USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 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 41 THR OG1 : rot -110:sc= 1.03 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -167:sc= 1.28 (180deg=0) USER MOD Set 2.1: A 15 CYS SG : rot 180:sc=-0.00384 USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0.0353 USER MOD Set 2.3: A 18 CYS SG : rot -93:sc= -0.591 USER MOD Single : A 13 MET CE :methyl -167:sc= -1.12 (180deg=-2.13) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-1.9!) USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= 1.25 (180deg=0.0772) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 34 TYR OH : rot -54:sc= 1.25 USER MOD Single : A 35 CYS SG : rot 150:sc= -1.81 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.325 K(o=0.33,f=-0.18) USER MOD Single : A 45 HIS : no HE2:sc= -0.112 K(o=-0.11,f=-6!) 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= -0.739 K(o=-0.74,f=-5.8!) USER MOD Single : A 61 THR OG1 : rot 71:sc= 1.07 USER MOD Single : A 64 SER OG : rot 92:sc= 1.25 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0201 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -4.292 -12.414 -1.101 1.00 1.01 N ATOM 40 CA GLY A 4 -3.008 -11.818 -0.803 1.00 1.14 C ATOM 41 C GLY A 4 -3.284 -10.650 0.132 1.00 1.03 C ATOM 42 O GLY A 4 -3.870 -9.655 -0.286 1.00 1.30 O ATOM 0 HA2 GLY A 4 -2.343 -12.543 -0.333 1.00 1.14 H new ATOM 0 HA3 GLY A 4 -2.516 -11.478 -1.715 1.00 1.14 H new ATOM 46 N VAL A 5 -2.901 -10.798 1.403 1.00 0.98 N ATOM 47 CA VAL A 5 -3.122 -9.830 2.468 1.00 0.97 C ATOM 48 C VAL A 5 -1.765 -9.265 2.896 1.00 1.02 C ATOM 49 O VAL A 5 -1.049 -9.876 3.691 1.00 1.45 O ATOM 50 CB VAL A 5 -3.931 -10.482 3.612 1.00 1.11 C ATOM 51 CG1 VAL A 5 -3.479 -11.901 3.994 1.00 2.21 C ATOM 52 CG2 VAL A 5 -3.943 -9.593 4.860 1.00 2.11 C ATOM 0 H VAL A 5 -2.409 -11.631 1.726 1.00 0.98 H new ATOM 0 HA VAL A 5 -3.726 -8.988 2.130 1.00 0.97 H new ATOM 0 HB VAL A 5 -4.939 -10.581 3.210 1.00 1.11 H new ATOM 0 HG11 VAL A 5 -4.104 -12.276 4.804 1.00 2.21 H new ATOM 0 HG12 VAL A 5 -3.573 -12.558 3.129 1.00 2.21 H new ATOM 0 HG13 VAL A 5 -2.439 -11.876 4.320 1.00 2.21 H new ATOM 0 HG21 VAL A 5 -4.520 -10.079 5.647 1.00 2.11 H new ATOM 0 HG22 VAL A 5 -2.921 -9.435 5.204 1.00 2.11 H new ATOM 0 HG23 VAL A 5 -4.397 -8.632 4.618 1.00 2.11 H new ATOM 62 N LEU A 6 -1.395 -8.107 2.346 1.00 0.84 N ATOM 63 CA LEU A 6 -0.113 -7.460 2.576 1.00 0.90 C ATOM 64 C LEU A 6 -0.356 -6.200 3.408 1.00 0.81 C ATOM 65 O LEU A 6 -0.807 -5.184 2.884 1.00 0.95 O ATOM 66 CB LEU A 6 0.532 -7.163 1.217 1.00 0.99 C ATOM 67 CG LEU A 6 1.975 -6.647 1.288 1.00 1.22 C ATOM 68 CD1 LEU A 6 2.953 -7.732 1.757 1.00 1.91 C ATOM 69 CD2 LEU A 6 2.384 -6.177 -0.111 1.00 2.33 C ATOM 0 H LEU A 6 -1.999 -7.584 1.712 1.00 0.84 H new ATOM 0 HA LEU A 6 0.576 -8.096 3.132 1.00 0.90 H new ATOM 0 HB2 LEU A 6 0.516 -8.072 0.616 1.00 0.99 H new ATOM 0 HB3 LEU A 6 -0.077 -6.425 0.695 1.00 0.99 H new ATOM 0 HG LEU A 6 2.015 -5.832 2.011 1.00 1.22 H new ATOM 0 HD11 LEU A 6 3.962 -7.322 1.792 1.00 1.91 H new ATOM 0 HD12 LEU A 6 2.666 -8.075 2.751 1.00 1.91 H new ATOM 0 HD13 LEU A 6 2.926 -8.571 1.062 1.00 1.91 H new ATOM 0 HD21 LEU A 6 3.408 -5.805 -0.085 1.00 2.33 H new ATOM 0 HD22 LEU A 6 2.319 -7.012 -0.809 1.00 2.33 H new ATOM 0 HD23 LEU A 6 1.717 -5.379 -0.436 1.00 2.33 H new ATOM 81 N GLU A 7 -0.080 -6.284 4.712 1.00 0.82 N ATOM 82 CA GLU A 7 -0.249 -5.186 5.650 1.00 0.74 C ATOM 83 C GLU A 7 1.113 -4.526 5.877 1.00 0.72 C ATOM 84 O GLU A 7 1.913 -5.001 6.683 1.00 1.16 O ATOM 85 CB GLU A 7 -0.934 -5.708 6.922 1.00 0.96 C ATOM 86 CG GLU A 7 -1.771 -4.619 7.606 1.00 1.39 C ATOM 87 CD GLU A 7 -2.625 -5.204 8.722 1.00 2.02 C ATOM 88 OE1 GLU A 7 -2.048 -5.915 9.569 1.00 3.06 O ATOM 89 OE2 GLU A 7 -3.853 -4.961 8.676 1.00 2.92 O ATOM 0 H GLU A 7 0.274 -7.136 5.147 1.00 0.82 H new ATOM 0 HA GLU A 7 -0.906 -4.408 5.262 1.00 0.74 H new ATOM 0 HB2 GLU A 7 -1.574 -6.553 6.669 1.00 0.96 H new ATOM 0 HB3 GLU A 7 -0.179 -6.076 7.617 1.00 0.96 H new ATOM 0 HG2 GLU A 7 -1.112 -3.851 8.012 1.00 1.39 H new ATOM 0 HG3 GLU A 7 -2.412 -4.133 6.870 1.00 1.39 H new ATOM 96 N LEU A 8 1.396 -3.460 5.123 1.00 0.59 N ATOM 97 CA LEU A 8 2.634 -2.705 5.269 1.00 0.68 C ATOM 98 C LEU A 8 2.454 -1.666 6.371 1.00 0.56 C ATOM 99 O LEU A 8 1.334 -1.213 6.617 1.00 0.77 O ATOM 100 CB LEU A 8 3.020 -1.969 3.974 1.00 1.18 C ATOM 101 CG LEU A 8 3.270 -2.810 2.712 1.00 0.92 C ATOM 102 CD1 LEU A 8 4.027 -4.109 3.011 1.00 3.01 C ATOM 103 CD2 LEU A 8 1.975 -3.056 1.935 1.00 2.36 C ATOM 0 H LEU A 8 0.774 -3.101 4.399 1.00 0.59 H new ATOM 0 HA LEU A 8 3.426 -3.414 5.511 1.00 0.68 H new ATOM 0 HB2 LEU A 8 2.228 -1.255 3.748 1.00 1.18 H new ATOM 0 HB3 LEU A 8 3.923 -1.392 4.175 1.00 1.18 H new ATOM 0 HG LEU A 8 3.924 -2.224 2.066 1.00 0.92 H new ATOM 0 HD11 LEU A 8 4.177 -4.664 2.085 1.00 3.01 H new ATOM 0 HD12 LEU A 8 4.995 -3.873 3.453 1.00 3.01 H new ATOM 0 HD13 LEU A 8 3.448 -4.715 3.708 1.00 3.01 H new ATOM 0 HD21 LEU A 8 2.190 -3.654 1.049 1.00 2.36 H new ATOM 0 HD22 LEU A 8 1.266 -3.589 2.569 1.00 2.36 H new ATOM 0 HD23 LEU A 8 1.545 -2.101 1.633 1.00 2.36 H new ATOM 115 N VAL A 9 3.569 -1.230 6.964 1.00 0.54 N ATOM 116 CA VAL A 9 3.682 0.109 7.512 1.00 0.54 C ATOM 117 C VAL A 9 4.056 1.039 6.355 1.00 0.51 C ATOM 118 O VAL A 9 4.812 0.639 5.471 1.00 0.70 O ATOM 119 CB VAL A 9 4.698 0.151 8.675 1.00 0.61 C ATOM 120 CG1 VAL A 9 5.615 1.383 8.666 1.00 0.70 C ATOM 121 CG2 VAL A 9 3.949 0.161 10.011 1.00 0.69 C ATOM 0 H VAL A 9 4.410 -1.797 7.073 1.00 0.54 H new ATOM 0 HA VAL A 9 2.739 0.439 7.948 1.00 0.54 H new ATOM 0 HB VAL A 9 5.321 -0.734 8.546 1.00 0.61 H new ATOM 0 HG11 VAL A 9 6.297 1.335 9.515 1.00 0.70 H new ATOM 0 HG12 VAL A 9 6.189 1.403 7.740 1.00 0.70 H new ATOM 0 HG13 VAL A 9 5.010 2.287 8.737 1.00 0.70 H new ATOM 0 HG21 VAL A 9 4.667 0.191 10.830 1.00 0.69 H new ATOM 0 HG22 VAL A 9 3.305 1.039 10.061 1.00 0.69 H new ATOM 0 HG23 VAL A 9 3.341 -0.740 10.094 1.00 0.69 H new ATOM 131 N VAL A 10 3.542 2.270 6.368 1.00 0.55 N ATOM 132 CA VAL A 10 3.824 3.306 5.383 1.00 0.54 C ATOM 133 C VAL A 10 4.002 4.644 6.097 1.00 0.57 C ATOM 134 O VAL A 10 3.207 4.991 6.974 1.00 0.81 O ATOM 135 CB VAL A 10 2.723 3.373 4.314 1.00 0.55 C ATOM 136 CG1 VAL A 10 2.888 2.249 3.288 1.00 2.31 C ATOM 137 CG2 VAL A 10 1.329 3.251 4.929 1.00 2.25 C ATOM 0 H VAL A 10 2.895 2.580 7.093 1.00 0.55 H new ATOM 0 HA VAL A 10 4.749 3.063 4.861 1.00 0.54 H new ATOM 0 HB VAL A 10 2.822 4.344 3.829 1.00 0.55 H new ATOM 0 HG11 VAL A 10 2.096 2.318 2.542 1.00 2.31 H new ATOM 0 HG12 VAL A 10 3.857 2.343 2.798 1.00 2.31 H new ATOM 0 HG13 VAL A 10 2.828 1.284 3.792 1.00 2.31 H new ATOM 0 HG21 VAL A 10 0.578 3.303 4.141 1.00 2.25 H new ATOM 0 HG22 VAL A 10 1.243 2.297 5.450 1.00 2.25 H new ATOM 0 HG23 VAL A 10 1.170 4.066 5.636 1.00 2.25 H new ATOM 147 N ARG A 11 5.056 5.387 5.738 1.00 0.77 N ATOM 148 CA ARG A 11 5.387 6.653 6.373 1.00 0.94 C ATOM 149 C ARG A 11 5.794 7.697 5.333 1.00 0.85 C ATOM 150 O ARG A 11 6.008 7.369 4.165 1.00 1.09 O ATOM 151 CB ARG A 11 6.431 6.449 7.484 1.00 1.16 C ATOM 152 CG ARG A 11 7.850 6.151 6.983 1.00 2.24 C ATOM 153 CD ARG A 11 8.856 6.196 8.143 1.00 2.48 C ATOM 154 NE ARG A 11 10.235 6.302 7.635 1.00 4.00 N ATOM 155 CZ ARG A 11 11.251 6.959 8.212 1.00 4.96 C ATOM 156 NH1 ARG A 11 11.179 7.291 