATOM 0 HD13 ILE A 22 0.405 5.955 1.424 1.00 0.73 H new ATOM 324 N GLU A 23 -3.953 6.007 -1.942 1.00 0.55 N ATOM 325 CA GLU A 23 -5.100 5.156 -2.231 1.00 0.60 C ATOM 326 C GLU A 23 -5.499 5.295 -3.705 1.00 0.58 C ATOM 327 O GLU A 23 -5.407 4.338 -4.479 1.00 0.65 O ATOM 328 CB GLU A 23 -6.240 5.502 -1.255 1.00 0.73 C ATOM 329 CG GLU A 23 -7.218 4.340 -1.027 1.00 1.23 C ATOM 330 CD GLU A 23 -8.023 3.979 -2.269 1.00 2.66 C ATOM 331 OE1 GLU A 23 -8.386 4.922 -3.002 1.00 3.80 O ATOM 332 OE2 GLU A 23 -8.245 2.765 -2.462 1.00 3.49 O ATOM 0 H GLU A 23 -4.076 6.590 -1.114 1.00 0.55 H new ATOM 0 HA GLU A 23 -4.851 4.106 -2.080 1.00 0.60 H new ATOM 0 HB2 GLU A 23 -5.812 5.800 -0.298 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -6.790 6.361 -1.640 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -6.660 3.464 -0.697 1.00 1.23 H new ATOM 0 HG3 GLU A 23 -7.904 4.604 -0.222 1.00 1.23 H new ATOM 339 N SER A 24 -5.853 6.521 -4.098 1.00 0.56 N ATOM 340 CA SER A 24 -6.338 6.835 -5.429 1.00 0.61 C ATOM 341 C SER A 24 -5.364 6.322 -6.486 1.00 0.61 C ATOM 342 O SER A 24 -5.780 5.638 -7.421 1.00 0.67 O ATOM 343 CB SER A 24 -6.574 8.347 -5.545 1.00 0.66 C ATOM 344 OG SER A 24 -7.172 8.674 -6.785 1.00 0.87 O ATOM 0 H SER A 24 -5.807 7.333 -3.483 1.00 0.56 H new ATOM 0 HA SER A 24 -7.289 6.332 -5.602 1.00 0.61 H new ATOM 0 HB2 SER A 24 -7.214 8.682 -4.729 1.00 0.66 H new ATOM 0 HB3 SER A 24 -5.626 8.875 -5.444 1.00 0.66 H new ATOM 0 HG SER A 24 -7.314 9.642 -6.834 1.00 0.87 H new ATOM 350 N SER A 25 -4.065 6.605 -6.326 1.00 0.64 N ATOM 351 CA SER A 25 -3.075 6.132 -7.279 1.00 0.63 C ATOM 352 C SER A 25 -3.112 4.608 -7.323 1.00 0.68 C ATOM 353 O SER A 25 -3.283 4.006 -8.378 1.00 0.88 O ATOM 354 CB SER A 25 -1.679 6.631 -6.892 1.00 0.60 C ATOM 355 OG SER A 25 -1.653 8.043 -6.842 1.00 2.22 O ATOM 0 H SER A 25 -3.687 7.153 -5.553 1.00 0.64 H new ATOM 0 HA SER A 25 -3.307 6.524 -8.269 1.00 0.63 H new ATOM 0 HB2 SER A 25 -1.396 6.222 -5.922 1.00 0.60 H new ATOM 0 HB3 SER A 25 -0.946 6.273 -7.615 1.00 0.60 H new ATOM 0 HG SER A 25 -1.980 8.346 -5.969 1.00 2.22 H new ATOM 361 N LEU A 26 -2.964 3.979 -6.160 1.00 0.62 N ATOM 362 CA LEU A 26 -2.833 2.547 -6.034 1.00 0.68 C ATOM 363 C LEU A 26 -3.991 1.808 -6.706 1.00 0.60 C ATOM 364 O LEU A 26 -3.774 0.770 -7.326 1.00 0.62 O ATOM 365 CB LEU A 26 -2.722 2.200 -4.549 1.00 0.81 C ATOM 366 CG LEU A 26 -1.595 1.225 -4.234 1.00 0.76 C ATOM 367 CD1 LEU A 26 -1.593 1.026 -2.721 1.00 2.36 C ATOM 368 CD2 LEU A 26 -1.806 -0.096 -4.957 1.00 2.42 C ATOM 0 H LEU A 26 -2.932 4.469 -5.266 1.00 0.62 H new ATOM 0 HA LEU A 26 -1.931 2.219 -6.551 1.00 0.68 H new ATOM 0 HB2 LEU A 26 -2.567 3.117 -3.981 1.00 0.81 H new ATOM 0 HB3 LEU A 26 -3.666 1.772 -4.213 1.00 0.81 H new ATOM 0 HG LEU A 26 -0.636 1.617 -4.572 1.00 0.76 H new ATOM 0 HD11 LEU A 26 -0.799 0.332 -2.446 1.00 2.36 H new ATOM 0 HD12 LEU A 26 -1.425 1.984 -2.228 1.00 2.36 H new ATOM 0 HD13 LEU A 26 -2.554 0.620 -2.406 1.00 2.36 H new ATOM 0 HD21 LEU A 26 -0.989 -0.777 -4.717 1.00 2.42 H new ATOM 0 HD22 LEU A 26 -2.751 -0.537 -4.640 1.00 2.42 H new ATOM 0 HD23 LEU A 26 -1.829 0.078 -6.033 1.00 2.42 H new ATOM 380 N THR A 27 -5.218 2.336 -6.633 1.00 0.66 N ATOM 381 CA THR A 27 -6.346 1.666 -7.274 1.00 0.66 C ATOM 382 C THR A 27 -6.129 1.392 -8.771 1.00 0.64 C ATOM 383 O THR A 27 -6.691 0.427 -9.289 1.00 1.14 O ATOM 384 CB THR A 27 -7.681 2.374 -7.008 1.00 0.98 C ATOM 385 OG1 THR A 27 -7.697 3.678 -7.556 1.00 2.56 O ATOM 386 CG2 THR A 27 -8.035 2.392 -5.521 1.00 1.50 C ATOM 0 H THR A 27 -5.449 3.203 -6.148 1.00 0.66 H new ATOM 0 HA THR A 27 -6.403 0.687 -6.797 1.00 0.66 H new ATOM 0 HB THR A 27 -8.452 1.793 -7.515 1.00 0.98 H new ATOM 0 HG1 THR A 27 -6.868 4.143 -7.318 1.00 2.56 H new ATOM 0 HG21 THR A 27 -8.987 2.903 -5.380 1.00 1.50 H new ATOM 0 HG22 THR A 27 -8.114 1.369 -5.153 1.00 1.50 H new ATOM 0 HG23 THR A 27 -7.256 2.917 -4.968 1.00 1.50 H new ATOM 394 N LYS A 28 -5.301 2.175 -9.483 1.00 0.70 N ATOM 395 CA LYS A 28 -5.044 1.888 -10.893 1.00 0.75 C ATOM 396 C LYS A 28 -4.105 0.695 -11.112 1.00 0.85 C ATOM 397 O LYS A 28 -3.839 0.341 -12.263 1.00 1.33 O ATOM 398 CB LYS A 28 -4.578 3.128 -11.676 1.00 1.00 C ATOM 399 CG LYS A 28 -3.246 3.748 -11.240 1.00 1.40 C ATOM 400 CD LYS A 28 -2.315 4.141 -12.399 1.00 2.51 C ATOM 401 CE LYS A 28 -1.383 3.006 -12.861 1.00 3.82 C ATOM 402 NZ LYS A 28 -2.080 1.921 -13.584 1.00 4.89 N ATOM 0 H LYS A 28 -4.812 2.990 -9.112 1.00 0.70 H new ATOM 0 HA LYS A 28 -6.011 1.594 -11.302 1.00 0.75 H new ATOM 0 HB2 LYS A 28 -4.501 2.858 -12.729 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -5.352 3.892 -11.599 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.452 4.634 -10.640 1.00 1.40 H new ATOM 0 HG3 LYS A 28 -2.724 3.040 -10.596 1.00 1.40 H new ATOM 0 HD2 LYS A 28 -2.921 4.468 -13.244 1.00 2.51 H new ATOM 0 HD3 LYS A 28 -1.709 4.994 -12.093 1.00 2.51 H new ATOM 0 HE2 LYS A 28 -0.610 3.423 -13.507 1.00 3.82 H new ATOM 0 HE3 LYS A 28 -0.879 2.585 -11.991 1.00 3.82 H new ATOM 0 HZ1 LYS A 28 -1.421 1.468 -14.250 1.00 4.89 H new ATOM 0 HZ2 LYS A 28 -2.424 1.215 -12.902 1.00 4.89 H new ATOM 0 HZ3 LYS A 28 -2.886 2.316 -14.109 1.00 4.89 H new ATOM 416 N HIS A 29 -3.549 0.091 -10.061 1.00 0.69 N ATOM 417 CA HIS A 29 -2.662 -1.058 -10.175 1.00 1.03 C ATOM 