9.505 1.00 4.78 N ATOM 157 NH2 ARG A 11 12.328 7.293 7.496 1.00 6.72 N ATOM 0 H ARG A 11 5.701 5.119 4.995 1.00 0.77 H new ATOM 0 HA ARG A 11 4.498 7.050 6.862 1.00 0.94 H new ATOM 0 HB2 ARG A 11 6.460 7.344 8.105 1.00 1.16 H new ATOM 0 HB3 ARG A 11 6.106 5.628 8.123 1.00 1.16 H new ATOM 0 HG2 ARG A 11 7.876 5.169 6.511 1.00 2.24 H new ATOM 0 HG3 ARG A 11 8.132 6.878 6.222 1.00 2.24 H new ATOM 0 HD2 ARG A 11 8.635 7.046 8.789 1.00 2.48 H new ATOM 0 HD3 ARG A 11 8.756 5.298 8.752 1.00 2.48 H new ATOM 0 HE ARG A 11 10.437 5.827 6.755 1.00 4.00 H new ATOM 0 HH11 ARG A 11 10.353 7.044 10.050 1.00 4.78 H new ATOM 0 HH12 ARG A 11 11.950 7.791 9.947 1.00 4.78 H new ATOM 0 HH21 ARG A 11 12.379 7.048 6.507 1.00 6.72 H new ATOM 0 HH22 ARG A 11 13.099 7.793 7.938 1.00 6.72 H new ATOM 171 N GLY A 12 5.839 8.963 5.766 1.00 0.93 N ATOM 172 CA GLY A 12 5.907 10.129 4.895 1.00 0.97 C ATOM 173 C GLY A 12 4.506 10.692 4.632 1.00 0.94 C ATOM 174 O GLY A 12 4.364 11.794 4.106 1.00 1.33 O ATOM 0 H GLY A 12 5.829 9.204 6.757 1.00 0.93 H new ATOM 0 HA2 GLY A 12 6.532 10.895 5.353 1.00 0.97 H new ATOM 0 HA3 GLY A 12 6.378 9.856 3.951 1.00 0.97 H new ATOM 178 N MET A 13 3.461 9.943 5.007 1.00 0.89 N ATOM 179 CA MET A 13 2.072 10.304 4.788 1.00 0.89 C ATOM 180 C MET A 13 1.651 11.401 5.767 1.00 0.84 C ATOM 181 O MET A 13 0.951 11.150 6.746 1.00 1.13 O ATOM 182 CB MET A 13 1.197 9.056 4.912 1.00 1.15 C ATOM 183 CG MET A 13 1.657 7.966 3.939 1.00 1.16 C ATOM 184 SD MET A 13 0.449 6.659 3.663 1.00 1.71 S ATOM 185 CE MET A 13 -0.030 6.294 5.358 1.00 1.27 C ATOM 0 H MET A 13 3.571 9.048 5.483 1.00 0.89 H new ATOM 0 HA MET A 13 1.946 10.705 3.782 1.00 0.89 H new ATOM 0 HB2 MET A 13 1.239 8.678 5.934 1.00 1.15 H new ATOM 0 HB3 MET A 13 0.158 9.314 4.710 1.00 1.15 H new ATOM 0 HG2 MET A 13 1.899 8.428 2.982 1.00 1.16 H new ATOM 0 HG3 MET A 13 2.576 7.520 4.319 1.00 1.16 H new ATOM 0 HE1 MET A 13 -0.592 5.361 5.384 1.00 1.27 H new ATOM 0 HE2 MET A 13 0.863 6.197 5.976 1.00 1.27 H new ATOM 0 HE3 MET A 13 -0.651 7.103 5.743 1.00 1.27 H new ATOM 195 N THR A 14 2.136 12.612 5.512 1.00 0.80 N ATOM 196 CA THR A 14 2.034 13.745 6.415 1.00 0.93 C ATOM 197 C THR A 14 0.580 14.139 6.724 1.00 0.83 C ATOM 198 O THR A 14 0.286 14.521 7.857 1.00 1.00 O ATOM 199 CB THR A 14 2.899 14.894 5.867 1.00 1.13 C ATOM 200 OG1 THR A 14 2.956 15.965 6.784 1.00 1.73 O ATOM 201 CG2 THR A 14 2.428 15.412 4.505 1.00 1.39 C ATOM 0 H THR A 14 2.625 12.835 4.645 1.00 0.80 H new ATOM 0 HA THR A 14 2.428 13.465 7.392 1.00 0.93 H new ATOM 0 HB THR A 14 3.895 14.473 5.727 1.00 1.13 H new ATOM 0 HG1 THR A 14 3.512 16.682 6.415 1.00 1.73 H new ATOM 0 HG21 THR A 14 3.081 16.221 4.177 1.00 1.39 H new ATOM 0 HG22 THR A 14 2.460 14.602 3.777 1.00 1.39 H new ATOM 0 HG23 THR A 14 1.407 15.783 4.590 1.00 1.39 H new ATOM 209 N CYS A 15 -0.333 14.054 5.748 1.00 0.74 N ATOM 210 CA CYS A 15 -1.702 14.535 5.897 1.00 0.68 C ATOM 211 C CYS A 15 -2.677 13.639 5.135 1.00 0.59 C ATOM 212 O CYS A 15 -2.264 12.820 4.315 1.00 0.58 O ATOM 213 CB CYS A 15 -1.775 15.987 5.408 1.00 0.70 C ATOM 214 SG CYS A 15 -1.376 16.219 3.656 1.00 0.68 S ATOM 0 H CYS A 15 -0.137 13.648 4.833 1.00 0.74 H new ATOM 0 HA CYS A 15 -1.991 14.500 6.948 1.00 0.68 H new ATOM 0 HB2 CYS A 15 -2.780 16.367 5.591 1.00 0.70 H new ATOM 0 HB3 CYS A 15 -1.092 16.592 6.005 1.00 0.70 H new ATOM 0 HG CYS A 15 -1.471 17.479 3.352 1.00 0.68 H new ATOM 219 N ALA A 16 -3.977 13.818 5.408 1.00 0.62 N ATOM 220 CA ALA A 16 -5.076 13.059 4.816 1.00 0.76 C ATOM 221 C ALA A 16 -4.858 12.806 3.328 1.00 0.83 C ATOM 222 O ALA A 16 -5.017 11.681 2.856 1.00 1.07 O ATOM 223 CB ALA A 16 -6.393 13.815 5.011 1.00 0.79 C ATOM 0 H ALA A 16 -4.299 14.522 6.072 1.00 0.62 H new ATOM 0 HA ALA A 16 -5.116 12.094 5.321 1.00 0.76 H new ATOM 0 HB1 ALA A 16 -7.209 13.244 4.568 1.00 0.79 H new ATOM 0 HB2 ALA A 16 -6.581 13.949 6.076 1.00 0.79 H new ATOM 0 HB3 ALA A 16 -6.328 14.790 4.528 1.00 0.79 H new ATOM 229 N SER A 17 -4.490 13.863 2.599 1.00 0.77 N ATOM 230 CA SER A 17 -4.242 13.828 1.173 1.00 0.99 C ATOM 231 C SER A 17 -3.424 12.606 0.754 1.00 1.14 C ATOM 232 O SER A 17 -3.740 11.964 -0.248 1.00 1.57 O ATOM 233 CB SER A 17 -3.571 15.137 0.762 1.00 1.02 C ATOM 234 OG SER A 17 -4.340 16.212 1.272 1.00 1.64 O ATOM 0 H SER A 17 -4.355 14.789 3.005 1.00 0.77 H new ATOM 0 HA SER A 17 -5.193 13.731 0.650 1.00 0.99 H new ATOM 0 HB2 SER A 17 -2.554 15.180 1.151 1.00 1.02 H new ATOM 0 HB3 SER A 17 -3.500 15.203 -0.324 1.00 1.02 H new ATOM 0 HG SER A 17 -3.923 17.062 1.019 1.00 1.64 H new ATOM 240 N CYS A 18 -2.391 12.272 1.532 1.00 0.88 N ATOM 241 CA CYS A 18 -1.498 11.167 1.242 1.00 0.76 C ATOM 242 C CYS A 18 -2.244 9.839 1.079 1.00 0.72 C ATOM 243 O CYS A 18 -1.869 9.025 0.236 1.00 0.73 O ATOM 244 CB CYS A 18 -0.433 11.102 2.335 1.00 0.83 C ATOM 245 SG CYS A 18 0.582 12.608 2.413 1.00 0.94 S ATOM 0 H CYS A 18 -2.156 12.772 2.389 1.00 0.88 H new ATOM 0 HA CYS A 18 -1.016 11.342 0.280 1.00 0.76 H new ATOM 0 HB2 CYS A 18 -0.916 10.944 3.299 1.00 0.83 H new ATOM 0 HB3 CYS A 18 0.213 10.242 2.157 1.00 0.83 H new ATOM 0 HG CYS A 18 1.645 12.454 1.680 1.00 0.94 H new ATOM 250 N VAL A 19 -3.308 9.622 1.858 1.00 0.95 N ATOM 251 CA VAL A 19 -4.056 8.373 1.833 1.00 1.03 C ATOM 252 C VAL A 19 -4.532 8.080 0.408 1.00 0.98 C ATOM 253 O VAL A 19 -4.179 7.059 -0.186 1.00 0.93 O ATOM 254 CB VAL A 19 -5.220 8.433 2.841 1.00 1.38 C ATOM 255 CG1 VAL A 19 -6.083 7.167 2.777 1.00 1.57 C ATOM 256 CG2 VAL A 19 -4.686 8.598 4.271 1.00 1.49 C ATOM 0 H VAL A 19 -3.670 10.308 2.520 1.00 0.95 H new ATOM 0 HA VAL A 19 -3.410 7.549 2.136 1.00 1.03 H new ATOM 0 HB VAL A 19 -5.834 9.293 2.573 1.00 1.38 H new ATOM 0 HG11 VAL A 19 -6.894 7.243 3.501 1.00 1.57 H new ATOM 0 HG12 VAL A 19 -6.499 7.061 1.775 1.00 1.57 H new ATOM 0 HG13 VAL A 19 -5.470 6.296 3.009 1.00 1.57 H new ATOM 0 HG21 VAL A 19 -5.522 8.638 4.969 1.00 1.49 H new ATOM 0 HG22 VAL A 19 -4.046 7.752 4.520 1.00 1.49 H new ATOM 0 HG23 VAL A 19 -4.110 9.521 4.340 1.00 1.49 H new ATOM 266 N HIS A 20 -5.337 8.990 -0.143 1.00 1.08 N ATOM 267 CA HIS A 20 -5.828 8.858 -1.504 1.00 1.21 C ATOM 268 C HIS A 20 -4.716 9.089 -2.525 1.00 1.00 C ATOM 269 O HIS A 20 -4.752 8.464 -3.582 1.00 1.33 O ATOM 270 CB HIS A 20 -7.099 9.675 -1.760 1.00 1.46 C ATOM 271 CG HIS A 20 -6.966 11.172 -1.688 1.00 0.84 C ATOM 272 ND1 HIS A 20 -7.266 12.057 -2.701 1.00 1.11 N ATOM 273 CD2 HIS A 20 -6.823 11.900 -0.540 1.00 1.31 C ATOM 274 CE1 HIS A 20 -7.283 13.290 -2.166 1.00 0.74 C ATOM 275 NE2 HIS A 20 -7.028 13.244 -0.853 1.00 1.57 N ATOM 0 H HIS A 20 -5.661 9.828 0.340 1.00 1.08 H new ATOM 0 HA HIS A 20 -6.144 7.824 -1.639 1.00 1.21 H new ATOM 0 HB2 HIS A 20 -7.478 9.414 -2.748 1.00 1.46 H new ATOM 0 HB3 HIS A 20 -7.854 9.365 -1.037 1.00 1.46 H new ATOM 0 HD1 HIS A 20 -7.443 11.820 -3.677 1.00 1.11 H new ATOM 0 HD2 HIS A 20 -6.592 11.504 0.438 1.00 1.31 H new ATOM 0 HE1 HIS A 20 -7.476 14.196 -2.721 1.00 0.74 H new ATOM 283 N LYS A 21 -3.716 9.933 -2.223 1.00 0.66 N ATOM 284 CA LYS A 21 -2.529 10.062 -3.064 1.00 0.85 C ATOM 285 C LYS A 21 -1.974 8.670 -3.382 1.00 0.87 C ATOM 286 O LYS A 21 -1.667 8.381 -4.538 1.00 1.31 O ATOM 287 CB LYS A 21 -1.455 10.939 -2.394 1.00 0.96 C ATOM 288 CG LYS A 21 -0.467 11.545 -3.401 1.00 1.18 C ATOM 289 CD LYS A 21 0.807 12.024 -2.682 1.00 1.80 C ATOM 290 CE LYS A 21 1.741 12.809 -3.620 1.00 2.14 C ATOM 291 NZ LYS A 21 3.080 13.049 -3.033 1.00 3.49 N ATOM 0 H LYS A 21 -3.712 10.535 -1.399 1.00 0.66 H new ATOM 0 HA LYS A 21 -2.814 10.556 -3.993 1.00 0.85 H new ATOM 0 HB2 LYS A 21 -1.942 11.743 -1.841 1.00 0.96 H new ATOM 0 HB3 LYS A 21 -0.905 10.340 -1.668 1.00 0.96 H new ATOM 0 HG2 LYS A 21 -0.208 10.804 -4.157 1.00 1.18 H new ATOM 0 HG3 LYS A 21 -0.935 12.381 -3.921 1.00 1.18 H new ATOM 0 HD2 LYS A 21 0.530 12.654 -1.836 1.00 1.80 H new ATOM 0 HD3 LYS A 21 1.340 11.163 -2.278 1.00 1.80 H new ATOM 0 HE2 LYS A 21 1.853 12.260 -4.555 1.00 2.14 H new ATOM 0 HE3 LYS A 21 1.281 13.766 -3.865 1.00 2.14 H new ATOM 0 HZ1 LYS A 21 3.447 13.963 -3.367 1.00 3.49 H new ATOM 0 HZ2 LYS A 21 3.007 13.064 -1.996 1.00 3.49 H new ATOM 0 HZ3 LYS A 21 3.728 12.289 -3.324 1.00 3.49 H new ATOM 305 N ILE A 22 -1.875 7.800 -2.368 1.00 0.54 N ATOM 306 CA ILE A 22 -1.589 6.393 -2.609 1.00 0.62 C ATOM 307 C ILE A 22 -2.791 5.732 -3.275 1.00 0.77 C ATOM 308 O ILE A 22 -2.714 5.405 -4.457 1.00 1.01 O ATOM 309 CB ILE A 22 -1.157 5.647 -1.335 1.00 0.80 C ATOM 310 CG1 ILE A 22 0.092 6.328 -0.772 1.00 0.76 C ATOM 311 CG2 ILE A 22 -0.858 4.176 -1.664 1.00 1.09 C ATOM 312 CD1 ILE A 22 0.694 5.635 0.450 1.00 1.33 C ATOM 0 H ILE A 22 -1.989 8.049 -1.385 1.00 0.54 H new ATOM 0 HA ILE A 22 -0.735 6.335 -3.284 1.00 0.62 H new ATOM 0 HB ILE A 22 -1.957 5.677 -0.596 1.00 0.80 H new ATOM 0 HG12 ILE A 22 0.848 6.377 -1.555 1.00 0.76 H new ATOM 0 HG13 ILE A 22 -0.158 7.355 -0.505 1.00 0.76 H new ATOM 0 HG21 ILE A 22 -0.553 3.655 -0.757 1.00 1.09 H new ATOM 0 HG22 ILE A 22 -1.753 3.705 -2.069 1.00 1.09 H new ATOM 0 HG23 ILE A 22 -0.055 4.124 -2.400 1.00 1.09 H new ATOM 0 HD11 ILE A 22 1.575 6.184 0.783 1.00 1.33 H new ATOM 0 HD12 ILE A 22 -0.042 5.609 1.253 1.00 1.33 H new ATOM 0 HD13 ILE A 22 0.980 4.617 0.187 1.00 1.33 H new ATOM 324 N GLU A 23 -3.871 5.473 -2.528 1.00 0.76 N ATOM 325 CA GLU A 23 -4.870 4.507 -2.967 1.00 0.95 C ATOM 326 C GLU A 23 -5.448 4.871 -4.337 1.00 0.79 C ATOM 327 O GLU A 23 -5.503 4.022 -5.229 1.00 0.95 O ATOM 328 CB GLU A 23 -5.963 4.279 -1.908 1.00 1.18 C ATOM 329 CG GLU A 23 -7.004 3.313 -2.494 1.00 2.41 C ATOM 330 CD GLU A 23 -7.877 2.603 -1.466 1.00 2.77 C ATOM 331 OE1 GLU A 23 -8.581 3.312 -0.713 1.00 3.00 O ATOM 332 OE2 GLU A 23 -7.865 1.352 -1.476 1.00 3.85 O ATOM 0 H GLU A 23 -4.069 5.915 -1.630 1.00 0.76 H new ATOM 0 HA GLU A 23 -4.359 3.552 -3.087 1.00 0.95 H new ATOM 0 HB2 GLU A 23 -5.530 3.865 -0.998 1.00 1.18 H new ATOM 0 HB3 GLU A 23 -6.432 5.225 -1.636 1.00 1.18 H new ATOM 0 HG2 GLU A 23 -7.649 3.868 -3.175 1.00 2.41 H new ATOM 0 HG3 GLU A 23 -6.485 2.561 -3.089 1.00 2.41 H new ATOM 339 N SER A 24 -5.854 6.127 -4.526 1.00 0.58 N ATOM 340 CA SER A 24 -6.453 6.559 -5.778 1.00 0.59 C ATOM 341 C SER A 24 -5.457 6.437 -6.933 1.00 0.85 C ATOM 342 O SER A 24 -5.882 6.272 -8.073 1.00 1.25 O ATOM 343 CB SER A 24 -7.006 7.984 -5.656 1.00 0.68 C ATOM 344 OG SER A 24 -7.783 8.308 -6.794 1.00 1.02 O ATOM 0 H SER A 24 -5.776 6.861 -3.822 1.00 0.58 H new ATOM 0 HA SER A 24 -7.292 5.899 -6.000 1.00 0.59 H new ATOM 0 HB2 SER A 24 -7.614 8.070 -4.755 1.00 0.68 H new ATOM 0 HB3 SER A 24 -6.184 8.693 -5.554 1.00 0.68 H new ATOM 0 HG SER A 24 -8.132 9.219 -6.703 1.00 1.02 H new ATOM 350 N SER A 25 -4.150 6.542 -6.663 1.00 0.76 N ATOM 351 CA SER A 25 -3.142 6.203 -7.652 1.00 0.85 C ATOM 352 C SER A 25 -3.107 4.682 -7.829 1.00 0.93 C ATOM 353 O SER A 25 -3.509 4.167 -8.868 1.00 1.21 O ATOM 354 CB SER A 25 -1.782 6.806 -7.274 1.00 0.91 C ATOM 355 OG SER A 25 -0.862 6.637 -8.338 1.00 1.46 O ATOM 0 H SER A 25 -3.775 6.859 -5.769 1.00 0.76 H new ATOM 0 HA SER A 25 -3.398 6.639 -8.618 1.00 0.85 H new ATOM 0 HB2 SER A 25 -1.896 7.866 -7.046 1.00 0.91 H new ATOM 0 HB3 SER A 25 -1.400 6.326 -6.373 1.00 0.91 H new ATOM 0 HG SER A 25 0.002 7.026 -8.088 1.00 1.46 H new ATOM 361 N LEU A 26 -2.637 3.955 -6.814 1.00 0.95 N ATOM 362 CA LEU A 26 -2.306 2.545 -6.852 1.00 1.17 C ATOM 363 C LEU A 26 -3.463 1.667 -7.342 1.00 0.96 C ATOM 364 O LEU A 26 -3.230 0.669 -8.019 1.00 0.91 O ATOM 365 CB LEU A 26 -1.805 2.189 -5.450 1.00 1.49 C ATOM 366 CG LEU A 26 -1.561 0.704 -5.196 1.00 1.48 C ATOM 367 CD1 LEU A 26 -0.529 0.103 -6.155 1.00 3.20 C ATOM 368 CD2 LEU A 26 -1.045 0.567 -3.764 1.00 1.50 C ATOM 0 H LEU A 26 -2.471 4.365 -5.895 1.00 0.95 H new ATOM 0 HA LEU A 26 -1.529 2.346 -7.590 1.00 1.17 H new ATOM 0 HB2 LEU A 26 -0.875 2.728 -5.268 1.00 1.49 H new ATOM 0 HB3 LEU A 26 -2.531 2.550 -4.721 1.00 1.49 H new ATOM 0 HG LEU A 26 -2.495 0.165 -5.354 1.00 1.48 H new ATOM 0 HD11 LEU A 26 -0.395 -0.955 -5.929 1.00 3.20 H new ATOM 0 HD12 LEU A 26 -0.879 0.213 -7.181 1.00 3.20 H new ATOM 0 HD13 LEU A 26 0.422 0.622 -6.038 1.00 3.20 H new ATOM 0 HD21 LEU A 26 -0.858 -0.484 -3.544 1.00 1.50 H new ATOM 0 HD22 LEU A 26 -0.118 1.131 -3.656 1.00 1.50 H new ATOM 0 HD23 LEU A 26 -1.790 0.956 -3.070 1.00 1.50 H new ATOM 380 N THR A 27 -4.715 2.037 -7.066 1.00 0.93 N ATOM 381 CA THR A 27 -5.869 1.295 -7.569 1.00 0.93 C ATOM 382 C THR A 27 -5.891 1.203 -9.106 1.00 0.97 C ATOM 383 O THR A 27 -6.505 0.291 -9.658 1.00 1.39 O ATOM 384 CB THR A 27 -7.162 1.846 -6.945 1.00 0.99 C ATOM 385 OG1 THR A 27 -7.050 1.774 -5.542 1.00 1.85 O ATOM 386 CG2 THR A 27 -8.404 1.044 -7.345 1.00 2.02 C ATOM 0 H THR A 27 -4.954 2.848 -6.496 1.00 0.93 H new ATOM 0 HA THR A 27 -5.785 0.256 -7.249 1.00 0.93 H new ATOM 0 HB THR A 27 -7.282 2.868 -7.305 1.00 0.99 H new ATOM 0 HG1 THR A 27 -6.507 2.523 -5.218 1.00 1.85 H new ATOM 0 HG21 THR A 27 -9.285 1.480 -6.875 1.00 2.02 H new ATOM 0 HG22 THR A 27 -8.521 1.070 -8.428 1.00 2.02 H new ATOM 0 HG23 THR A 27 -8.291 0.011 -7.017 1.00 2.02 H new ATOM 394 N LYS A 28 -5.171 2.080 -9.821 1.00 0.96 N ATOM 395 CA LYS A 28 -4.986 1.937 -11.262 1.00 0.99 C ATOM 396 C LYS A 28 -4.358 0.583 -11.638 1.00 0.92 C ATOM 397 O LYS A 28 -4.547 0.127 -12.766 1.00 1.09 O ATOM 398 CB LYS A 28 -4.185 3.122 -11.835 1.00 1.18 C ATOM 399 CG LYS A 28 -2.686 3.027 -11.513 1.00 1.92 C ATOM 400 CD LYS A 28 -1.946 4.369 -11.594 1.00 2.76 C ATOM 401 CE LYS A 28 -1.885 4.924 -13.021 1.00 3.45 C ATOM 402 NZ LYS A 28 -1.122 6.188 -13.072 1.00 4.84 N ATOM 0 H LYS A 28 -4.709 2.895 -9.419 1.00 0.96 H new ATOM 0 HA LYS A 28 -5.975 1.953 -11.720 1.00 0.99 H new ATOM 0 HB2 LYS A 28 -4.320 3.159 -12.916 1.00 1.18 H new ATOM 0 HB3 LYS A 28 -4.582 4.054 -11.432 1.00 1.18 H new ATOM 0 HG2 LYS A 28 -2.565 2.617 -10.510 1.00 1.92 H new ATOM 0 HG3 LYS A 28 -2.220 2.324 -12.204 1.00 1.92 H new ATOM 0 HD2 LYS A 28 -2.442 5.093 -10.948 1.00 2.76 H new ATOM 0 HD3 LYS A 28 -0.932 4.244 -11.213 1.00 2.76 H new ATOM 0 HE2 LYS A 28 -1.421 4.190 -13.680 1.00 3.45 H new ATOM 0 HE3 LYS A 28 -2.896 5.092 -13.392 1.00 3.45 H new ATOM 0 HZ1 LYS A 28 -1.098 6.540 -14.050 1.00 4.84 H new ATOM 0 HZ2 LYS A 28 -1.580 6.895 -12.461 1.00 4.84 H new ATOM 0 HZ3 LYS A 28 -0.151 6.021 -12.740 1.00 4.84 H new ATOM 416 N HIS A 29 -3.608 -0.059 -10.731 1.00 0.77 N ATOM 417 CA HIS A 29 -3.049 -1.384 -10.949 1.00 0.78 C ATOM 418 C HIS A 29 -4.076 -2.413 -10.475 1.00 0.92 C ATOM 419 O HIS A 29 -4.060 -2.792 -9.308 1.00 1.83 O ATOM 420 CB HIS A 29 -1.742 -1.561 -10.154 1.00 0.85 C ATOM 421 CG HIS A 29 -0.627 -0.587 -10.452 1.00 1.24 C ATOM 422 ND1 HIS A 29 0.644 -0.912 -10.874 1.00 1.95 N ATOM 423 CD2 HIS A 29 -0.591 0.722 -10.058 1.00 1.54 C ATOM 424 CE1 HIS A 29 1.402 0.195 -10.768 1.00 2.11 C ATOM 425 NE2 HIS A 29 0.686 1.225 -10.297 1.00 1.86 N ATOM 0 H HIS A 29 -3.375 0.337 -9.820 1.00 0.77 H new ATOM 0 HA HIS A 29 -2.824 -1.517 -12.007 1.00 0.78 H new ATOM 0 HB2 HIS A 29 -1.978 -1.492 -9.092 1.00 0.85 H new ATOM 0 HB3 HIS A 29 -1.369 -2.569 -10.333 1.00 0.85 H new ATOM 0 HD2 HIS A 29 -1.416 1.274 -9.632 1.00 1.54 H new ATOM 0 HE1 HIS A 29 2.449 0.246 -11.028 1.00 2.11 H new ATOM 0 HE2 HIS A 29 1.009 2.180 -10.145 1.00 1.86 H new ATOM 433 N ARG A 30 -4.936 -2.932 -11.359 1.00 0.81 N ATOM 434 CA ARG A 30 -6.018 -3.840 -10.960 1.00 1.09 C ATOM 435 C ARG A 30 -5.531 -5.195 -10.404 1.00 1.00 C ATOM 436 O ARG A 30 -6.349 -6.065 -10.119 1.00 1.79 O ATOM 437 CB ARG A 30 -7.019 -4.049 -12.113 1.00 1.76 C ATOM 438 CG ARG A 30 -7.920 -2.834 -12.402 1.00 2.61 C ATOM 439 CD ARG A 30 -7.273 -1.760 -13.281 1.00 3.44 C ATOM 440 NE ARG A 30 -6.921 -2.295 -14.608 1.00 3.62 N ATOM 441 CZ ARG A 30 -6.103 -1.723 -15.508 1.00 5.05 C ATOM 442 NH1 ARG A 30 -5.359 -0.661 -15.185 1.00 6.14 N ATOM 443 NH2 ARG A 30 -6.033 -2.225 -16.747 1.00 6.14 N ATOM 0 H ARG A 30 -4.903 -2.738 -12.360 1.00 0.81 H new ATOM 0 HA ARG A 30 -6.524 -3.344 -10.132 1.00 1.09 H new ATOM 0 HB2 ARG A 30 -6.465 -4.298 -13.018 1.00 1.76 H new ATOM 0 HB3 ARG A 30 -7.650 -4.906 -11.879 1.00 1.76 H new ATOM 0 HG2 ARG A 30 -8.833 -3.181 -12.887 1.00 2.61 H new ATOM 0 HG3 ARG A 30 -8.214 -2.382 -11.455 1.00 2.61 H new ATOM 0 HD2 ARG A 30 -7.958 -0.920 -13.395 1.00 3.44 H new ATOM 0 HD3 ARG A 30 -6.377 -1.377 -12.792 1.00 3.44 H new ATOM 0 HE ARG A 30 -7.340 -3.188 -14.869 1.00 3.62 H new ATOM 0 HH11 ARG A 30 -5.407 -0.272 -14.243 1.00 6.14 H new ATOM 0 HH12 ARG A 30 -4.743 -0.239 -15.880 1.00 6.14 H new ATOM 0 HH21 ARG A 30 -6.598 -3.035 -17.002 1.00 6.14 H new ATOM 0 HH22 ARG A 30 -5.415 -1.797 -17.436 1.00 6.14 H new ATOM 457 N GLY A 31 -4.220 -5.392 -10.230 1.00 0.72 N ATOM 458 CA GLY A 31 -3.694 -6.483 -9.428 1.00 0.71 C ATOM 459 C GLY A 31 -3.977 -6.270 -7.942 1.00 0.67 C ATOM 460 O GLY A 31 -4.066 -7.241 -7.188 1.00 0.96 O ATOM 0 H GLY A 31 -3.502 -4.797 -10.643 1.00 0.72 H new ATOM 0 HA2 GLY A 31 -4.139 -7.423 -9.753 1.00 0.71 H new ATOM 0 HA3 GLY A 31 -2.619 -6.568 -9.587 1.00 0.71 H new ATOM 464 N ILE A 32 -4.115 -5.009 -7.514 1.00 0.74 N ATOM 465 CA ILE A 32 -4.575 -4.709 -6.177 1.00 0.72 C ATOM 466 C ILE A 32 -6.096 -4.857 -6.172 1.00 0.72 C ATOM 467 O ILE A 32 -6.755 -4.578 -7.173 1.00 0.93 O ATOM 468 CB ILE A 32 -4.063 -3.336 -5.695 1.00 0.85 C ATOM 469 CG1 ILE A 32 -4.859 -2.102 -6.158 1.00 1.52 C ATOM 470 CG2 ILE A 32 -2.577 -3.158 -6.026 1.00 1.53 C ATOM 471 CD1 ILE A 32 -6.173 -1.909 -5.396 1.00 2.45 C ATOM 0 H ILE A 32 -3.911 -4.188 -8.084 1.00 0.74 H new ATOM 0 HA ILE A 32 -4.163 -5.408 -5.450 1.00 0.72 H new ATOM 0 HB ILE A 32 -4.220 -3.372 -4.617 1.00 0.85 H new ATOM 0 HG12 ILE A 32 -4.241 -1.212 -6.035 1.00 1.52 H new ATOM 0 HG13 ILE A 32 -5.074 -2.195 -7.222 1.00 1.52 H new ATOM 0 HG21 ILE A 32 -2.241 -2.182 -5.676 1.00 1.53 H new ATOM 0 HG22 ILE A 32 -1.998 -3.940 -5.534 1.00 1.53 H new ATOM 0 HG23 ILE A 32 -2.434 -3.226 -7.104 1.00 1.53 H new ATOM 0 HD11 ILE A 32 -6.684 -1.022 -5.771 1.00 2.45 H new ATOM 0 HD12 ILE A 32 -6.809 -2.783 -5.540 1.00 2.45 H new ATOM 0 HD13 ILE A 32 -5.963 -1.784 -4.334 1.00 2.45 H new ATOM 483 N LEU A 33 -6.637 -5.306 -5.044 1.00 0.70 N ATOM 484 CA LEU A 33 -8.061 -5.431 -4.786 1.00 0.80 C ATOM 485 C LEU A 33 -8.508 -4.265 -3.902 1.00 0.86 C ATOM 486 O LEU A 33 -9.556 -3.677 -4.154 1.00 1.01 O ATOM 487 CB LEU A 33 -8.357 -6.787 -4.125 1.00 0.89 C ATOM 488 CG LEU A 33 -7.890 -7.994 -4.960 1.00 1.04 C ATOM 489 CD1 LEU A 33 -8.022 -9.276 -4.131 1.00 1.95 C ATOM 490 CD2 LEU A 33 -8.687 -8.139 -6.261 1.00 1.47 C ATOM 0 H LEU A 33 -6.067 -5.605 -4.253 1.00 0.70 H new ATOM 0 HA LEU A 33 -8.619 -5.393 -5.721 1.00 0.80 H new ATOM 0 HB2 LEU A 33 -7.871 -6.820 -3.150 1.00 0.89 H new ATOM 0 HB3 LEU A 33 -9.430 -6.870 -3.950 1.00 0.89 H new ATOM 0 HG LEU A 33 -6.847 -7.825 -5.229 1.00 1.04 H new ATOM 0 HD11 LEU A 33 -7.691 -10.129 -4.724 1.00 1.95 H new ATOM 0 HD12 LEU A 33 -7.405 -9.195 -3.236 1.00 1.95 H new ATOM 0 HD13 LEU A 33 -9.064 -9.417 -3.843 1.00 1.95 H new ATOM 0 HD21 LEU A 33 -8.323 -9.003 -6.817 1.00 1.47 H new ATOM 0 HD22 LEU A 33 -9.743 -8.277 -6.028 1.00 1.47 H new ATOM 0 HD23 LEU A 33 -8.563 -7.241 -6.866 1.00 1.47 H new ATOM 502 N TYR A 34 -7.718 -3.914 -2.877 1.00 0.80 N ATOM 503 CA TYR A 34 -7.972 -2.731 -2.061 1.00 0.94 C ATOM 504 C TYR A 34 -6.674 -2.251 -1.422 1.00 0.86 C ATOM 505 O TYR A 34 -5.787 -3.079 -1.221 1.00 0.72 O ATOM 506 CB TYR A 34 -8.980 -3.070 -0.956 1.00 1.11 C ATOM 507 CG TYR A 34 -9.597 -1.835 -0.332 1.00 1.31 C ATOM 508 CD1 TYR A 34 -10.303 -0.924 -1.141 1.00 2.31 C ATOM 509 CD2 TYR A 34 -9.292 -1.495 0.998 1.00 2.05 C ATOM 510 CE1 TYR A 34 -10.559 0.376 -0.676 1.00 2.83 C ATOM 511 CE2 TYR A 34 -9.587 -0.207 1.471 1.00 2.34 C ATOM 512 CZ TYR A 34 -10.108 0.760 0.597 1.00 2.41 C ATOM 513 OH TYR A 34 -10.148 2.063 0.986 1.00 3.14 O ATOM 0 H TYR A 34 -6.892 -4.442 -2.596 1.00 0.80 H new ATOM 0 HA TYR A 34 -8.376 -1.944 -2.698 1.00 0.94 H new ATOM 0 HB2 TYR A 34 -9.770 -3.697 -1.370 1.00 1.11 H new ATOM 0 HB3 TYR A 34 -8.482 -3.654 -0.182 1.00 1.11 H new ATOM 0 HD1 TYR A 34 -10.648 -1.225 -2.119 1.00 2.31 H new ATOM 0 HD2 TYR A 34 -8.833 -2.221 1.652 1.00 2.05 H new ATOM 0 HE1 TYR A 34 -11.100 1.077 -1.294 1.00 2.83 H new ATOM 0 HE2 TYR A 34 -9.413 0.040 2.508 1.00 2.34 H new ATOM 0 HH TYR A 34 -9.687 2.617 0.322 1.00 3.14 H new ATOM 523 N CYS A 35 -6.566 -0.962 -1.074 1.00 1.05 N ATOM 524 CA CYS A 35 -5.393 -0.389 -0.423 1.00 1.12 C ATOM 525 C CYS A 35 -5.833 0.435 0.792 1.00 1.40 C ATOM 526 O CYS A 35 -5.882 1.663 0.733 1.00 2.59 O ATOM 527 CB CYS A 35 -4.619 0.480 -1.424 1.00 1.18 C ATOM 528 SG CYS A 35 -4.153 -0.456 -2.900 1.00 2.77 S ATOM 0 H CYS A 35 -7.307 -0.281 -1.242 1.00 1.05 H new ATOM 0 HA CYS A 35 -4.734 -1.187 -0.080 1.00 1.12 H new ATOM 0 HB2 CYS A 35 -5.230 1.335 -1.713 1.00 1.18 H new ATOM 0 HB3 CYS A 35 -3.723 0.876 -0.946 1.00 1.18 H new ATOM 0 HG CYS A 35 -4.103 0.344 -3.923 1.00 2.77 H new ATOM 534 N SER A 36 -6.089 -0.212 1.937 1.00 0.65 N ATOM 535 CA SER A 36 -6.529 0.493 3.139 1.00 0.76 C ATOM 536 C SER A 36 -5.320 1.167 3.790 1.00 0.67 C ATOM 537 O SER A 36 -4.733 0.665 4.751 1.00 0.84 O ATOM 538 CB SER A 36 -7.260 -0.442 4.116 1.00 1.06 C ATOM 539 OG SER A 36 -8.152 0.289 4.937 1.00 1.47 O ATOM 0 H SER A 36 -5.998 -1.221 2.052 1.00 0.65 H new ATOM 0 HA SER A 36 -7.253 1.258 2.858 1.00 0.76 H new ATOM 0 HB2 SER A 36 -7.810 -1.200 3.559 1.00 1.06 H new ATOM 0 HB3 SER A 36 -6.534 -0.967 4.737 1.00 1.06 H new ATOM 0 HG SER A 36 -8.609 -0.324 5.550 1.00 1.47 H new ATOM 545 N VAL A 37 -4.944 2.303 3.211 1.00 0.80 N ATOM 546 CA VAL A 37 -3.881 3.180 3.654 1.00 0.85 C ATOM 547 C VAL A 37 -4.393 4.046 4.809 1.00 0.89 C ATOM 548 O VAL A 37 -5.525 4.521 4.772 1.00 1.01 O ATOM 549 CB VAL A 37 -3.428 4.017 2.447 1.00 0.98 C ATOM 550 CG1 VAL A 37 -2.392 5.065 2.846 1.00 1.97 C ATOM 551 CG2 VAL A 37 -2.801 3.124 1.367 1.00 2.86 C ATOM 0 H VAL A 37 -5.405 2.651 2.370 1.00 0.80 H new ATOM 0 HA VAL A 37 -3.023 2.621 4.028 1.00 0.85 H new ATOM 0 HB VAL A 37 -4.319 4.512 2.061 1.00 0.98 H new ATOM 0 HG11 VAL A 