418 C HIS A 29 -3.544 -2.299 -10.164 1.00 1.22 C ATOM 419 O HIS A 29 -3.549 -3.044 -9.194 1.00 2.12 O ATOM 420 CB HIS A 29 -1.631 -1.056 -9.033 1.00 1.22 C ATOM 421 CG HIS A 29 -0.703 0.131 -9.082 1.00 1.13 C ATOM 422 ND1 HIS A 29 0.660 0.099 -9.277 1.00 1.80 N ATOM 423 CD2 HIS A 29 -1.078 1.446 -9.055 1.00 1.32 C ATOM 424 CE1 HIS A 29 1.071 1.373 -9.402 1.00 1.58 C ATOM 425 NE2 HIS A 29 0.047 2.234 -9.288 1.00 1.47 N ATOM 0 H HIS A 29 -3.706 0.392 -9.099 1.00 0.69 H new ATOM 0 HA HIS A 29 -2.084 -1.031 -11.099 1.00 1.03 H new ATOM 0 HB2 HIS A 29 -2.155 -1.062 -8.077 1.00 1.22 H new ATOM 0 HB3 HIS A 29 -1.043 -1.973 -9.080 1.00 1.22 H new ATOM 0 HD1 HIS A 29 1.247 -0.734 -9.319 1.00 1.80 H new ATOM 0 HD2 HIS A 29 -2.079 1.812 -8.882 1.00 1.32 H new ATOM 0 HE1 HIS A 29 2.096 1.667 -9.573 1.00 1.58 H new ATOM 433 N ARG A 30 -4.320 -2.493 -11.235 1.00 0.93 N ATOM 434 CA ARG A 30 -5.495 -3.368 -11.291 1.00 1.02 C ATOM 435 C ARG A 30 -5.363 -4.792 -10.725 1.00 0.89 C ATOM 436 O ARG A 30 -6.388 -5.427 -10.495 1.00 1.72 O ATOM 437 CB ARG A 30 -6.024 -3.417 -12.736 1.00 1.41 C ATOM 438 CG ARG A 30 -7.088 -2.344 -13.004 1.00 2.41 C ATOM 439 CD ARG A 30 -8.426 -2.732 -12.357 1.00 3.68 C ATOM 440 NE ARG A 30 -9.485 -1.763 -12.676 1.00 4.65 N ATOM 441 CZ ARG A 30 -10.745 -1.841 -12.217 1.00 5.84 C ATOM 442 NH1 ARG A 30 -11.094 -2.846 -11.406 1.00 6.39 N ATOM 443 NH2 ARG A 30 -11.647 -0.920 -12.573 1.00 6.95 N ATOM 0 H ARG A 30 -4.139 -2.025 -12.123 1.00 0.93 H new ATOM 0 HA ARG A 30 -6.199 -2.901 -10.602 1.00 1.02 H new ATOM 0 HB2 ARG A 30 -5.194 -3.283 -13.429 1.00 1.41 H new ATOM 0 HB3 ARG A 30 -6.447 -4.402 -12.932 1.00 1.41 H new ATOM 0 HG2 ARG A 30 -6.752 -1.385 -12.609 1.00 2.41 H new ATOM 0 HG3 ARG A 30 -7.221 -2.217 -14.078 1.00 2.41 H new ATOM 0 HD2 ARG A 30 -8.723 -3.723 -12.701 1.00 3.68 H new ATOM 0 HD3 ARG A 30 -8.303 -2.794 -11.276 1.00 3.68 H new ATOM 0 HE ARG A 30 -9.247 -0.981 -13.286 1.00 4.65 H new ATOM 0 HH11 ARG A 30 -10.405 -3.549 -11.139 1.00 6.39 H new ATOM 0 HH12 ARG A 30 -12.050 -2.910 -11.055 1.00 6.39 H new ATOM 0 HH21 ARG A 30 -11.379 -0.157 -13.194 1.00 6.95 H new ATOM 0 HH22 ARG A 30 -12.603 -0.981 -12.223 1.00 6.95 H new ATOM 457 N GLY A 31 -4.153 -5.309 -10.504 1.00 0.69 N ATOM 458 CA GLY A 31 -3.959 -6.586 -9.830 1.00 0.75 C ATOM 459 C GLY A 31 -4.136 -6.497 -8.308 1.00 0.73 C ATOM 460 O GLY A 31 -4.127 -7.525 -7.628 1.00 1.08 O ATOM 0 H GLY A 31 -3.286 -4.853 -10.787 1.00 0.69 H new ATOM 0 HA2 GLY A 31 -4.666 -7.312 -10.230 1.00 0.75 H new ATOM 0 HA3 GLY A 31 -2.959 -6.959 -10.052 1.00 0.75 H new ATOM 464 N ILE A 32 -4.296 -5.286 -7.761 1.00 0.70 N ATOM 465 CA ILE A 32 -4.715 -5.098 -6.388 1.00 0.73 C ATOM 466 C ILE A 32 -6.229 -5.302 -6.339 1.00 0.75 C ATOM 467 O ILE A 32 -6.957 -4.830 -7.211 1.00 0.95 O ATOM 468 CB ILE A 32 -4.258 -3.739 -5.826 1.00 0.86 C ATOM 469 CG1 ILE A 32 -4.976 -2.530 -6.449 1.00 1.52 C ATOM 470 CG2 ILE A 32 -2.736 -3.612 -5.948 1.00 1.54 C ATOM 471 CD1 ILE A 32 -6.173 -2.117 -5.591 1.00 2.41 C ATOM 0 H ILE A 32 -4.136 -4.415 -8.267 1.00 0.70 H new ATOM 0 HA ILE A 32 -4.237 -5.830 -5.736 1.00 0.73 H new ATOM 0 HB ILE A 32 -4.543 -3.722 -4.774 1.00 0.86 H new ATOM 0 HG12 ILE A 32 -4.282 -1.695 -6.541 1.00 1.52 H new ATOM 0 HG13 ILE A 32 -5.311 -2.778 -7.456 1.00 1.52 H new ATOM 0 HG21 ILE A 32 -2.418 -2.649 -5.549 1.00 1.54 H new ATOM 0 HG22 ILE A 32 -2.258 -4.414 -5.385 1.00 1.54 H new ATOM 0 HG23 ILE A 32 -2.448 -3.683 -6.997 1.00 1.54 H new ATOM 0 HD11 ILE A 32 -6.669 -1.260 -6.047 1.00 2.41 H new ATOM 0 HD12 ILE A 32 -6.875 -2.948 -5.522 1.00 2.41 H new ATOM 0 HD13 ILE A 32 -5.829 -1.848 -4.592 1.00 2.41 H new ATOM 483 N LEU A 33 -6.699 -6.011 -5.319 1.00 0.72 N ATOM 484 CA LEU A 33 -8.108 -6.244 -5.067 1.00 0.75 C ATOM 485 C LEU A 33 -8.688 -5.077 -4.269 1.00 0.68 C ATOM 486 O LEU A 33 -9.829 -4.682 -4.496 1.00 0.81 O ATOM 487 CB LEU A 33 -8.270 -7.557 -4.287 1.00 0.81 C ATOM 488 CG LEU A 33 -7.899 -8.802 -5.112 1.00 1.08 C ATOM 489 CD1 LEU A 33 -7.713 -10.002 -4.176 1.00 2.16 C ATOM 490 CD2 LEU A 33 -8.994 -9.122 -6.138 1.00 1.67 C ATOM 0 H LEU A 33 -6.090 -6.450 -4.628 1.00 0.72 H new ATOM 0 HA LEU A 33 -8.645 -6.321 -6.012 1.00 0.75 H new ATOM 0 HB2 LEU A 33 -7.645 -7.521 -3.394 1.00 0.81 H new ATOM 0 HB3 LEU A 33 -9.303 -7.647 -3.950 1.00 0.81 H new ATOM 0 HG LEU A 33 -6.970 -8.599 -5.645 1.00 1.08 H new ATOM 0 HD11 LEU A 33 -7.450 -10.883 -4.762 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -6.915 -9.788 -3.464 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -8.641 -10.189 -3.636 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -8.710 -10.006 -6.710 1.00 1.67 H new ATOM 0 HD22 LEU A 33 -9.934 -9.312 -5.620 1.00 1.67 H new ATOM 0 HD23 LEU A 33 -9.117 -8.276 -6.815 1.00 1.67 H new ATOM 502 N TYR A 34 -7.929 -4.558 -3.298 1.00 0.57 N ATOM 503 CA TYR A 34 -8.410 -3.549 -2.368 1.00 0.59 C ATOM 504 C TYR A 34 -7.213 -2.792 -1.810 1.00 0.51 C ATOM 505 O TYR A 34 -6.134 -3.378 -1.714 1.00 0.46 O ATOM 506 CB TYR A 34 -9.155 -4.259 -1.231 1.00 0.69 C ATOM 507 CG TYR A 34 -9.858 -3.354 -0.246 1.00 0.75 C ATOM 508 CD1 TYR A 34 -10.902 -2.514 -0.674 1.00 1.91 C ATOM 509 CD2 TYR A 34 -9.511 -3.406 1.116 1.00 2.24 C ATOM 510 CE1 TYR A 34 -11.556 -1.681 0.249 1.00 1.97 C ATOM 511 CE2 TYR A 34 -10.193 -2.602 2.041 1.00 2.34 C ATOM 512 CZ TYR A 34 -11.175 -1.700 1.600 1.00 1.12 C ATOM 513 OH TYR A 34 -11.672 -0.771 2.462 1.00 1.31 O ATOM 0 H TYR A 34 -6.959 -4.832 -3.140 1.00 0.57 H new ATOM 0 HA TYR A 34 -9.081 -2.848 -2.866 1.00 0.59 H new ATOM 0 HB2 TYR A 34 -9.892 -4.932 -1.668 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -8.443 -4.877 -0.685 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -11.201 -2.509 -1.712 1.00 1.91 H new ATOM 0 HD2 TYR A 34 -8.721 -4.063 1.449 1.00 2.24 H new ATOM 0 HE1 TYR A 34 -12.350 -1.027 -0.080 1.00 1.97 H new ATOM 0 HE2 TYR A 34 -9.963 -2.677 3.094 1.00 2.34 H new ATOM 0 HH TYR A 34 -10.934 -0.345 2.945 1.00 1.31 H new ATOM 523 N CYS A 35 -7.408 -1.536 -1.397 1.00 0.56 N ATOM 524 CA CYS A 35 -6.454 -0.792 -0.587 1.00 0.55 C ATOM 525 C CYS A 35 -7.185 -0.228 0.635 1.00 0.66 C ATOM 526 O CYS A 35 -8.371 0.087 0.558 1.00 1.17 O ATOM 527 CB CYS A 35 -5.828 0.328 -1.418 1.00 0.64 C ATOM 528 SG CYS A 35 -4.653 1.239 -0.390 1.00 2.26 S ATOM 0 H CYS A 35 -8.249 -1.004 -1.623 1.00 0.56 H new ATOM 0 HA CYS A 35 -5.650 -1.448 -0.251 1.00 0.55 H new ATOM 0 HB2 CYS A 35 -5.322 -0.088 -2.289 1.00 0.64 H new ATOM 0 HB3 CYS A 35 -6.603 0.999 -1.789 1.00 0.64 H new ATOM 0 HG CYS A 35 -4.113 2.193 -1.089 1.00 2.26 H new ATOM 534 N SER A 36 -6.508 -0.125 1.782 1.00 0.44 N ATOM 535 CA SER A 36 -6.954 0.665 2.918 1.00 0.54 C ATOM 536 C SER A 36 -5.749 1.215 3.674 1.00 0.48 C ATOM 537 O SER A 36 -5.040 0.469 4.352 1.00 0.66 O ATOM 538 CB SER A 36 -7.887 -0.140 3.822 1.00 0.74 C ATOM 539 OG SER A 36 -9.171 -0.146 3.233 1.00 2.13 O ATOM 0 H SER A 36 -5.620 -0.599 1.943 1.00 0.44 H new ATOM 0 HA SER A 36 -7.535 1.512 2.553 1.00 0.54 H new ATOM 0 HB2 SER A 36 -7.517 -1.159 3.940 1.00 0.74 H new ATOM 0 HB3 SER A 36 -7.927 0.302 4.818 1.00 0.74 H new ATOM 0 HG SER A 36 -9.199 -0.813 2.515 1.00 2.13 H new ATOM 545 N VAL A 37 -5.535 2.525 3.543 1.00 0.45 N ATOM 546 CA VAL A 37 -4.481 3.288 4.195 1.00 0.48 C ATOM 547 C VAL A 37 -5.008 3.939 5.475 1.00 0.53 C ATOM 548 O VAL A 37 -6.164 4.351 5.528 1.00 0.68 O ATOM 549 CB VAL A 37 -3.904 4.342 3.232 1.00 0.76 C ATOM 550 CG1 VAL A 37 -2.785 3.757 2.374 1.00 1.27 C ATOM 551 CG2 VAL A 37 -4.969 4.936 2.307 1.00 1.99 C ATOM 0 H VAL A 37 -6.124 3.108 2.948 1.00 0.45 H new ATOM 0 HA VAL A 37 -3.675 2.608 4.470 1.00 0.48 H new ATOM 0 HB VAL A 37 -3.509 5.137 3.865 1.00 0.76 H new ATOM 0 HG11 VAL A 37 -2.399 4.526 1.705 1.00 1.27 H new ATOM 0 HG12 VAL A 37 -1.981 3.400 3.018 1.00 1.27 H new ATOM 0 HG13 VAL A 37 -3.174 2.926 1.785 1.00 1.27 H new ATOM 0 HG21 VAL A 37 -4.509 5.673 1.649 1.00 1.99 H new ATOM 0 HG22 VAL A 37 -5.414 4.142 1.707 1.00 1.99 H new ATOM 0 HG23 VAL A 37 -5.743 5.416 2.905 1.00 1.99 H new ATOM 561 N ALA A 38 -4.156 4.041 6.502 1.00 0.53 N ATOM 562 CA ALA A 38 -4.469 4.712 7.758 1.00 0.73 C ATOM 563 C ALA A 38 -3.214 5.396 8.296 1.00 0.67 C ATOM 564 O ALA A 38 -2.224 4.715 8.560 1.00 0.66 O ATOM 565 CB ALA A 38 -4.989 3.689 8.771 1.00 0.91 C ATOM 0 H ALA A 38 -3.214 3.651 6.478 1.00 0.53 H new ATOM 0 HA ALA A 38 -5.239 5.465 7.589 1.00 0.73 H new ATOM 0 HB1 ALA A 38 -5.222 4.192 9.709 1.00 0.91 H new ATOM 0 HB2 ALA A 38 -5.889 3.215 8.380 1.00 0.91 H new ATOM 0 HB3 ALA A 38 -4.226 2.930 8.946 1.00 0.91 H new ATOM 571 N LEU A 39 -3.256 6.722 8.482 1.00 0.76 N ATOM 572 CA LEU A 39 -2.134 7.521 8.981 1.00 0.71 C ATOM 573 C LEU A 39 -1.994 7.487 10.505 1.00 0.66 C ATOM 574 O LEU A 39 -0.965 7.900 11.035 1.00 0.90 O ATOM 575 CB LEU A 39 -2.163 8.953 8.422 1.00 0.99 C ATOM 576 CG LEU A 39 -3.438 9.790 8.649 1.00 0.83 C ATOM 577 CD1 LEU A 39 -3.782 10.022 10.125 1.00 1.50 C ATOM 578 CD2 LEU A 39 -3.224 11.161 7.998 1.00 1.17 C ATOM 0 H LEU A 39 -4.088 7.278 8.285 1.00 0.76 H new ATOM 0 HA LEU A 39 -1.229 7.046 8.601 1.00 0.71 H new ATOM 0 HB2 LEU A 39 -1.324 9.498 8.854 1.00 0.99 H new ATOM 0 HB3 LEU A 39 -1.987 8.896 7.348 1.00 0.99 H new ATOM 0 HG LEU A 39 -4.265 9.229 8.213 1.00 0.83 H new ATOM 0 HD11 LEU A 39 -4.691 10.619 10.197 1.00 1.50 H new ATOM 0 HD12 LEU A 39 -3.938 9.062 10.618 1.00 1.50 H new ATOM 0 HD13 LEU A 39 -2.962 10.550 10.611 1.00 1.50 H new ATOM 0 HD21 LEU A 39 -4.112 11.776 8.143 1.00 1.17 H new ATOM 0 HD22 LEU A 39 -2.365 11.651 8.456 1.00 1.17 H new ATOM 0 HD23 LEU A 39 -3.042 11.033 6.931 1.00 1.17 H new ATOM 590 N ALA A 40 -3.004 6.978 11.216 1.00 0.80 N ATOM 591 CA ALA A 40 -2.895 6.752 12.651 1.00 1.03 C ATOM 592 C ALA A 40 -1.972 5.557 12.875 1.00 1.04 C ATOM 593 O ALA A 40 -1.034 5.608 13.660 1.00 1.46 O ATOM 594 CB ALA A 40 -4.287 6.509 13.244 1.00 1.34 C ATOM 0 H ALA A 40 -3.905 6.716 10.816 1.00 0.80 H new ATOM 0 HA ALA A 40 -2.475 7.624 13.152 1.00 1.03 H new ATOM 0 HB1 ALA A 40 -4.201 6.340 14.317 1.00 1.34 H new ATOM 0 HB2 ALA A 40 -4.917 7.380 13.063 1.00 1.34 H new ATOM 0 HB3 ALA A 40 -4.735 5.633 12.774 1.00 1.34 H new ATOM 600 N THR A 41 -2.254 4.475 12.150 1.00 0.78 N ATOM 601 CA THR A 41 -1.486 3.243 12.172 1.00 0.83 C ATOM 602 C THR A 41 -0.218 3.363 11.314 1.00 0.80 C ATOM 603 O THR A 41 0.743 2.628 11.521 1.00 1.15 O ATOM 604 CB THR A 41 -2.401 2.131 11.651 1.00 1.01 C ATOM 605 OG1 THR A 41 -3.733 2.350 12.075 1.00 1.69 O ATOM 606 CG2 THR A 41 -1.934 0.749 12.119 1.00 1.68 C ATOM 0 H THR A 41 -3.050 4.437 11.513 1.00 0.78 