37 -2.096 5.637 1.967 1.00 1.97 H new ATOM 0 HG12 VAL A 37 -2.822 5.737 3.588 1.00 1.97 H new ATOM 0 HG13 VAL A 37 -1.518 4.570 3.268 1.00 1.97 H new ATOM 0 HG21 VAL A 37 -2.488 3.739 0.523 1.00 2.86 H new ATOM 0 HG22 VAL A 37 -1.935 2.607 1.780 1.00 2.86 H new ATOM 0 HG23 VAL A 37 -3.534 2.391 1.030 1.00 2.86 H new ATOM 561 N ALA A 38 -3.564 4.274 5.832 1.00 0.87 N ATOM 562 CA ALA A 38 -3.841 5.256 6.868 1.00 1.00 C ATOM 563 C ALA A 38 -2.553 5.730 7.520 1.00 0.95 C ATOM 564 O ALA A 38 -1.587 4.982 7.639 1.00 1.15 O ATOM 565 CB ALA A 38 -4.715 4.663 7.959 1.00 1.03 C ATOM 0 H ALA A 38 -2.682 3.778 5.959 1.00 0.87 H new ATOM 0 HA ALA A 38 -4.353 6.090 6.387 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -4.907 5.418 8.722 1.00 1.03 H new ATOM 0 HB2 ALA A 38 -5.660 4.333 7.529 1.00 1.03 H new ATOM 0 HB3 ALA A 38 -4.205 3.812 8.411 1.00 1.03 H new ATOM 571 N LEU A 39 -2.600 6.961 8.017 1.00 0.80 N ATOM 572 CA LEU A 39 -1.488 7.654 8.654 1.00 0.87 C ATOM 573 C LEU A 39 -1.573 7.492 10.168 1.00 0.83 C ATOM 574 O LEU A 39 -0.554 7.287 10.817 1.00 0.89 O ATOM 575 CB LEU A 39 -1.396 9.113 8.173 1.00 1.16 C ATOM 576 CG LEU A 39 -2.585 10.026 8.529 1.00 0.77 C ATOM 577 CD1 LEU A 39 -2.353 10.770 9.852 1.00 1.68 C ATOM 578 CD2 LEU A 39 -2.768 11.074 7.424 1.00 1.18 C ATOM 0 H LEU A 39 -3.449 7.526 7.985 1.00 0.80 H new ATOM 0 HA LEU A 39 -0.545 7.199 8.352 1.00 0.87 H new ATOM 0 HB2 LEU A 39 -0.490 9.554 8.589 1.00 1.16 H new ATOM 0 HB3 LEU A 39 -1.280 9.109 7.089 1.00 1.16 H new ATOM 0 HG LEU A 39 -3.468 9.394 8.628 1.00 0.77 H new ATOM 0 HD11 LEU A 39 -3.213 11.404 10.069 1.00 1.68 H new ATOM 0 HD12 LEU A 39 -2.222 10.048 10.658 1.00 1.68 H new ATOM 0 HD13 LEU A 39 -1.459 11.388 9.770 1.00 1.68 H new ATOM 0 HD21 LEU A 39 -3.609 11.722 7.673 1.00 1.18 H new ATOM 0 HD22 LEU A 39 -1.862 11.673 7.337 1.00 1.18 H new ATOM 0 HD23 LEU A 39 -2.964 10.573 6.476 1.00 1.18 H new ATOM 590 N ALA A 40 -2.792 7.485 10.723 1.00 0.94 N ATOM 591 CA ALA A 40 -3.040 7.322 12.153 1.00 1.04 C ATOM 592 C ALA A 40 -2.304 6.118 12.750 1.00 0.97 C ATOM 593 O ALA A 40 -1.851 6.178 13.888 1.00 1.17 O ATOM 594 CB ALA A 40 -4.547 7.206 12.393 1.00 1.24 C ATOM 0 H ALA A 40 -3.646 7.595 10.177 1.00 0.94 H new ATOM 0 HA ALA A 40 -2.647 8.203 12.661 1.00 1.04 H new ATOM 0 HB1 ALA A 40 -4.737 7.084 13.459 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -5.043 8.109 12.037 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -4.936 6.342 11.854 1.00 1.24 H new ATOM 600 N THR A 41 -2.205 5.020 11.992 1.00 0.86 N ATOM 601 CA THR A 41 -1.435 3.835 12.374 1.00 0.88 C ATOM 602 C THR A 41 -0.256 3.603 11.424 1.00 0.77 C ATOM 603 O THR A 41 0.390 2.562 11.497 1.00 1.02 O ATOM 604 CB THR A 41 -2.363 2.608 12.378 1.00 1.00 C ATOM 605 OG1 THR A 41 -3.688 2.945 12.759 1.00 1.92 O ATOM 606 CG2 THR A 41 -1.877 1.452 13.255 1.00 1.78 C ATOM 0 H THR A 41 -2.664 4.930 11.085 1.00 0.86 H new ATOM 0 HA THR A 41 -1.027 3.994 13.372 1.00 0.88 H new ATOM 0 HB THR A 41 -2.347 2.263 11.344 1.00 1.00 H new ATOM 0 HG1 THR A 41 -3.879 2.570 13.644 1.00 1.92 H new ATOM 0 HG21 THR A 41 -2.590 0.629 13.200 1.00 1.78 H new ATOM 0 HG22 THR A 41 -0.903 1.113 12.903 1.00 1.78 H new ATOM 0 HG23 THR A 41 -1.792 1.790 14.288 1.00 1.78 H new ATOM 614 N ASN A 42 0.004 4.542 10.511 1.00 0.70 N ATOM 615 CA ASN A 42 1.029 4.418 9.486 1.00 0.68 C ATOM 616 C ASN A 42 0.986 3.062 8.810 1.00 0.68 C ATOM 617 O ASN A 42 2.006 2.396 8.705 1.00 0.91 O ATOM 618 CB ASN A 42 2.410 4.753 10.083 1.00 0.81 C ATOM 619 CG ASN A 42 2.535 6.259 10.142 1.00 1.07 C ATOM 620 OD1 ASN A 42 2.641 6.864 11.203 1.00 1.53 O ATOM 621 ND2 ASN A 42 2.435 6.863 8.968 1.00 2.06 N ATOM 0 H ASN A 42 -0.505 5.425 10.467 1.00 0.70 H new ATOM 0 HA ASN A 42 0.830 5.142 8.696 1.00 0.68 H new ATOM 0 HB2 ASN A 42 2.510 4.322 11.079 1.00 0.81 H new ATOM 0 HB3 ASN A 42 3.205 4.327 9.470 1.00 0.81 H new ATOM 0 HD21 ASN A 42 2.444 7.882 8.916 1.00 2.06 H new ATOM 0 HD22 ASN A 42 2.349 6.310 8.115 1.00 2.06 H new ATOM 628 N LYS A 43 -0.197 2.669 8.341 1.00 0.56 N ATOM 629 CA LYS A 43 -0.483 1.337 7.838 1.00 0.60 C ATOM 630 C LYS A 43 -0.960 1.410 6.399 1.00 0.50 C ATOM 631 O LYS A 43 -1.473 2.434 5.950 1.00 0.59 O ATOM 632 CB LYS A 43 -1.551 0.649 8.696 1.00 0.89 C ATOM 633 CG LYS A 43 -2.831 1.491 8.770 1.00 1.73 C ATOM 634 CD LYS A 43 -3.851 0.823 9.696 1.00 2.00 C ATOM 635 CE LYS A 43 -4.973 1.787 10.102 1.00 2.50 C ATOM 636 NZ LYS A 43 -5.522 1.484 11.438 1.00 4.46 N ATOM 0 H LYS A 43 -1.004 3.292 8.302 1.00 0.56 H new ATOM 0 HA LYS A 43 0.436 0.754 7.886 1.00 0.60 H new ATOM 0 HB2 LYS A 43 -1.781 -0.331 8.278 1.00 0.89 H new ATOM 0 HB3 LYS A 43 -1.163 0.484 9.701 1.00 0.89 H new ATOM 0 HG2 LYS A 43 -2.597 2.491 9.136 1.00 1.73 H new ATOM 0 HG3 LYS A 43 -3.256 1.608 7.773 1.00 1.73 H new ATOM 0 HD2 LYS A 43 -4.281 -0.045 9.196 1.00 2.00 H new ATOM 0 HD3 LYS A 43 -3.345 0.458 10.590 1.00 2.00 H new ATOM 0 HE2 LYS A 43 -4.592 2.808 10.092 1.00 2.50 H new ATOM 0 HE3 LYS A 43 -5.774 1.739 9.364 1.00 2.50 H new ATOM 0 HZ1 LYS A 43 -6.409 2.009 11.576 1.00 4.46 H new ATOM 0 HZ2 LYS A 43 -5.708 0.464 11.514 1.00 4.46 H new ATOM 0 HZ3 LYS A 43 -4.836 1.766 12.167 1.00 4.46 H new ATOM 650 N ALA A 44 -0.828 0.284 5.712 1.00 0.57 N ATOM 651 CA ALA A 44 -1.427 0.042 4.416 1.00 0.55 C ATOM 652 C ALA A 44 -1.785 -1.424 4.313 1.00 0.53 C ATOM 653 O ALA A 44 -0.937 -2.255 3.986 1.00 0.63 O ATOM 654 CB ALA A 44 -0.520 0.487 3.274 1.00 0.67 C ATOM 0 H ALA A 44 -0.284 -0.507 6.055 1.00 0.57 H new ATOM 0 HA ALA A 44 -2.333 0.641 4.325 1.00 0.55 H new ATOM 0 HB1 ALA A 44 -1.010 0.286 2.321 1.00 0.67 H new ATOM 0 HB2 ALA A 44 -0.321 1.555 3.362 1.00 0.67 H new ATOM 0 HB3 ALA A 44 0.420 -0.062 3.321 1.00 0.67 H new ATOM 660 N HIS A 45 -3.050 -1.728 4.599 1.00 0.58 N ATOM 661 CA HIS A 45 -3.589 -3.049 4.365 1.00 0.61 C ATOM 662 C HIS A 45 -3.957 -3.135 2.887 1.00 0.59 C ATOM 663 O HIS A 45 -5.048 -2.728 2.487 1.00 0.69 O ATOM 664 CB HIS A 45 -4.736 -3.327 5.341 1.00 0.71 C ATOM 665 CG HIS A 45 -5.157 -4.767 5.366 1.00 0.85 C ATOM 666 ND1 HIS A 45 -5.230 -5.585 6.469 1.00 0.96 N ATOM 667 CD2 HIS A 45 -5.587 -5.479 4.287 1.00 0.95 C ATOM 668 CE1 HIS A 45 -5.722 -6.764 6.055 1.00 1.09 C ATOM 669 NE2 HIS A 45 -5.961 -6.750 4.730 1.00 1.09 N ATOM 0 H HIS A 45 -3.717 -1.066 4.995 1.00 0.58 H new ATOM 0 HA HIS A 45 -2.866 -3.840 4.564 1.00 0.61 H new ATOM 0 HB2 HIS A 45 -4.432 -3.027 6.344 1.00 0.71 H new ATOM 0 HB3 HIS A 45 -5.592 -2.710 5.070 1.00 0.71 H new ATOM 0 HD1 HIS A 45 -4.961 -5.342 7.422 1.00 0.96 H new ATOM 0 HD2 HIS A 45 -5.631 -5.123 3.268 1.00 0.95 H new ATOM 0 HE1 HIS A 45 -5.902 -7.611 6.700 1.00 1.09 H new ATOM 677 N ILE A 46 -3.033 -3.657 2.080 1.00 0.63 N ATOM 678 CA ILE A 46 -3.260 -3.974 0.686 1.00 0.64 C ATOM 679 C ILE A 46 -3.830 -5.388 0.631 1.00 0.62 C ATOM 680 O ILE A 46 -3.205 -6.340 1.101 1.00 0.85 O ATOM 681 CB ILE A 46 -1.976 -3.816 -0.154 1.00 0.74 C ATOM 682 CG1 ILE A 46 -1.744 -2.358 -0.581 1.00 1.26 C ATOM 683 CG2 ILE A 46 -2.072 -4.616 -1.460 1.00 1.56 C ATOM 684 CD1 ILE A 46 -1.585 -1.387 0.581 1.00 1.63 C ATOM 0 H ILE A 46 -2.087 -3.873 2.393 1.00 0.63 H new ATOM 0 HA ILE A 46 -3.971 -3.275 0.245 1.00 0.64 H new ATOM 0 HB ILE A 46 -1.165 -4.170 0.483 1.00 0.74 H new ATOM 0 HG12 ILE A 46 -0.851 -2.311 -1.204 1.00 1.26 H new ATOM 0 HG13 ILE A 