H new ATOM 0 HA THR A 41 -1.152 3.021 13.186 1.00 0.83 H new ATOM 0 HB THR A 41 -2.356 2.155 10.562 1.00 1.01 H new ATOM 0 HG1 THR A 41 -4.307 1.633 11.734 1.00 1.69 H new ATOM 0 HG21 THR A 41 -2.608 -0.014 11.729 1.00 1.68 H new ATOM 0 HG22 THR A 41 -0.924 0.563 11.753 1.00 1.68 H new ATOM 0 HG23 THR A 41 -1.937 0.714 13.208 1.00 1.68 H new ATOM 614 N ASN A 42 -0.244 4.253 10.314 1.00 0.62 N ATOM 615 CA ASN A 42 0.783 4.425 9.291 1.00 0.68 C ATOM 616 C ASN A 42 0.881 3.165 8.448 1.00 0.77 C ATOM 617 O ASN A 42 1.976 2.729 8.113 1.00 1.17 O ATOM 618 CB ASN A 42 2.138 4.846 9.885 1.00 0.81 C ATOM 619 CG ASN A 42 1.961 6.080 10.750 1.00 0.71 C ATOM 620 OD1 ASN A 42 1.490 7.160 10.142 1.00 1.48 O flip ATOM 621 ND2 ASN A 42 2.176 6.046 11.957 1.00 1.20 N flip ATOM 0 H ASN A 42 -1.022 4.902 10.195 1.00 0.62 H new ATOM 0 HA ASN A 42 0.487 5.248 8.641 1.00 0.68 H new ATOM 0 HB2 ASN A 42 2.554 4.032 10.478 1.00 0.81 H new ATOM 0 HB3 ASN A 42 2.848 5.051 9.084 1.00 0.81 H new ATOM 0 HD21 ASN A 42 2.539 5.195 12.387 1.00 1.20 H new ATOM 0 HD22 ASN A 42 1.992 6.869 12.531 1.00 1.20 H new ATOM 628 N LYS A 43 -0.270 2.587 8.093 1.00 0.56 N ATOM 629 CA LYS A 43 -0.370 1.276 7.469 1.00 0.57 C ATOM 630 C LYS A 43 -1.110 1.429 6.155 1.00 0.48 C ATOM 631 O LYS A 43 -1.990 2.283 6.053 1.00 0.53 O ATOM 632 CB LYS A 43 -1.034 0.280 8.444 1.00 0.68 C ATOM 633 CG LYS A 43 -1.887 -0.855 7.852 1.00 1.84 C ATOM 634 CD LYS A 43 -3.349 -0.427 7.592 1.00 1.35 C ATOM 635 CE LYS A 43 -4.221 -0.425 8.861 1.00 1.58 C ATOM 636 NZ LYS A 43 -4.653 -1.782 9.256 1.00 2.79 N ATOM 0 H LYS A 43 -1.176 3.033 8.237 1.00 0.56 H new ATOM 0 HA LYS A 43 0.614 0.863 7.245 1.00 0.57 H new ATOM 0 HB2 LYS A 43 -0.246 -0.174 9.045 1.00 0.68 H new ATOM 0 HB3 LYS A 43 -1.665 0.851 9.125 1.00 0.68 H new ATOM 0 HG2 LYS A 43 -1.439 -1.191 6.917 1.00 1.84 H new ATOM 0 HG3 LYS A 43 -1.877 -1.705 8.534 1.00 1.84 H new ATOM 0 HD2 LYS A 43 -3.355 0.571 7.155 1.00 1.35 H new ATOM 0 HD3 LYS A 43 -3.791 -1.100 6.857 1.00 1.35 H new ATOM 0 HE2 LYS A 43 -3.662 0.027 9.680 1.00 1.58 H new ATOM 0 HE3 LYS A 43 -5.100 0.197 8.692 1.00 1.58 H new ATOM 0 HZ1 LYS A 43 -4.996 -1.765 10.238 1.00 2.79 H new ATOM 0 HZ2 LYS A 43 -5.418 -2.100 8.627 1.00 2.79 H new ATOM 0 HZ3 LYS A 43 -3.849 -2.438 9.182 1.00 2.79 H new ATOM 650 N ALA A 44 -0.768 0.580 5.188 1.00 0.63 N ATOM 651 CA ALA A 44 -1.548 0.354 3.988 1.00 0.58 C ATOM 652 C ALA A 44 -1.807 -1.142 3.875 1.00 0.63 C ATOM 653 O ALA A 44 -0.879 -1.908 3.637 1.00 0.80 O ATOM 654 CB ALA A 44 -0.806 0.919 2.780 1.00 0.67 C ATOM 0 H ALA A 44 0.083 0.019 5.225 1.00 0.63 H new ATOM 0 HA ALA A 44 -2.509 0.867 4.030 1.00 0.58 H new ATOM 0 HB1 ALA A 44 -1.395 0.748 1.879 1.00 0.67 H new ATOM 0 HB2 ALA A 44 -0.653 1.990 2.915 1.00 0.67 H new ATOM 0 HB3 ALA A 44 0.160 0.424 2.682 1.00 0.67 H new ATOM 660 N HIS A 45 -3.060 -1.550 4.088 1.00 0.59 N ATOM 661 CA HIS A 45 -3.531 -2.885 3.773 1.00 0.68 C ATOM 662 C HIS A 45 -3.876 -2.885 2.293 1.00 0.66 C ATOM 663 O HIS A 45 -4.901 -2.326 1.913 1.00 0.68 O ATOM 664 CB HIS A 45 -4.720 -3.256 4.676 1.00 0.74 C ATOM 665 CG HIS A 45 -5.076 -4.718 4.584 1.00 0.90 C ATOM 666 ND1 HIS A 45 -4.958 -5.681 5.564 1.00 1.12 N ATOM 667 CD2 HIS A 45 -5.459 -5.351 3.440 1.00 1.04 C ATOM 668 CE1 HIS A 45 -5.294 -6.859 5.014 1.00 1.36 C ATOM 669 NE2 HIS A 45 -5.598 -6.713 3.714 1.00 1.34 N ATOM 0 H HIS A 45 -3.779 -0.949 4.490 1.00 0.59 H new ATOM 0 HA HIS A 45 -2.774 -3.646 3.963 1.00 0.68 H new ATOM 0 HB2 HIS A 45 -4.479 -3.008 5.710 1.00 0.74 H new ATOM 0 HB3 HIS A 45 -5.586 -2.656 4.397 1.00 0.74 H new ATOM 0 HD1 HIS A 45 -4.668 -5.527 6.530 1.00 1.12 H new ATOM 0 HD2 HIS A 45 -5.627 -4.879 2.483 1.00 1.04 H new ATOM 0 HE1 HIS A 45 -5.317 -7.799 5.546 1.00 1.36 H new ATOM 677 N ILE A 46 -3.030 -3.505 1.469 1.00 0.71 N ATOM 678 CA ILE A 46 -3.331 -3.797 0.082 1.00 0.66 C ATOM 679 C ILE A 46 -3.666 -5.282 0.014 1.00 0.71 C ATOM 680 O ILE A 46 -2.851 -6.120 0.402 1.00 1.10 O ATOM 681 CB ILE A 46 -2.152 -3.433 -0.839 1.00 0.75 C ATOM 682 CG1 ILE A 46 -2.030 -1.919 -1.059 1.00 1.58 C ATOM 683 CG2 ILE A 46 -2.349 -4.067 -2.224 1.00 1.41 C ATOM 684 CD1 ILE A 46 -1.631 -1.136 0.191 1.00 1.65 C ATOM 0 H ILE A 46 -2.104 -3.820 1.759 1.00 0.71 H new ATOM 0 HA ILE A 46 -4.172 -3.198 -0.269 1.00 0.66 H new ATOM 0 HB ILE A 46 -1.254 -3.805 -0.346 1.00 0.75 H new ATOM 0 HG12 ILE A 46 -1.293 -1.735 -1.841 1.00 1.58 H new ATOM 0 HG13 ILE A 46 -2.984 -1.538 -1.424 1.00 1.58 H new ATOM 0 HG21 ILE A 46 -1.510 -3.803 -2.868 1.00 1.41 H new ATOM 0 HG22 ILE A 46 -2.403 -5.151 -2.124 1.00 1.41 H new ATOM 0 HG23 ILE A 46 -3.275 -3.697 -2.665 1.00 1.41 H new ATOM 0 HD11 ILE A 46 -1.567 -0.075 -0.049 1.00 1.65 H new ATOM 0 HD12 ILE A 46 -2.379 -1.287 0.969 1.00 1.65 H new ATOM 0 HD13 ILE A 46 -0.662 -1.487 0.546 1.00 1.65 H new ATOM 696 N LYS A 47 -4.850 -5.614 -0.496 1.00 0.47 N ATOM 697 CA LYS A 47 -5.126 -6.960 -0.958 1.00 0.54 C ATOM 698 C LYS A 47 -4.838 -7.005 -2.452 1.00 0.52 C ATOM 699 O LYS A 47 -5.050 -6.007 -3.140 1.00 0.72 O ATOM 700 CB LYS A 47 -6.577 -7.338 -0.684 1.00 0.67 C ATOM 701 CG LYS A 47 -6.865 -7.571 0.804 1.00 0.76 C ATOM 702 CD LYS A 47 -8.016 -8.575 0.983 1.00 1.03 C ATOM 703 CE LYS A 47 -7.514 -10.004 0.717 1.00 2.30 C ATOM 704 NZ LYS A 47 -8.579 -11.020 