46 -2.581 -2.034 -1.199 1.00 1.26 H new ATOM 0 HG21 ILE A 46 -1.154 -4.488 -2.034 1.00 1.56 H new ATOM 0 HG22 ILE A 46 -2.212 -5.672 -1.230 1.00 1.56 H new ATOM 0 HG23 ILE A 46 -2.919 -4.257 -2.045 1.00 1.56 H new ATOM 0 HD11 ILE A 46 -1.425 -0.380 0.195 1.00 1.63 H new ATOM 0 HD12 ILE A 46 -2.487 -1.402 1.193 1.00 1.63 H new ATOM 0 HD13 ILE A 46 -0.729 -1.683 1.188 1.00 1.63 H new ATOM 696 N LYS A 47 -5.009 -5.516 0.029 1.00 0.61 N ATOM 697 CA LYS A 47 -5.519 -6.778 -0.467 1.00 0.65 C ATOM 698 C LYS A 47 -5.182 -6.793 -1.954 1.00 0.64 C ATOM 699 O LYS A 47 -5.448 -5.798 -2.628 1.00 0.79 O ATOM 700 CB LYS A 47 -7.028 -6.848 -0.202 1.00 0.82 C ATOM 701 CG LYS A 47 -7.296 -7.178 1.275 1.00 0.75 C ATOM 702 CD LYS A 47 -7.361 -8.695 1.507 1.00 1.32 C ATOM 703 CE LYS A 47 -8.756 -9.225 1.145 1.00 1.53 C ATOM 704 NZ LYS A 47 -8.735 -10.663 0.821 1.00 2.36 N ATOM 0 H LYS A 47 -5.641 -4.731 -0.127 1.00 0.61 H new ATOM 0 HA LYS A 47 -5.081 -7.647 0.023 1.00 0.65 H new ATOM 0 HB2 LYS A 47 -7.494 -5.897 -0.459 1.00 0.82 H new ATOM 0 HB3 LYS A 47 -7.481 -7.607 -0.839 1.00 0.82 H new ATOM 0 HG2 LYS A 47 -6.509 -6.747 1.894 1.00 0.75 H new ATOM 0 HG3 LYS A 47 -8.235 -6.720 1.587 1.00 0.75 H new ATOM 0 HD2 LYS A 47 -6.605 -9.196 0.902 1.00 1.32 H new ATOM 0 HD3 LYS A 47 -7.137 -8.921 2.549 1.00 1.32 H new ATOM 0 HE2 LYS A 47 -9.437 -9.051 1.978 1.00 1.53 H new ATOM 0 HE3 LYS A 47 -9.146 -8.667 0.293 1.00 1.53 H new ATOM 0 HZ1 LYS A 47 -9.697 -10.979 0.583 1.00 2.36 H new ATOM 0 HZ2 LYS A 47 -8.106 -10.827 0.010 1.00 2.36 H new ATOM 0 HZ3 LYS A 47 -8.388 -11.199 1.642 1.00 2.36 H new ATOM 718 N TYR A 48 -4.563 -7.864 -2.460 1.00 0.76 N ATOM 719 CA TYR A 48 -4.067 -7.949 -3.832 1.00 0.79 C ATOM 720 C TYR A 48 -4.007 -9.409 -4.269 1.00 0.76 C ATOM 721 O TYR A 48 -3.971 -10.288 -3.410 1.00 0.87 O ATOM 722 CB TYR A 48 -2.680 -7.292 -3.951 1.00 0.84 C ATOM 723 CG TYR A 48 -1.517 -8.070 -3.351 1.00 0.78 C ATOM 724 CD1 TYR A 48 -1.502 -8.413 -1.987 1.00 2.30 C ATOM 725 CD2 TYR A 48 -0.439 -8.462 -4.167 1.00 1.99 C ATOM 726 CE1 TYR A 48 -0.492 -9.249 -1.482 1.00 2.26 C ATOM 727 CE2 TYR A 48 0.663 -9.134 -3.613 1.00 2.09 C ATOM 728 CZ TYR A 48 0.615 -9.570 -2.280 1.00 0.93 C ATOM 729 OH TYR A 48 1.631 -10.315 -1.761 1.00 1.08 O ATOM 0 H TYR A 48 -4.391 -8.710 -1.916 1.00 0.76 H new ATOM 0 HA TYR A 48 -4.752 -7.411 -4.487 1.00 0.79 H new ATOM 0 HB2 TYR A 48 -2.470 -7.122 -5.007 1.00 0.84 H new ATOM 0 HB3 TYR A 48 -2.722 -6.314 -3.472 1.00 0.84 H new ATOM 0 HD1 TYR A 48 -2.268 -8.033 -1.327 1.00 2.30 H new ATOM 0 HD2 TYR A 48 -0.459 -8.245 -5.225 1.00 1.99 H new ATOM 0 HE1 TYR A 48 -0.568 -9.644 -0.480 1.00 2.26 H new ATOM 0 HE2 TYR A 48 1.544 -9.315 -4.211 1.00 2.09 H new ATOM 0 HH TYR A 48 2.320 -10.449 -2.444 1.00 1.08 H new ATOM 739 N ASP A 49 -3.959 -9.672 -5.579 1.00 0.75 N ATOM 740 CA ASP A 49 -3.677 -11.013 -6.087 1.00 0.83 C ATOM 741 C ASP A 49 -2.158 -11.158 -6.244 1.00 0.85 C ATOM 742 O ASP A 49 -1.558 -10.390 -7.003 1.00 0.84 O ATOM 743 CB ASP A 49 -4.423 -11.289 -7.403 1.00 0.97 C ATOM 744 CG ASP A 49 -5.669 -12.136 -7.168 1.00 2.35 C ATOM 745 OD1 ASP A 49 -5.491 -13.295 -6.726 1.00 3.30 O ATOM 746 OD2 ASP A 49 -6.773 -11.614 -7.429 1.00 3.40 O ATOM 0 H ASP A 49 -4.112 -8.972 -6.305 1.00 0.75 H new ATOM 0 HA ASP A 49 -4.039 -11.759 -5.379 1.00 0.83 H new ATOM 0 HB2 ASP A 49 -4.705 -10.345 -7.868 1.00 0.97 H new ATOM 0 HB3 ASP A 49 -3.759 -11.801 -8.099 1.00 0.97 H new ATOM 751 N PRO A 50 -1.509 -12.097 -5.529 1.00 0.95 N ATOM 752 CA PRO A 50 -0.058 -12.161 -5.394 1.00 1.08 C ATOM 753 C PRO A 50 0.603 -12.785 -6.627 1.00 1.27 C ATOM 754 O PRO A 50 1.285 -13.805 -6.534 1.00 2.19 O ATOM 755 CB PRO A 50 0.174 -12.976 -4.114 1.00 1.29 C ATOM 756 CG PRO A 50 -0.994 -13.960 -4.139 1.00 1.27 C ATOM 757 CD PRO A 50 -2.134 -13.096 -4.676 1.00 1.07 C ATOM 0 HA PRO A 50 0.397 -11.173 -5.324 1.00 1.08 H new ATOM 0 HB2 PRO A 50 1.137 -13.487 -4.126 1.00 1.29 H new ATOM 0 HB3 PRO A 50 0.158 -12.348 -3.223 1.00 1.29 H new ATOM 0 HG2 PRO A 50 -0.792 -14.815 -4.785 1.00 1.27 H new ATOM 0 HG3 PRO A 50 -1.215 -14.355 -3.147 1.00 1.27 H new ATOM 0 HD2 PRO A 50 -2.849 -13.697 -5.238 1.00 1.07 H new ATOM 0 HD3 PRO A 50 -2.684 -12.625 -3.861 1.00 1.07 H new ATOM 765 N GLU A 51 0.418 -12.142 -7.779 1.00 1.14 N ATOM 766 CA GLU A 51 0.867 -12.613 -9.082 1.00 1.20 C ATOM 767 C GLU A 51 0.709 -11.494 -10.112 1.00 1.07 C ATOM 768 O GLU A 51 1.625 -11.222 -10.883 1.00 1.50 O ATOM 769 CB GLU A 51 0.113 -13.894 -9.476 1.00 1.38 C ATOM 770 CG GLU A 51 -1.419 -13.769 -9.438 1.00 2.12 C ATOM 771 CD GLU A 51 -2.071 -15.137 -9.330 1.00 2.33 C ATOM 772 OE1 GLU A 51 -1.901 -15.776 -8.269 1.00 3.41 O ATOM 773 OE2 GLU A 51 -2.776 -15.547 -10.273 1.00 2.73 O ATOM 0 H GLU A 51 -0.067 -11.246 -7.829 1.00 1.14 H new ATOM 0 HA GLU A 51 1.925 -12.874 -9.041 1.00 1.20 H new ATOM 0 HB2 GLU A 51 0.416 -14.184 -10.482 1.00 1.38 H new ATOM 0 HB3 GLU A 51 0.416 -14.699 -8.807 1.00 1.38 H new ATOM 0 HG2 GLU A 51 -1.717 -13.152 -8.590 1.00 2.12 H new ATOM 0 HG3 GLU A 51 -1.769 -13.265 -10.338 1.00 2.12 H new ATOM 780 N ILE A 52 -0.442 -10.816 -10.096 1.00 0.83 N ATOM 781 CA ILE A 52 -0.700 -9.677 -10.971 1.00 0.84 C ATOM 782 C ILE A 52 0.216 -8.511 -10.596 1.00 0.72 C ATOM 783 O ILE A 52 0.613 -7.735 -11.463 1.00 0.88 O ATOM 784 CB ILE A 52 -2.187 -9.275 -10.932 1.00 1.06 C ATOM 785 CG1 ILE A 52 -3.085 -10.504 -11.160 1.00 2.17 C ATOM 786 CG2 ILE A 52 -2.468 -8.200 -11.998 1.00 1.78 C ATOM 787 CD1 ILE A 52 -4.581 -10.178 -11.245 1.00 3.29 C ATOM 0 H ILE A 52 -1.219 -11.044 -9.475 1.00 0.83 H new ATOM 0 HA ILE A 52 -0.476 -9.964 -11.999 1.00 0.84 H new ATOM 0 HB ILE A 52 -2.413 -8.864 -9.948 1.00 1.06 H new ATOM 0 HG12 ILE A 52 -2.779 -10.999 -12.082 1.00 2.17 H new ATOM 0 HG13 ILE A 52 -2.924 -11.214 -10.349 1.00 2.17 H new ATOM 0 HG21 ILE A 52 -3.521 -7.921 -11.964 1.00 1.78 H new ATOM 0 HG22 ILE A 52 -1.853 -7.322 -11.800 1.00 1.78 H new ATOM 0 HG23 ILE A 52 -2.229 -8.595 -12.985 1.00 1.78 H new ATOM 0 HD11 ILE A 52 -5.145 -11.097 -11.406 1.00 3.29 H new ATOM 0 HD12 ILE A 52 -4.905 -9.712 -10.315 1.00 3.29 H new ATOM 0 HD13 ILE A 52 -4.758 -9.493 -12.075 1.00 3.29 H new ATOM 799 N ILE A 53 0.541 -8.373 -9.308 1.00 0.62 N ATOM 800 CA ILE A 53 1.419 -7.335 -8.817 1.00 0.65 C ATOM 801 C ILE A 53 2.191 -7.917 -7.634 1.00 0.73 C ATOM 802 O ILE A 53 1.609 -8.612 -6.802 1.00 1.14 O ATOM 803 CB ILE A 53 0.587 -6.086 -8.464 1.00 0.78 C ATOM 804 CG1 ILE A 53 1.534 -4.901 -8.274 1.00 1.54 C ATOM 805 CG2 ILE A 53 -0.290 -6.287 -7.224 1.00 0.86 C ATOM 806 CD1 ILE A 53 0.797 -3.566 -8.306 1.00 1.02 C ATOM 0 H ILE A 53 0.192 -8.992 -8.577 1.00 0.62 H new ATOM 0 HA ILE A 53 2.142 -7.009 -9.565 1.00 0.65 H new ATOM 0 HB ILE A 53 -0.099 -5.892 -9.288 1.00 0.78 H new ATOM 0 HG12 ILE A 53 2.056 -5.004 -7.323 1.00 1.54 H new ATOM 0 HG13 ILE A 53 2.292 -4.915 -9.057 1.00 1.54 H new ATOM 0 HG21 ILE A 53 -0.852 -5.375 -7.024 1.00 0.86 H new ATOM 0 HG22 ILE A 53 -0.983 -7.110 -7.398 1.00 0.86 H new ATOM 0 HG23 ILE A 53 0.341 -6.520 -6.366 1.00 0.86 H new ATOM 0 HD11 ILE A 53 1.510 -2.753 -8.167 1.00 1.02 H new ATOM 0 HD12 ILE A 53 0.297 -3.449 -9.267 1.00 1.02 H new ATOM 0 HD13 ILE A 53 0.057 -3.540 -7.506 1.00 1.02 H new ATOM 818 N GLY A 54 3.500 -7.688 -7.582 1.00 0.82 N ATOM 819 CA GLY A 54 4.348 -8.154 -6.501 1.00 0.86 C ATOM 820 C GLY A 54 4.319 -7.186 -5.314 1.00 0.79 C ATOM 821 O GLY A 54 3.966 -6.014 -5.462 1.00 0.84 O ATOM 0 H GLY A 54 4.003 -7.167 -8.300 1.00 0.82 H new ATOM 0 HA2 GLY A 54 4.018 -9.141 -6.176 1.00 0.86 H new ATOM 0 HA3 GLY A 54 5.372 -8.262 -6.860 1.00 0.86 H new ATOM 825 N PRO A 55 4.735 -7.647 -4.125 1.00 0.79 N ATOM 826 CA PRO A 55 4.809 -6.809 -2.941 1.00 0.82 C ATOM 827 C PRO A 55 5.768 -5.639 -3.175 1.00 0.78 C ATOM 828 O PRO A 55 5.450 -4.495 -2.859 1.00 0.83 O ATOM 829 CB PRO A 55 5.266 -7.734 -1.808 1.00 0.93 C ATOM 830 CG PRO A 55 5.995 -8.871 -2.526 1.00 0.92 C ATOM 831 CD PRO A 55 5.246 -8.981 -3.855 1.00 0.86 C ATOM 0 HA PRO A 55 3.851 -6.353 -2.690 1.00 0.82 H new ATOM 0 HB2 PRO A 55 5.925 -7.216 -1.111 1.00 0.93 H new ATOM 0 HB3 PRO A 55 4.419 -8.105 -1.230 1.00 0.93 H new ATOM 0 HG2 PRO A 55 7.050 -8.642 -2.676 1.00 0.92 H new ATOM 0 HG3 PRO A 55 5.948 -9.801 -1.959 1.00 0.92 H new ATOM 0 HD2 PRO A 55 5.909 -9.316 -4.653 1.00 0.86 H new ATOM 0 HD3 PRO A 55 4.435 -9.706 -3.789 1.00 0.86 H new ATOM 839 N ARG A 56 6.942 -5.911 -3.758 1.00 0.77 N ATOM 840 CA ARG A 56 7.882 -4.846 -4.073 1.00 0.86 C ATOM 841 C ARG A 56 7.303 -3.897 -5.129 1.00 0.70 C ATOM 842 O ARG A 56 7.614 -2.715 -5.091 1.00 0.69 O ATOM 843 CB ARG A 56 9.284 -5.389 -4.419 1.00 1.29 C ATOM 844 CG ARG A 56 10.365 -4.814 -3.478 1.00 2.57 C ATOM 845 CD ARG A 56 10.746 -3.362 -3.818 1.00 3.47 C ATOM 846 NE ARG A 56 11.109 -2.564 -2.632 1.00 4.72 N ATOM 847 CZ ARG A 56 11.247 -1.224 -2.658 1.00 5.84 C ATOM 848 NH1 ARG A 56 11.376 -0.594 -3.824 1.00 6.33 N ATOM 849 NH2 ARG A 56 11.233 -0.512 -1.529 1.00 7.01 N ATOM 0 H ARG A 56 7.254 -6.847 -4.015 1.00 0.77 H new ATOM 0 HA ARG A 56 8.030 -4.246 -3.175 1.00 0.86 H new ATOM 0 HB2 ARG A 56 9.281 -6.477 -4.349 1.00 1.29 H new ATOM 0 HB3 ARG A 56 9.528 -5.137 -5.451 1.00 1.29 H new ATOM 0 HG2 ARG A 56 10.005 -4.858 -2.450 1.00 2.57 H new ATOM 0 HG3 ARG A 56 11.256 -5.440 -3.531 1.00 2.57 H new ATOM 0 HD2 ARG A 56 11.584 -3.367 -4.515 1.00 3.47 H new ATOM 0 HD3 ARG A 56 9.910 -2.884 -4.328 1.00 3.47 H new ATOM 0 HE ARG A 56 11.263 -3.050 -1.749 1.00 4.72 H new ATOM 0 HH11 ARG A 56 11.370 -1.126 -4.694 1.00 6.33 H new ATOM 0 HH12 ARG A 56 11.481 0.420 -3.847 1.00 6.33 H new ATOM 0 HH21 ARG A 56 11.117 -0.982 -0.631 1.00 7.01 H new ATOM 0 HH22 ARG A 56 11.339 0.502 -1.564 1.00 7.01 H new ATOM 863 N ASP A 57 6.451 -4.364 -6.046 1.00 0.70 N ATOM 864 CA ASP A 57 5.823 -3.496 -7.043 1.00 0.67 C ATOM 865 C ASP A 57 4.871 -2.525 -6.348 1.00 0.54 C ATOM 866 O ASP A 57 4.916 -1.314 -6.573 1.00 0.52 O ATOM 867 CB ASP A 57 5.063 -4.314 -8.092 1.00 0.83 C ATOM 868 CG ASP A 57 5.899 -5.375 -8.783 1.00 1.46 C ATOM 869 OD1 ASP A 57 7.122 -5.152 -8.917 1.00 2.62 O ATOM 870 OD2 ASP A 57 5.286 -6.408 -9.129 1.00 2.31 O ATOM 0 H ASP A 57 6.180 -5.345 -6.117 1.00 0.70 H new ATOM 0 HA ASP A 57 6.607 -2.938 -7.556 1.00 0.67 H new ATOM 0 HB2 ASP A 57 4.211 -4.795 -7.613 1.00 0.83 H new ATOM 0 HB3 ASP A 57 4.664 -3.635 -8.846 1.00 0.83 H new ATOM 875 N ILE A 58 4.016 -3.057 -5.471 1.00 0.55 N ATOM 876 CA ILE A 58 3.195 -2.235 -4.589 1.00 0.56 C ATOM 877 C ILE A 58 4.088 -1.205 -3.894 1.00 0.48 C ATOM 878 O ILE A 58 3.878 -0.002 -4.043 1.00 0.56 O ATOM 879 CB ILE A 58 2.428 -3.139 -3.606 1.00 0.64 C ATOM 880 CG1 ILE A 58 1.232 -3.775 -4.327 1.00 0.65 C ATOM 881 CG2 ILE A 58 1.923 -2.395 -2.361 1.00 0.76 C ATOM 882 CD1 ILE A 58 0.936 -5.156 -3.750 1.00 0.77 C ATOM 0 H ILE A 58 3.876 -4.061 -5.355 1.00 0.55 H new ATOM 0 HA ILE A 58 2.444 -1.682 -5.154 1.00 0.56 H new ATOM 0 HB ILE A 58 3.132 -3.897 -3.263 1.00 0.64 H new ATOM 0 HG12 ILE A 58 0.355 -3.135 -4.224 1.00 0.65 H new ATOM 0 HG13 ILE A 58 1.444 -3.857 -5.393 1.00 0.65 H new ATOM 0 HG21 ILE A 58 1.392 -3.091 -1.712 1.00 0.76 H new ATOM 0 HG22 ILE A 58 2.770 -1.970 -1.822 1.00 0.76 H new ATOM 0 HG23 ILE A 58 1.248 -1.595 -2.664 1.00 0.76 H new ATOM 0 HD11 ILE A 58 0.085 -5.594 -4.272 1.00 0.77 H new ATOM 0 HD12 ILE A 58 1.808 -5.798 -3.876 1.00 0.77 H new ATOM 0 HD13 ILE A 58 0.703 -5.065 -2.689 1.00 0.77 H new ATOM 894 N ILE A 59 5.111 -1.661 -3.169 1.00 0.42 N ATOM 895 CA ILE A 59 5.984 -0.773 -2.422 1.00 0.50 C ATOM 896 C ILE A 59 6.606 0.301 -3.329 1.00 0.50 C ATOM 897 O ILE A 59 6.547 1.476 -2.978 1.00 0.56 O ATOM 898 CB ILE A 59 7.008 -1.601 -1.636 1.00 0.65 C ATOM 899 CG1 ILE A 59 6.296 -2.381 -0.514 1.00 0.79 C ATOM 900 CG2 ILE A 59 8.072 -0.680 -1.042 1.00 0.85 C ATOM 901 CD1 ILE A 59 7.117 -3.580 -0.038 1.00 1.03 C ATOM 0 H ILE A 59 5.351 -2.649 -3.087 1.00 0.42 H new ATOM 0 HA ILE A 59 5.402 -0.213 -1.690 1.00 0.50 H new ATOM 0 HB ILE A 59 7.490 -2.310 -2.309 1.00 0.65 H new ATOM 0 HG12 ILE A 59 6.107 -1.714 0.327 1.00 0.79 H new ATOM 0 HG13 ILE A 59 5.326 -2.725 -0.872 1.00 0.79 H new ATOM 0 HG21 ILE A 59 8.797 -1.273 -0.485 1.00 0.85 H new ATOM 0 HG22 ILE A 59 8.581 -0.146 -1.845 1.00 0.85 H new ATOM 0 HG23 ILE A 59 7.599 0.038 -0.372 1.00 0.85 H new ATOM 0 HD11 ILE A 59 6.577 -4.100 0.753 1.00 1.03 H new ATOM 0 HD12 ILE A 59 7.283 -4.261 -0.872 1.00 1.03 H new ATOM 0 HD13 ILE A 59 8.077 -3.234 0.345 1.00 1.03 H new ATOM 913 N HIS A 60 7.146 -0.073 -4.498 1.00 0.51 N ATOM 914 CA HIS A 60 7.630 0.870 -5.504 1.00 0.57 C ATOM 915 C HIS A 60 6.573 1.934 -5.765 1.00 0.53 C ATOM 916 O HIS A 60 6.880 3.125 -5.832 1.00 0.63 O ATOM 917 CB HIS A 60 7.961 0.183 -6.843 1.00 0.72 C ATOM 918 CG HIS A 60 9.229 -0.624 -6.851 1.00 1.21 C ATOM 919 ND1 HIS A 60 9.347 -1.963 -7.148 1.00 2.50 N ATOM 920 CD2 HIS A 60 10.480 -0.151 -6.568 1.00 2.00 C ATOM 921 CE1 HIS A 60 10.635 -2.301 -6.979 1.00 3.26 C ATOM 922 NE2 HIS A 60 11.358 -1.242 -6.574 1.00 2.99 N ATOM 0 H HIS A 60 7.258 -1.050 -4.770 1.00 0.51 H new ATOM 0 HA HIS A 60 8.544 1.312 -5.107 1.00 0.57 H new ATOM 0 HB2 HIS A 60 7.131 -0.471 -7.113 1.00 0.72 H new ATOM 0 HB3 HIS A 60 8.030 0.947 -7.618 1.00 0.72 H new ATOM 0 HD2 HIS A 60 10.744 0.878 -6.375 1.00 2.00 H new ATOM 0 HE1 HIS A 60 11.036 -3.290 -7.146 1.00 3.26 H new ATOM 0 HE2 HIS A 60 12.346 -1.235 -6.322 1.00 2.99 H new ATOM 930 N THR A 61 5.319 1.502 -5.922 1.00 0.48 N ATOM 931 CA THR A 61 4.265 2.434 -6.257 1.00 0.59 C ATOM 932 C THR A 61 4.087 3.401 -5.090 1.00 0.69 C ATOM 933 O THR A 61 4.096 4.608 -5.307 1.00 0.84 O ATOM 934 CB THR A 61 2.979 1.695 -6.645 1.00 0.70 C ATOM 935 OG1 THR A 61 3.264 0.687 -7.597 1.00 0.86 O ATOM 936 CG2 THR A 61 1.980 2.671 -7.276 1.00 1.01 C ATOM 0 H THR A 61 5.023 0.531 -5.823 1.00 0.48 H new ATOM 0 HA THR A 61 4.534 3.018 -7.137 1.00 0.59 H new ATOM 0 HB THR A 61 2.557 1.253 -5.742 1.00 0.70 H new ATOM 0 HG1 THR A 61 3.752 -0.044 -7.163 1.00 0.86 H new ATOM 0 HG21 THR A 61 1.070 2.136 -7.548 1.00 1.01 H new ATOM 0 HG22 THR A 61 1.738 3.457 -6.561 1.00 1.01 H new ATOM 0 HG23 THR A 61 2.420 3.115 -8.169 1.00 1.01 H new ATOM 944 N ILE A 62 3.979 2.886 -3.857 1.00 0.67 N ATOM 945 CA ILE A 62 3.849 3.715 -2.663 1.00 0.83 C ATOM 946 C ILE A 62 4.979 4.739 -2.626 1.00 0.96 C ATOM 947 O ILE A 62 4.730 5.945 -2.596 1.00 1.17 O ATOM 948 CB ILE A 62 3.849 2.854 -1.377 1.00 0.68 C ATOM 949 CG1 ILE A 62 2.454 2.301 -1.048 1.00 0.69 C ATOM 950 CG2 ILE A 62 4.283 3.667 -0.140 1.00 0.87 C ATOM 951 CD1 ILE A 62 2.071 1.087 -1.882 1.00 1.64 C ATOM 0 H ILE A 62 3.980 1.884 -3.666 1.00 0.67 H new ATOM 0 HA ILE A 62 2.893 4.237 -2.706 1.00 0.83 H new ATOM 