0.732 1.00 2.58 N ATOM 0 H LYS A 47 -5.630 -4.964 -0.597 1.00 0.47 H new ATOM 0 HA LYS A 47 -4.497 -7.675 -0.427 1.00 0.54 H new ATOM 0 HB2 LYS A 47 -7.229 -6.547 -1.055 1.00 0.67 H new ATOM 0 HB3 LYS A 47 -6.823 -8.242 -1.242 1.00 0.67 H new ATOM 0 HG2 LYS A 47 -5.969 -7.945 1.299 1.00 0.76 H new ATOM 0 HG3 LYS A 47 -7.122 -6.626 1.282 1.00 0.76 H new ATOM 0 HD2 LYS A 47 -8.417 -8.504 1.994 1.00 1.03 H new ATOM 0 HD3 LYS A 47 -8.830 -8.333 0.299 1.00 1.03 H new ATOM 0 HE2 LYS A 47 -7.014 -10.029 -0.251 1.00 2.30 H new ATOM 0 HE3 LYS A 47 -6.767 -10.263 1.468 1.00 2.30 H new ATOM 0 HZ1 LYS A 47 -8.168 -11.957 0.546 1.00 2.58 H new ATOM 0 HZ2 LYS A 47 -9.042 -11.024 1.663 1.00 2.58 H new ATOM 0 HZ3 LYS A 47 -9.281 -10.798 -0.003 1.00 2.58 H new ATOM 718 N TYR A 48 -4.349 -8.139 -2.954 1.00 0.70 N ATOM 719 CA TYR A 48 -3.811 -8.242 -4.299 1.00 0.74 C ATOM 720 C TYR A 48 -3.709 -9.700 -4.716 1.00 0.69 C ATOM 721 O TYR A 48 -3.618 -10.571 -3.852 1.00 0.75 O ATOM 722 CB TYR A 48 -2.421 -7.594 -4.354 1.00 0.82 C ATOM 723 CG TYR A 48 -1.330 -8.384 -3.643 1.00 0.79 C ATOM 724 CD1 TYR A 48 -1.348 -8.542 -2.243 1.00 1.56 C ATOM 725 CD2 TYR A 48 -0.366 -9.074 -4.399 1.00 1.74 C ATOM 726 CE1 TYR A 48 -0.446 -9.426 -1.622 1.00 1.72 C ATOM 727 CE2 TYR A 48 0.638 -9.819 -3.758 1.00 1.74 C ATOM 728 CZ TYR A 48 0.577 -10.028 -2.374 1.00 1.05 C ATOM 729 OH TYR A 48 1.521 -10.799 -1.765 1.00 1.21 O ATOM 0 H TYR A 48 -4.318 -9.014 -2.431 1.00 0.70 H new ATOM 0 HA TYR A 48 -4.481 -7.723 -4.984 1.00 0.74 H new ATOM 0 HB2 TYR A 48 -2.136 -7.463 -5.398 1.00 0.82 H new ATOM 0 HB3 TYR A 48 -2.479 -6.599 -3.912 1.00 0.82 H new ATOM 0 HD1 TYR A 48 -2.054 -7.984 -1.646 1.00 1.56 H new ATOM 0 HD2 TYR A 48 -0.397 -9.031 -5.478 1.00 1.74 H new ATOM 0 HE1 TYR A 48 -0.540 -9.642 -0.568 1.00 1.72 H new ATOM 0 HE2 TYR A 48 1.456 -10.230 -4.331 1.00 1.74 H new ATOM 0 HH TYR A 48 2.151 -11.136 -2.436 1.00 1.21 H new ATOM 739 N ASP A 49 -3.665 -9.932 -6.028 1.00 0.71 N ATOM 740 CA ASP A 49 -3.359 -11.235 -6.595 1.00 0.75 C ATOM 741 C ASP A 49 -1.883 -11.233 -7.028 1.00 0.75 C ATOM 742 O ASP A 49 -1.478 -10.385 -7.827 1.00 0.84 O ATOM 743 CB ASP A 49 -4.310 -11.531 -7.758 1.00 0.96 C ATOM 744 CG ASP A 49 -5.717 -11.852 -7.278 1.00 2.31 C ATOM 745 OD1 ASP A 49 -5.858 -12.885 -6.589 1.00 3.40 O ATOM 746 OD2 ASP A 49 -6.623 -11.059 -7.608 1.00 3.40 O ATOM 0 H ASP A 49 -3.843 -9.212 -6.728 1.00 0.71 H new ATOM 0 HA ASP A 49 -3.503 -12.028 -5.862 1.00 0.75 H new ATOM 0 HB2 ASP A 49 -4.343 -10.671 -8.427 1.00 0.96 H new ATOM 0 HB3 ASP A 49 -3.924 -12.370 -8.337 1.00 0.96 H new ATOM 751 N PRO A 50 -1.047 -12.138 -6.491 1.00 0.81 N ATOM 752 CA PRO A 50 0.400 -12.061 -6.637 1.00 0.91 C ATOM 753 C PRO A 50 0.864 -12.268 -8.078 1.00 1.10 C ATOM 754 O PRO A 50 1.813 -11.624 -8.517 1.00 2.04 O ATOM 755 CB PRO A 50 0.973 -13.117 -5.686 1.00 1.14 C ATOM 756 CG PRO A 50 -0.168 -14.122 -5.524 1.00 1.13 C ATOM 757 CD PRO A 50 -1.416 -13.246 -5.626 1.00 0.93 C ATOM 0 HA PRO A 50 0.759 -11.063 -6.384 1.00 0.91 H new ATOM 0 HB2 PRO A 50 1.864 -13.588 -6.101 1.00 1.14 H new ATOM 0 HB3 PRO A 50 1.260 -12.680 -4.729 1.00 1.14 H new ATOM 0 HG2 PRO A 50 -0.146 -14.886 -6.302 1.00 1.13 H new ATOM 0 HG3 PRO A 50 -0.116 -14.640 -4.567 1.00 1.13 H new ATOM 0 HD2 PRO A 50 -2.254 -13.805 -6.042 1.00 0.93 H new ATOM 0 HD3 PRO A 50 -1.726 -12.890 -4.644 1.00 0.93 H new ATOM 765 N GLU A 51 0.215 -13.178 -8.807 1.00 1.04 N ATOM 766 CA GLU A 51 0.595 -13.519 -10.168 1.00 1.10 C ATOM 767 C GLU A 51 0.564 -12.293 -11.088 1.00 1.04 C ATOM 768 O GLU A 51 1.448 -12.122 -11.924 1.00 1.46 O ATOM 769 CB GLU A 51 -0.281 -14.673 -10.678 1.00 1.28 C ATOM 770 CG GLU A 51 -1.793 -14.421 -10.592 1.00 2.14 C ATOM 771 CD GLU A 51 -2.551 -15.663 -11.040 1.00 2.43 C ATOM 772 OE1 GLU A 51 -2.549 -16.633 -10.254 1.00 2.51 O ATOM 773 OE2 GLU A 51 -3.087 -15.628 -12.168 1.00 3.33 O ATOM 0 H GLU A 51 -0.592 -13.698 -8.463 1.00 1.04 H new ATOM 0 HA GLU A 51 1.629 -13.863 -10.173 1.00 1.10 H new ATOM 0 HB2 GLU A 51 -0.020 -14.877 -11.716 1.00 1.28 H new ATOM 0 HB3 GLU A 51 -0.044 -15.570 -10.107 1.00 1.28 H new ATOM 0 HG2 GLU A 51 -2.070 -14.164 -9.570 1.00 2.14 H new ATOM 0 HG3 GLU A 51 -2.065 -13.572 -11.219 1.00 2.14 H new ATOM 780 N ILE A 52 -0.451 -11.441 -10.924 1.00 0.84 N ATOM 781 CA ILE A 52 -0.587 -10.209 -11.689 1.00 0.83 C ATOM 782 C ILE A 52 0.282 -9.111 -11.081 1.00 0.81 C ATOM 783 O ILE A 52 1.028 -8.450 -11.801 1.00 1.02 O ATOM 784 CB ILE A 52 -2.068 -9.800 -11.831 1.00 0.88 C ATOM 785 CG1 ILE A 52 -2.267 -8.455 -12.554 1.00 1.82 C ATOM 786 CG2 ILE A 52 -2.861 -9.808 -10.522 1.00 2.12 C ATOM 787 CD1 ILE A 52 -1.723 -8.463 -13.986 1.00 2.90 C ATOM 0 H ILE A 52 -1.203 -11.592 -10.252 1.00 0.84 H new ATOM 0 HA ILE A 52 -0.225 -10.378 -12.703 1.00 0.83 H new ATOM 0 HB ILE A 52 -2.478 -10.592 -12.458 1.00 0.88 H new ATOM 0 HG12 ILE A 52 -3.330 -8.213 -12.576 1.00 1.82 H new ATOM 0 HG13 ILE A 52 -1.772 -7.666 -11.987 1.00 1.82 H new ATOM 0 HG21 ILE A 52 -3.890 -9.508 -10.718 1.00 2.12 H new ATOM 0 HG22 ILE A 52 -2.851 -10.811 -10.096 1.00 2.12 H new ATOM 0 HG23 ILE A 52 -2.408 -9.111 -9.818 1.00 2.12 H new ATOM 0 HD11 ILE A 52 -1.892 -7.489 -14.445 1.00 2.90 H new ATOM 0 HD12 ILE A 52 -0.654 -8.675 -13.968 1.00 2.90 H new ATOM 0 HD13 ILE A 52 -2.236 -9.231 -14.566 1.00 2.90 H new ATOM 799 N ILE A 53 0.165 -8.890 -9.770 1.00 0.75 N ATOM 800 CA ILE A 53 0.819 -7.787 -9.088 1.00 0.79 C ATOM 801 C ILE A 53 1.852 -8.358 -8.114 1.00 0.77 C ATOM 802 O ILE A 53 1.530 -8.792 -7.011 1.00 1.09 O ATOM 803 CB ILE A 53 -0.260 -6.864 -8.473 1.00 0.97 C ATOM 804 CG1 ILE A 53 -0.624 -5.709 -9.423 1.00 1.77 C ATOM 805 CG2 ILE A 53 0.097 -6.269 -7.116 1.00 0.75 C ATOM 806 CD1 ILE A 53 0.418 -4.590 -9.493 1.00 1.20 C ATOM 0 H ILE A 53 -0.392 -9.480 -9.153 1.00 0.75 H new ATOM 0 HA ILE A 53 1.385 -7.145 -9.764 1.00 0.79 H new ATOM 0 HB ILE A 53 -1.110 -7.529 -8.321 1.00 0.97 H new ATOM 0 HG12 ILE A 53 -0.772 -6.113 -10.425 1.00 1.77 H new ATOM 0 HG13 ILE A 53 -1.576 -5.282 -9.107 1.00 1.77 H new ATOM 0 HG21 ILE A 53 -0.721 -5.638 -6.769 1.00 0.75 H new ATOM 0 HG22 ILE A 53 0.265 -7.073 -6.399 1.00 0.75 H new ATOM 0 HG23 ILE A 53 1.003 -5.670 -7.208 1.00 0.75 H new ATOM 0 HD11 ILE A 53 0.079 -3.820 -10.186 1.00 1.20 H new ATOM 0 HD12 ILE A 53 0.551 -4.155 -8.503 1.00 1.20 H new ATOM 0 HD13 ILE A 53 1.367 -4.998 -9.841 1.00 1.20 H new ATOM 818 N GLY A 54 3.125 -8.339 -8.511 1.00 1.13 N ATOM 819 CA GLY A 54 4.203 -8.625 -7.581 1.00 1.23 C ATOM 820 C GLY A 54 4.218 -7.542 -6.495 1.00 1.23 C ATOM 821 O GLY A 54 4.026 -6.367 -6.814 1.00 1.41 O ATOM 0 H GLY A 54 3.427 -8.130 -9.463 1.00 1.13 H new ATOM 0 HA2 GLY A 54 4.063 -9.608 -7.132 1.00 1.23 H new ATOM 0 HA3 GLY A 54 5.158 -8.647 -8.105 1.00 1.23 H new ATOM 825 N PRO A 55 4.466 -7.888 -5.222 1.00 1.15 N ATOM 826 CA PRO A 55 4.415 -6.934 -4.119 1.00 1.22 C ATOM 827 C PRO A 55 5.360 -5.751 -4.340 1.00 1.12 C ATOM 828 O PRO A 55 5.066 -4.627 -3.935 1.00 1.06 O ATOM 829 CB PRO A 55 4.748 -7.738 -2.859 1.00 1.26 C ATOM 830 CG PRO A 55 5.512 -8.953 -3.385 1.00 1.14 C ATOM 831 CD PRO A 55 4.867 -9.201 -4.748 1.00 1.10 C ATOM 0 HA PRO A 55 3.430 -6.475 -4.031 1.00 1.22 H new ATOM 0 HB2 PRO A 55 5.353 -7.157 -2.163 1.00 1.26 H new ATOM 0 HB3 PRO A 55 3.845 -8.035 -2.325 1.00 1.26 H new ATOM 0 HG2 PRO A 55 6.579 -8.751 -3.474 1.00 1.14 H new ATOM 0 HG3 PRO A 55 5.405 -9.814 -2.725 1.00 1.14 H new ATOM 0 HD2 PRO A 55 5.569 -9.671 -5.437 1.00 1.10 H new ATOM 0 HD3 PRO A 55 4.009 -9.868 -4.663 1.00 1.10 H new ATOM 839 N ARG A 56 6.494 -5.988 -5.009 1.00 1.15 N ATOM 840 CA ARG A 56 7.427 -4.924 -5.340 1.00 1.14 C ATOM 841 C ARG A 56 6.785 -3.814 -6.186 1.00 1.11 C ATOM 842 O ARG A 56 7.226 -2.676 -6.071 1.00 1.16 O ATOM 843 CB ARG A 56 8.733 -5.481 -5.940 1.00 1.22 C ATOM 844 CG ARG A 56 9.898 -5.339 -4.940 1.00 1.61 C ATOM 845 CD ARG A 56 10.423 -3.893 -4.900 1.00 2.78 C ATOM 846 NE ARG A 56 10.983 -3.515 -3.591 1.00 3.77 N ATOM 847 CZ ARG A 56 11.186 -2.237 -3.219 1.00 5.06 C ATOM 848 NH1 ARG A 56 11.156 -1.268 -4.133 1.00 5.84 N ATOM 849 NH2 ARG A 56 11.394 -1.929 -1.936 1.00 6.17 N ATOM 0 H ARG A 56 6.781 -6.913 -5.329 1.00 1.15 H new ATOM 0 HA ARG A 56 7.706 -4.437 -4.405 1.00 1.14 H new ATOM 0 HB2 ARG A 56 8.599 -6.530 -6.203 1.00 1.22 H new ATOM 0 HB3 ARG A 56 8.971 -4.949 -6.861 1.00 1.22 H new ATOM 0 HG2 ARG A 56 9.565 -5.636 -3.945 1.00 1.61 H new ATOM 0 HG3 ARG A 56 10.706 -6.015 -5.220 1.00 1.61 H new ATOM 0 HD2 ARG A 56 11.190 -3.770 -5.665 1.00 2.78 H new ATOM 0 HD3 ARG A 56 9.610 -3.211 -5.151 1.00 2.78 H new ATOM 0 HE ARG A 56 11.229 -4.257 -2.935 1.00 3.77 H new ATOM 0 HH11 ARG A 56 10.980 -1.495 -5.112 1.00 5.84 H new ATOM 0 HH12 ARG A 56 11.309 -0.299 -3.854 1.00 5.84 H new ATOM 0 HH21 ARG A 56 11.400 -2.665 -1.229 1.00 6.17 H new ATOM 0 HH22 ARG A 56 11.547 -0.958 -1.663 1.00 6.17 H new ATOM 863 N ASP A 57 5.757 -4.090 -7.001 1.00 1.07 N ATOM 864 CA ASP A 57 5.063 -3.026 -7.729 1.00 1.02 C ATOM 865 C ASP A 57 4.399 -2.070 -6.738 1.00 0.78 C ATOM 866 O ASP A 57 4.671 -0.869 -6.729 1.00 0.64 O ATOM 867 CB ASP A 57 4.019 -3.605 -8.689 1.00 1.14 C ATOM 868 CG ASP A 57 3.263 -2.480 -9.386 1.00 3.40 C ATOM 869 OD1 ASP A 57 3.748 -2.036 -10.445 1.00 4.24 O ATOM 870 OD2 ASP A 57 2.219 -2.063 -8.839 1.00 4.94 O ATOM 0 H ASP A 57 5.394 -5.028 -7.169 1.00 1.07 H new ATOM 0 HA ASP A 57 5.796 -2.479 -8.322 1.00 1.02 H new ATOM 0 HB2 ASP A 57 4.507 -4.238 -9.430 1.00 1.14 H new ATOM 0 HB3 ASP A 57 3.321 -4.237 -8.140 1.00 1.14 H new ATOM 875 N ILE A 58 3.557 -2.621 -5.864 1.00 0.79 N ATOM 876 CA ILE A 58 2.891 -1.871 -4.809 1.00 0.64 C ATOM 877 C ILE A 58 3.935 -1.079 -4.020 1.00 0.56 C ATOM 878 O ILE A 58 3.808 0.133 -3.849 1.00 0.47 O ATOM 879 CB ILE A 58 2.107 -2.837 -3.906 1.00 0.68 C ATOM 880 CG1 ILE A 58 0.933 -3.474 -4.665 1.00 0.68 C ATOM 881 CG2 ILE A 58 1.589 -2.131 -2.642 1.00 0.71 C ATOM 882 CD1 ILE A 58 0.631 -4.851 -4.076 1.00 0.73 C ATOM 0 H ILE A 58 3.318 -3.613 -5.872 1.00 0.79 H new ATOM 0 HA ILE A 58 2.180 -1.164 -5.236 1.00 0.64 H new ATOM 0 HB ILE A 58 2.798 -3.624 -3.603 1.00 0.68 H new ATOM 0 HG12 ILE A 58 0.052 -2.836 -4.595 1.00 0.68 H new ATOM 0 HG13 ILE A 58 1.177 -3.565 -5.723 1.00 0.68 H new ATOM 0 HG21 ILE A 58 1.039 -2.843 -2.027 1.00 0.71 H new ATOM 0 HG22 ILE A 58 2.432 -1.736 -2.075 1.00 0.71 H new ATOM 0 HG23 ILE A 58 0.928 -1.313 -2.927 1.00 0.71 H new ATOM 0 HD11 ILE A 58 -0.202 -5.302 -4.615 1.00 0.73 H new ATOM 0 HD12 ILE A 58 1.511 -5.487 -4.169 1.00 0.73 H new ATOM 0 HD13 ILE A 58 0.368 -4.747 -3.023 1.00 0.73 H new ATOM 