0 HB ILE A 62 4.550 2.045 -1.584 1.00 0.68 H new ATOM 0 HG12 ILE A 62 2.418 2.033 0.008 1.00 0.69 H new ATOM 0 HG13 ILE A 62 1.714 3.087 -1.203 1.00 0.69 H new ATOM 0 HG21 ILE A 62 4.269 3.025 0.741 1.00 0.87 H new ATOM 0 HG22 ILE A 62 5.291 4.052 -0.293 1.00 0.87 H new ATOM 0 HG23 ILE A 62 3.596 4.500 0.007 1.00 0.87 H new ATOM 0 HD11 ILE A 62 1.075 0.749 -1.597 1.00 1.64 H new ATOM 0 HD12 ILE A 62 2.075 1.355 -2.938 1.00 1.64 H new ATOM 0 HD13 ILE A 62 2.789 0.285 -1.709 1.00 1.64 H new ATOM 963 N GLU A 63 6.220 4.253 -2.563 1.00 0.89 N ATOM 964 CA GLU A 63 7.342 5.090 -2.191 1.00 1.21 C ATOM 965 C GLU A 63 7.495 6.246 -3.182 1.00 1.11 C ATOM 966 O GLU A 63 7.714 7.390 -2.779 1.00 1.27 O ATOM 967 CB GLU A 63 8.594 4.231 -1.940 1.00 1.52 C ATOM 968 CG GLU A 63 9.149 3.531 -3.184 1.00 1.57 C ATOM 969 CD GLU A 63 10.152 2.417 -2.883 1.00 1.25 C ATOM 970 OE1 GLU A 63 10.224 1.935 -1.731 1.00 1.88 O ATOM 971 OE2 GLU A 63 10.835 1.987 -3.836 1.00 2.15 O ATOM 0 H GLU A 63 6.465 3.284 -2.766 1.00 0.89 H new ATOM 0 HA GLU A 63 7.163 5.581 -1.235 1.00 1.21 H new ATOM 0 HB2 GLU A 63 9.374 4.864 -1.518 1.00 1.52 H new ATOM 0 HB3 GLU A 63 8.356 3.476 -1.191 1.00 1.52 H new ATOM 0 HG2 GLU A 63 8.318 3.112 -3.752 1.00 1.57 H new ATOM 0 HG3 GLU A 63 9.629 4.274 -3.821 1.00 1.57 H new ATOM 978 N SER A 64 7.253 5.963 -4.467 1.00 0.99 N ATOM 979 CA SER A 64 7.300 6.948 -5.536 1.00 1.06 C ATOM 980 C SER A 64 6.410 8.166 -5.273 1.00 1.07 C ATOM 981 O SER A 64 6.752 9.263 -5.710 1.00 1.21 O ATOM 982 CB SER A 64 6.918 6.299 -6.869 1.00 1.07 C ATOM 983 OG SER A 64 7.840 5.284 -7.208 1.00 1.84 O ATOM 0 H SER A 64 7.016 5.025 -4.791 1.00 0.99 H new ATOM 0 HA SER A 64 8.327 7.312 -5.579 1.00 1.06 H new ATOM 0 HB2 SER A 64 5.915 5.879 -6.801 1.00 1.07 H new ATOM 0 HB3 SER A 64 6.895 7.054 -7.654 1.00 1.07 H new ATOM 0 HG SER A 64 7.520 4.423 -6.866 1.00 1.84 H new ATOM 989 N LEU A 65 5.256 8.006 -4.611 1.00 1.02 N ATOM 990 CA LEU A 65 4.354 9.131 -4.418 1.00 1.03 C ATOM 991 C LEU A 65 4.989 10.212 -3.540 1.00 1.28 C ATOM 992 O LEU A 65 4.991 11.387 -3.912 1.00 1.86 O ATOM 993 CB LEU A 65 3.036 8.674 -3.790 1.00 1.06 C ATOM 994 CG LEU A 65 1.938 8.180 -4.739 1.00 1.13 C ATOM 995 CD1 LEU A 65 1.611 9.151 -5.879 1.00 2.37 C ATOM 996 CD2 LEU A 65 2.224 6.797 -5.308 1.00 1.67 C ATOM 0 H LEU A 65 4.936 7.124 -4.210 1.00 1.02 H new ATOM 0 HA LEU A 65 4.154 9.554 -5.402 1.00 1.03 H new ATOM 0 HB2 LEU A 65 3.258 7.873 -3.085 1.00 1.06 H new ATOM 0 HB3 LEU A 65 2.633 9.505 -3.211 1.00 1.06 H new ATOM 0 HG LEU A 65 1.055 8.119 -4.102 1.00 1.13 H new ATOM 0 HD11 LEU A 65 0.825 8.727 -6.504 1.00 2.37 H new ATOM 0 HD12 LEU A 65 1.271 10.099 -5.463 1.00 2.37 H new ATOM 0 HD13 LEU A 65 2.504 9.318 -6.482 1.00 2.37 H new ATOM 0 HD21 LEU A 65 1.412 6.502 -5.972 1.00 1.67 H new ATOM 0 HD22 LEU A 65 3.160 6.820 -5.867 1.00 1.67 H new ATOM 0 HD23 LEU A 65 2.306 6.078 -4.493 1.00 1.67 H new ATOM 1008 N GLY A 66 5.354 9.892 -2.300 1.00 1.04 N ATOM 1009 CA GLY A 66 6.213 10.769 -1.511 1.00 1.13 C ATOM 1010 C GLY A 66 6.845 10.063 -0.315 1.00 0.90 C ATOM 1011 O GLY A 66 7.098 10.722 0.692 1.00 1.01 O ATOM 0 H GLY A 66 5.070 9.036 -1.823 1.00 1.04 H new ATOM 0 HA2 GLY A 66 7.002 11.167 -2.150 1.00 1.13 H new ATOM 0 HA3 GLY A 66 5.629 11.619 -1.158 1.00 1.13 H new ATOM 1015 N PHE A 67 6.960 8.733 -0.347 1.00 0.77 N ATOM 1016 CA PHE A 67 6.778 7.943 0.869 1.00 0.62 C ATOM 1017 C PHE A 67 7.854 6.880 1.058 1.00 0.76 C ATOM 1018 O PHE A 67 8.716 6.692 0.205 1.00 1.15 O ATOM 1019 CB PHE A 67 5.369 7.324 0.848 1.00 0.54 C ATOM 1020 CG PHE A 67 4.238 8.316 0.636 1.00 0.49 C ATOM 1021 CD1 PHE A 67 4.205 9.522 1.363 1.00 2.03 C ATOM 1022 CD2 PHE A 67 3.223 8.044 -0.298 1.00 2.02 C ATOM 1023 CE1 PHE A 67 3.195 10.467 1.125 1.00 2.06 C ATOM 1024 CE2 PHE A 67 2.196 8.979 -0.515 1.00 2.07 C ATOM 1025 CZ PHE A 67 2.181 10.188 0.198 1.00 0.72 C ATOM 0 H PHE A 67 7.174 8.191 -1.184 1.00 0.77 H new ATOM 0 HA PHE A 67 6.879 8.608 1.727 1.00 0.62 H new ATOM 0 HB2 PHE A 67 5.329 6.575 0.057 1.00 0.54 H new ATOM 0 HB3 PHE A 67 5.203 6.802 1.790 1.00 0.54 H new ATOM 0 HD1 PHE A 67 4.961 9.721 2.108 1.00 2.03 H new ATOM 0 HD2 PHE A 67 3.232 7.115 -0.849 1.00 2.02 H new ATOM 0 HE1 PHE A 67 3.199 11.408 1.655 1.00 2.06 H new ATOM 0 HE2 PHE A 67 1.417 8.767 -1.232 1.00 2.07 H new ATOM 0 HZ PHE A 67 1.389 10.903 0.033 1.00 0.72 H new ATOM 1035 N GLU A 68 7.773 6.179 2.190 1.00 0.62 N ATOM 1036 CA GLU A 68 8.516 4.963 2.464 1.00 0.72 C ATOM 1037 C GLU A 68 7.506 3.923 2.931 1.00 0.69 C ATOM 1038 O GLU A 68 6.429 4.290 3.414 1.00 0.86 O ATOM 1039 CB GLU A 68 9.515 5.187 3.599 1.00 0.85 C ATOM 1040 CG GLU A 68 10.582 6.259 3.351 1.00 2.13 C ATOM 1041 CD GLU A 68 11.433 6.422 4.602 1.00 2.55 C ATOM 1042 OE1 GLU A 68 11.442 5.489 5.432 1.00 2.45 O ATOM 1043 OE2 GLU A 68 11.990 7.512 4.844 1.00 3.83 O ATOM 0 H GLU A 68 7.167 6.457 2.962 1.00 0.62 H new ATOM 0 HA GLU A 68 9.057 4.650 1.571 1.00 0.72 H new ATOM 0 HB2 GLU A 68 8.960 5.456 4.498 1.00 0.85 H new ATOM 0 HB3 GLU A 68 10.018 4.242 3.806 1.00 0.85 H new ATOM 0 HG2 GLU A 68 11.209 5.976 2.506 1.00 2.13 H new ATOM 0 HG3 GLU A 68 10.109 7.207 3.093 1.00 2.13 H new ATOM 1050 N ALA A 69 7.875 2.642 2.848 1.00 0.64 N ATOM 1051 CA ALA A 69 7.097 1.555 3.419 1.00 0.65 C ATOM 1052 C ALA A 69 8.011 0.545 4.107 1.00 0.70 C ATOM 1053 O ALA A 69 9.218 0.530 3.871 1.00 0.92 O ATOM 1054 CB ALA A 69 6.278 0.870 2.323 1.00 0.89 C ATOM 0 H ALA A 69 8.727 2.335 2.379 1.00 0.64 H new ATOM 0 HA ALA A 69 6.417 1.965 4.166 1.00 0.65 H new ATOM 0 HB1 ALA A 69 5.697 0.056 2.758 1.00 0.89 H new ATOM 0 HB2 ALA A 69 5.603 1.594 1.867 1.00 0.89 H new ATOM 0 HB3 ALA A 69 6.949 0.471 1.563 1.00 0.89 H new ATOM 1060 N SER A 70 7.422 -0.303 4.950 1.00 0.66 N ATOM 1061 CA SER A 70 8.081 -1.418 5.610 1.00 0.80 C ATOM 1062 C SER A 70 7.012 -2.455 5.953 1.00 0.76 C ATOM 1063 O SER A 70 5.835 -2.233 5.682 1.00 1.17 O ATOM 1064 CB SER A 70 8.845 -0.948 6.852 1.00 0.94 C ATOM 1065 OG SER A 70 9.652 -2.004 7.336 1.00 1.94 O ATOM 0 H SER A 70 6.436 -0.225 5.198 1.00 0.66 H new ATOM 0 HA SER A 70 8.824 -1.867 4.950 1.00 0.80 H new ATOM 0 HB2 SER A 70 9.465 -0.086 6.606 1.00 0.94 H new ATOM 0 HB3 SER A 70 8.145 -0.628 7.624 1.00 0.94 H new ATOM 0 HG SER A 70 10.142 -1.704 8.130 1.00 1.94 H new ATOM 1071 N LEU A 71 7.416 -3.588 6.524 1.00 1.33 N ATOM 1072 CA LEU A 71 6.525 -4.673 6.911 1.00 1.35 C ATOM 1073 C LEU A 71 6.669 -4.927 8.410 1.00 1.43 C ATOM 1074 O LEU A 71 7.764 -4.799 8.953 1.00 2.06 O ATOM 1075 CB LEU A 71 6.786 -5.939 6.076 1.00 1.41 C ATOM 1076 CG LEU A 71 8.216 -6.515 6.146 1.00 2.35 C ATOM 1077 CD1 LEU A 71 8.166 -8.017 5.846 1.00 2.61 C ATOM 1078 CD2 LEU A 71 9.167 -5.855 5.136 1.00 3.17 C ATOM 0 H LEU A 71 8.396 -3.779 6.734 1.00 1.33 H new ATOM 0 HA LEU A 71 5.494 -4.386 6.707 1.00 1.35 H new ATOM 0 HB2 LEU A 71 6.088 -6.712 6.398 1.00 1.41 H new ATOM 0 HB3 LEU A 71 6.556 -5.716 5.034 1.00 1.41 H new ATOM 0 HG LEU A 71 8.596 -6.317 7.148 1.00 2.35 H new ATOM 0 HD11 LEU A 71 9.173 -8.431 5.894 1.00 2.61 H new ATOM 0 HD12 LEU A 71 7.534 -8.514 6.582 1.00 2.61 H new ATOM 0 HD13 LEU A 71 7.755 -8.175 4.849 1.00 2.61 H new ATOM 0 HD21 LEU A 71 10.159 -6.297 5.228 1.00 3.17 H new ATOM 0 HD22 LEU A 71 8.791 -6.013 4.125 1.00 3.17 H new ATOM 0 HD23 LEU A 71 9.226 -4.785 5.337 1.00 3.17 H new