894 N ILE A 59 4.985 -1.756 -3.552 1.00 0.66 N ATOM 895 CA ILE A 59 6.020 -1.102 -2.777 1.00 0.65 C ATOM 896 C ILE A 59 6.639 0.052 -3.580 1.00 0.55 C ATOM 897 O ILE A 59 6.698 1.162 -3.065 1.00 0.50 O ATOM 898 CB ILE A 59 7.020 -2.152 -2.279 1.00 0.78 C ATOM 899 CG1 ILE A 59 6.335 -3.096 -1.271 1.00 0.97 C ATOM 900 CG2 ILE A 59 8.205 -1.457 -1.616 1.00 0.77 C ATOM 901 CD1 ILE A 59 7.082 -4.424 -1.128 1.00 1.58 C ATOM 0 H ILE A 59 5.134 -2.754 -3.700 1.00 0.66 H new ATOM 0 HA ILE A 59 5.605 -0.633 -1.885 1.00 0.65 H new ATOM 0 HB ILE A 59 7.375 -2.738 -3.127 1.00 0.78 H new ATOM 0 HG12 ILE A 59 6.276 -2.607 -0.299 1.00 0.97 H new ATOM 0 HG13 ILE A 59 5.312 -3.289 -1.593 1.00 0.97 H new ATOM 0 HG21 ILE A 59 8.915 -2.205 -1.263 1.00 0.77 H new ATOM 0 HG22 ILE A 59 8.695 -0.805 -2.339 1.00 0.77 H new ATOM 0 HG23 ILE A 59 7.853 -0.864 -0.772 1.00 0.77 H new ATOM 0 HD11 ILE A 59 6.564 -5.057 -0.408 1.00 1.58 H new ATOM 0 HD12 ILE A 59 7.118 -4.927 -2.094 1.00 1.58 H new ATOM 0 HD13 ILE A 59 8.097 -4.235 -0.780 1.00 1.58 H new ATOM 913 N HIS A 60 7.038 -0.168 -4.840 1.00 0.62 N ATOM 914 CA HIS A 60 7.529 0.910 -5.698 1.00 0.67 C ATOM 915 C HIS A 60 6.526 2.055 -5.777 1.00 0.60 C ATOM 916 O HIS A 60 6.928 3.217 -5.763 1.00 0.67 O ATOM 917 CB HIS A 60 7.832 0.427 -7.124 1.00 0.94 C ATOM 918 CG HIS A 60 9.065 -0.422 -7.242 1.00 1.09 C ATOM 919 ND1 HIS A 60 9.141 -1.657 -7.840 1.00 2.20 N ATOM 920 CD2 HIS A 60 10.303 -0.119 -6.748 1.00 1.90 C ATOM 921 CE1 HIS A 60 10.393 -2.110 -7.669 1.00 2.93 C ATOM 922 NE2 HIS A 60 11.126 -1.232 -6.962 1.00 2.78 N ATOM 0 H HIS A 60 7.029 -1.086 -5.285 1.00 0.62 H new ATOM 0 HA HIS A 60 8.455 1.259 -5.240 1.00 0.67 H new ATOM 0 HB2 HIS A 60 6.978 -0.141 -7.491 1.00 0.94 H new ATOM 0 HB3 HIS A 60 7.940 1.296 -7.774 1.00 0.94 H new ATOM 0 HD2 HIS A 60 10.594 0.809 -6.278 1.00 1.90 H new ATOM 0 HE1 HIS A 60 10.762 -3.052 -8.048 1.00 2.93 H new ATOM 0 HE2 HIS A 60 12.088 -1.352 -6.645 1.00 2.78 H new ATOM 930 N THR A 61 5.233 1.742 -5.881 1.00 0.56 N ATOM 931 CA THR A 61 4.203 2.763 -5.986 1.00 0.61 C ATOM 932 C THR A 61 4.285 3.661 -4.753 1.00 0.55 C ATOM 933 O THR A 61 4.445 4.877 -4.857 1.00 0.63 O ATOM 934 CB THR A 61 2.824 2.103 -6.140 1.00 0.66 C ATOM 935 OG1 THR A 61 2.862 1.171 -7.196 1.00 0.81 O ATOM 936 CG2 THR A 61 1.731 3.125 -6.450 1.00 0.85 C ATOM 0 H THR A 61 4.879 0.785 -5.894 1.00 0.56 H new ATOM 0 HA THR A 61 4.357 3.381 -6.871 1.00 0.61 H new ATOM 0 HB THR A 61 2.591 1.617 -5.192 1.00 0.66 H new ATOM 0 HG1 THR A 61 3.389 0.391 -6.925 1.00 0.81 H new ATOM 0 HG21 THR A 61 0.773 2.614 -6.551 1.00 0.85 H new ATOM 0 HG22 THR A 61 1.672 3.851 -5.639 1.00 0.85 H new ATOM 0 HG23 THR A 61 1.967 3.639 -7.381 1.00 0.85 H new ATOM 944 N ILE A 62 4.214 3.036 -3.579 1.00 0.48 N ATOM 945 CA ILE A 62 4.296 3.718 -2.299 1.00 0.51 C ATOM 946 C ILE A 62 5.589 4.538 -2.209 1.00 0.57 C ATOM 947 O ILE A 62 5.537 5.745 -1.966 1.00 0.64 O ATOM 948 CB ILE A 62 4.115 2.673 -1.179 1.00 0.53 C ATOM 949 CG1 ILE A 62 2.626 2.532 -0.814 1.00 0.57 C ATOM 950 CG2 ILE A 62 4.872 3.036 0.103 1.00 0.67 C ATOM 951 CD1 ILE A 62 1.720 2.102 -1.967 1.00 1.88 C ATOM 0 H ILE A 62 4.096 2.026 -3.495 1.00 0.48 H new ATOM 0 HA ILE A 62 3.496 4.450 -2.184 1.00 0.51 H new ATOM 0 HB ILE A 62 4.518 1.740 -1.573 1.00 0.53 H new ATOM 0 HG12 ILE A 62 2.532 1.806 -0.007 1.00 0.57 H new ATOM 0 HG13 ILE A 62 2.269 3.487 -0.427 1.00 0.57 H new ATOM 0 HG21 ILE A 62 4.707 2.264 0.854 1.00 0.67 H new ATOM 0 HG22 ILE A 62 5.938 3.110 -0.112 1.00 0.67 H new ATOM 0 HG23 ILE A 62 4.511 3.993 0.480 1.00 0.67 H new ATOM 0 HD11 ILE A 62 0.691 2.030 -1.614 1.00 1.88 H new ATOM 0 HD12 ILE A 62 1.778 2.838 -2.769 1.00 1.88 H new ATOM 0 HD13 ILE A 62 2.044 1.131 -2.342 1.00 1.88 H new ATOM 963 N GLU A 63 6.741 3.890 -2.410 1.00 0.59 N ATOM 964 CA GLU A 63 8.045 4.529 -2.343 1.00 0.73 C ATOM 965 C GLU A 63 8.054 5.779 -3.228 1.00 0.76 C ATOM 966 O GLU A 63 8.253 6.897 -2.751 1.00 0.97 O ATOM 967 CB GLU A 63 9.141 3.529 -2.752 1.00 0.77 C ATOM 968 CG GLU A 63 9.367 2.443 -1.685 1.00 1.03 C ATOM 969 CD GLU A 63 10.301 1.329 -2.151 1.00 1.00 C ATOM 970 OE1 GLU A 63 10.511 1.186 -3.375 1.00 1.72 O ATOM 971 OE2 GLU A 63 10.779 0.562 -1.287 1.00 2.00 O ATOM 0 H GLU A 63 6.787 2.894 -2.626 1.00 0.59 H new ATOM 0 HA GLU A 63 8.251 4.843 -1.320 1.00 0.73 H new ATOM 0 HB2 GLU A 63 8.866 3.057 -3.695 1.00 0.77 H new ATOM 0 HB3 GLU A 63 10.074 4.066 -2.924 1.00 0.77 H new ATOM 0 HG2 GLU A 63 9.781 2.904 -0.788 1.00 1.03 H new ATOM 0 HG3 GLU A 63 8.406 2.010 -1.407 1.00 1.03 H new ATOM 978 N SER A 64 7.796 5.572 -4.520 1.00 0.66 N ATOM 979 CA SER A 64 7.833 6.603 -5.544 1.00 0.79 C ATOM 980 C SER A 64 6.914 7.771 -5.187 1.00 0.87 C ATOM 981 O SER A 64 7.322 8.927 -5.285 1.00 1.33 O ATOM 982 CB SER A 64 7.459 5.983 -6.898 1.00 0.81 C ATOM 983 OG SER A 64 7.588 6.925 -7.946 1.00 1.45 O ATOM 0 H SER A 64 7.549 4.653 -4.888 1.00 0.66 H new ATOM 0 HA SER A 64 8.843 7.008 -5.609 1.00 0.79 H new ATOM 0 HB2 SER A 64 8.100 5.124 -7.097 1.00 0.81 H new ATOM 0 HB3 SER A 64 6.434 5.614 -6.861 1.00 0.81 H new ATOM 0 HG SER A 64 7.345 6.503 -8.797 1.00 1.45 H new ATOM 989 N LEU A 65 5.667 7.486 -4.800 1.00 0.60 N ATOM 990 CA LEU A 65 4.682 8.534 -4.603 1.00 0.70 C ATOM 991 C LEU A 65 5.108 9.558 -3.553 1.00 1.06 C ATOM 992 O LEU A 65 4.922 10.757 -3.781 1.00 1.81 O ATOM 993 CB LEU A 65 3.318 7.931 -4.248 1.00 0.85 C ATOM 994 CG LEU A 65 2.588 7.356 -5.471 1.00 0.92 C ATOM 995 CD1 LEU A 65 1.421 6.504 -4.975 1.00 2.17 C ATOM 996 CD2 LEU A 65 2.032 8.452 -6.390 1.00 1.54 C ATOM 0 H LEU A 65 5.325 6.542 -4.620 1.00 0.60 H new ATOM 0 HA LEU A 65 4.600 9.071 -5.548 1.00 0.70 H new ATOM 0 HB2 LEU A 65 3.455 7.143 -3.508 1.00 0.85 H new ATOM 0 HB3 LEU A 65 2.696 8.697 -3.786 1.00 0.85 H new ATOM 0 HG LEU A 65 3.305 6.771 -6.046 1.00 0.92 H new ATOM 0 HD11 LEU A 65 0.888 6.085 -5.828 1.00 2.17 H new ATOM 0 HD12 LEU A 65 1.801 5.695 -4.351 1.00 2.17 H new ATOM 0 HD13 LEU A 65 0.741 7.124 -4.391 1.00 2.17 H new ATOM 0 HD21 LEU A 65 1.526 7.993 -7.239 1.00 1.54 H new ATOM 0 HD22 LEU A 65 1.324 9.068 -5.835 1.00 1.54 H new ATOM 0 HD23 LEU A 65 2.851 9.075 -6.750 1.00 1.54 H new ATOM 1008 N GLY A 66 5.510 9.134 -2.352 1.00 0.82 N ATOM 1009 CA GLY A 66 6.009 10.098 -1.374 1.00 1.13 C ATOM 1010 C GLY A 66 6.820 9.546 -0.201 1.00 0.70 C ATOM 1011 O GLY A 66 7.109 10.312 0.716 1.00 0.84 O ATOM 0 H GLY A 66 5.501 8.162 -2.042 1.00 0.82 H new ATOM 0 HA2 GLY A 66 6.628 10.824 -1.901 1.00 1.13 H new ATOM 0 HA3 GLY A 66 5.155 10.641 -0.969 1.00 1.13 H new ATOM 1015 N PHE A 67 7.068 8.235 -0.128 1.00 0.51 N ATOM 1016 CA PHE A 67 7.007 7.546 1.161 1.00 0.48 C ATOM 1017 C PHE A 67 8.138 6.534 1.314 1.00 0.66 C ATOM 1018 O PHE A 67 8.919 6.330 0.390 1.00 1.01 O ATOM 1019 CB PHE A 67 5.631 6.874 1.284 1.00 0.60 C ATOM 1020 CG PHE A 67 4.469 7.824 1.053 1.00 0.67 C ATOM 1021 CD1 PHE A 67 4.346 8.958 1.873 1.00 1.78 C ATOM 1022 CD2 PHE A 67 3.676 7.719 -0.106 1.00 1.52 C ATOM 1023 CE1 PHE A 67 3.474 9.998 1.518 1.00 1.80 C ATOM 1024 CE2 PHE A 67 2.822 8.772 -0.476 1.00 1.51 C ATOM 1025 CZ PHE A 67 2.705 9.906 0.347 1.00 0.72 C ATOM 0 H PHE A 67 7.307 7.644 -0.924 1.00 0.51 H new ATOM 0 HA PHE A 67 7.136 8.270 1.966 1.00 0.48 H new ATOM 0 HB2 PHE A 67 5.570 6.056 0.566 1.00 0.60 H new ATOM 0 HB3 PHE A 67 5.538 6.434 2.277 1.00 0.60 H new ATOM 0 HD1 PHE A 67 4.926 9.030 2.781 1.00 1.78 H new ATOM 0 HD2 PHE A 67 3.724 6.827 -0.712 1.00 1.52 H new ATOM 0 HE1 PHE A 67 3.394 10.872 2.147 1.00 1.80 H new ATOM 0 HE2 PHE A 67 2.255 8.710 -1.393 1.00 1.51 H new ATOM 0 HZ PHE A 67 2.027 10.703 0.080 1.00 0.72 H new ATOM 1035 N GLU A 68 8.211 5.891 2.482 1.00 0.59 N ATOM 1036 CA GLU A 68 9.010 4.693 2.689 1.00 0.71 C ATOM 1037 C GLU A 68 8.038 3.554 2.992 1.00 0.73 C ATOM 1038 O GLU A 68 6.969 3.798 3.553 1.00 0.84 O ATOM 1039 CB GLU A 68 9.987 4.849 3.864 1.00 0.93 C ATOM 1040 CG GLU A 68 10.473 6.274 4.163 1.00 1.89 C ATOM 1041 CD GLU A 68 11.183 6.262 5.505 1.00 2.25 C ATOM 1042 OE1 GLU A 68 12.308 5.713 5.573 1.00 3.15 O ATOM 1043 OE2 GLU A 68 10.517 6.592 6.513 1.00 2.55 O ATOM 0 H GLU A 68 7.709 6.195 3.316 1.00 0.59 H new ATOM 0 HA GLU A 68 9.606 4.498 1.798 1.00 0.71 H new ATOM 0 HB2 GLU A 68 9.508 4.456 4.761 1.00 0.93 H new ATOM 0 HB3 GLU A 68 10.859 4.225 3.669 1.00 0.93 H new ATOM 0 HG2 GLU A 68 11.148 6.618 3.379 1.00 1.89 H new ATOM 0 HG3 GLU A 68 9.631 6.966 4.185 1.00 1.89 H new ATOM 1050 N ALA A 69 8.418 2.318 2.670 1.00 0.81 N ATOM 1051 CA ALA A 69 7.644 1.126 2.979 1.00 0.89 C ATOM 1052 C ALA A 69 8.388 0.300 4.024 1.00 0.77 C ATOM 1053 O ALA A 69 9.619 0.289 4.051 1.00 0.97 O ATOM 1054 CB ALA A 69 7.457 0.317 1.694 1.00 1.45 C ATOM 0 H ALA A 69 9.289 2.118 2.178 1.00 0.81 H new ATOM 0 HA ALA A 69 6.667 1.399 3.379 1.00 0.89 H new ATOM 0 HB1 ALA A 69 6.878 -0.581 1.910 1.00 1.45 H new ATOM 0 HB2 ALA A 69 6.928 0.921 0.957 1.00 1.45 H new ATOM 0 HB3 ALA A 69 8.432 0.033 1.298 1.00 1.45 H new ATOM 1060 N SER A 70 7.666 -0.388 4.913 1.00 0.72 N ATOM 1061 CA SER A 70 8.239 -1.327 5.869 1.00 0.91 C ATOM 1062 C SER A 70 7.227 -2.449 6.128 1.00 0.86 C ATOM 1063 O SER A 70 6.196 -2.227 6.764 1.00 0.86 O ATOM 1064 CB SER A 70 8.643 -0.580 7.148 1.00 1.12 C ATOM 1065 OG SER A 70 9.572 0.451 6.830 1.00 2.14 O ATOM 0 H SER A 70 6.652 -0.304 4.986 1.00 0.72 H new ATOM 0 HA SER A 70 9.145 -1.785 5.472 1.00 0.91 H new ATOM 0 HB2 SER A 70 7.761 -0.153 7.625 1.00 1.12 H new ATOM 0 HB3 SER A 70 9.086 -1.275 7.861 1.00 1.12 H new ATOM 0 HG SER A 70 9.794 0.408 5.877 1.00 2.14 H new ATOM 1071 N LEU A 71 7.502 -3.652 5.611 1.00 0.99 N ATOM 1072 CA LEU A 71 6.619 -4.814 5.689 1.00 1.04 C ATOM 1073 C LEU A 71 6.560 -5.394 7.106 1.00 1.03 C ATOM 1074 O LEU A 71 7.048 -6.488 7.362 1.00 1.80 O ATOM 1075 CB LEU A 71 6.999 -5.858 4.625 1.00 1.39 C ATOM 1076 CG LEU A 71 8.474 -6.304 4.663 1.00 2.01 C ATOM 1077 CD1 LEU A 71 8.567 -7.831 4.570 1.00 2.26 C ATOM 1078 CD2 LEU A 71 9.267 -5.689 3.501 1.00 3.11 C ATOM 0 H LEU A 71 8.371 -3.846 5.113 1.00 0.99 H new ATOM 0 HA LEU A 71 5.604 -4.487 5.464 1.00 1.04 H new ATOM 0 HB2 LEU A 71 6.364 -6.735 4.752 1.00 1.39 H new ATOM 0 HB3 LEU A 71 6.782 -5.448 3.639 1.00 1.39 H new ATOM 0 HG LEU A 71 8.899 -5.961 5.606 1.00 2.01 H new ATOM 0 HD11 LEU A 71 9.614 -8.134 4.598 1.00 2.26 H new ATOM 0 HD12 LEU A 71 8.037 -8.280 5.410 1.00 2.26 H new ATOM 0 HD13 LEU A 71 8.117 -8.167 3.636 1.00 2.26 H new ATOM 0 HD21 LEU A 71 10.304 -6.021 3.553 1.00 3.11 H new ATOM 0 HD22 LEU A 71 8.831 -6.007 2.554 1.00 3.11 H new ATOM 0 HD23 LEU A 71 9.230 -4.602 3.570 1.00 3.11 H new