USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 553 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 15 CYS SG : rot -164:sc= -0.24 USER MOD Set 1.2: A 59 TYR OH : rot -115:sc= -0.0367 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.29 (180deg=1.19) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -179:sc= 0 (180deg=-0.00242) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.011) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0557 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.17) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 46 ASN : amide:sc= -0.785 K(o=-0.78,f=-3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -115:sc= -0.163 (180deg=-0.427!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 22:sc= 0.0555 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.110 2.927 3.606 1.00 0.00 N ATOM 2 CA MET A 1 13.287 3.807 2.764 1.00 0.00 C ATOM 3 C MET A 1 11.835 3.457 2.996 1.00 0.00 C ATOM 4 O MET A 1 11.522 2.310 3.324 1.00 0.00 O ATOM 5 CB MET A 1 13.665 3.697 1.280 1.00 0.00 C ATOM 6 CG MET A 1 15.002 4.387 0.989 1.00 0.00 C ATOM 7 SD MET A 1 16.464 3.802 1.907 1.00 0.00 S ATOM 8 CE MET A 1 16.716 2.163 1.186 1.00 0.00 C ATOM 0 H1 MET A 1 15.096 2.953 3.275 1.00 0.00 H new ATOM 0 H2 MET A 1 14.067 3.252 4.593 1.00 0.00 H new ATOM 0 H3 MET A 1 13.750 1.953 3.546 1.00 0.00 H new ATOM 0 HA MET A 1 13.465 4.846 3.041 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.727 2.646 0.996 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.882 4.146 0.670 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.210 4.284 -0.076 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.882 5.452 1.189 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.579 1.688 1.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.830 1.551 1.354 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.892 2.260 0.115 1.00 0.00 H new ATOM 18 N ARG A 2 10.933 4.425 2.863 1.00 0.00 N ATOM 19 CA ARG A 2 9.501 4.165 2.846 1.00 0.00 C ATOM 20 C ARG A 2 8.855 4.985 1.745 1.00 0.00 C ATOM 21 O ARG A 2 9.493 5.876 1.187 1.00 0.00 O ATOM 22 CB ARG A 2 8.881 4.391 4.230 1.00 0.00 C ATOM 23 CG ARG A 2 8.973 5.850 4.676 1.00 0.00 C ATOM 24 CD ARG A 2 8.487 6.068 6.097 1.00 0.00 C ATOM 25 NE ARG A 2 9.270 5.301 7.067 1.00 0.00 N ATOM 26 CZ ARG A 2 10.501 5.589 7.509 1.00 0.00 C ATOM 27 NH1 ARG A 2 11.169 6.656 7.066 1.00 0.00 N ATOM 28 NH2 ARG A 2 11.053 4.785 8.405 1.00 0.00 N ATOM 0 H ARG A 2 11.176 5.411 2.764 1.00 0.00 H new ATOM 0 HA ARG A 2 9.315 3.116 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.835 4.084 4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.386 3.758 4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.008 6.184 4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.385 6.469 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.545 7.129 6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.438 5.781 6.170 1.00 0.00 H new ATOM 0 HE ARG A 2 8.833 4.461 7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.743 7.274 6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.106 6.854 7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.542 3.969 8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.990 4.981 8.758 1.00 0.00 H new ATOM 42 N TYR A 3 7.605 4.665 1.413 1.00 0.00 N ATOM 43 CA TYR A 3 6.970 5.211 0.225 1.00 0.00 C ATOM 44 C TYR A 3 5.499 5.512 0.505 1.00 0.00 C ATOM 45 O TYR A 3 4.771 4.624 0.950 1.00 0.00 O ATOM 46 CB TYR A 3 7.156 4.246 -0.953 1.00 0.00 C ATOM 47 CG TYR A 3 8.602 3.840 -1.213 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.430 4.630 -2.038 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.124 2.674 -0.611 1.00 0.00 C ATOM 50 CE1 TYR A 3 10.738 4.202 -2.338 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.449 2.277 -0.863 1.00 0.00 C ATOM 52 CZ TYR A 3 11.245 3.017 -1.761 1.00 0.00 C ATOM 53 OH TYR A 3 12.484 2.563 -2.085 1.00 0.00 O ATOM 0 H TYR A 3 7.016 4.030 1.953 1.00 0.00 H new ATOM 0 HA TYR A 3 7.443 6.155 -0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.567 3.348 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.754 4.710 -1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.061 5.562 -2.439 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.502 2.084 0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.354 4.781 -3.010 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.856 1.407 -0.370 1.00 0.00 H new ATOM 0 HH TYR A 3 12.669 1.736 -1.593 1.00 0.00 H new ATOM 63 N VAL A 4 5.059 6.755 0.276 1.00 0.00 N ATOM 64 CA VAL A 4 3.679 7.209 0.494 1.00 0.00 C ATOM 65 C VAL A 4 2.845 6.902 -0.750 1.00 0.00 C ATOM 66 O VAL A 4 2.690 7.756 -1.623 1.00 0.00 O ATOM 67 CB VAL A 4 3.614 8.722 0.833 1.00 0.00 C ATOM 68 CG1 VAL A 4 2.255 9.109 1.416 1.00 0.00 C ATOM 69 CG2 VAL A 4 4.673 9.163 1.836 1.00 0.00 C ATOM 0 H VAL A 4 5.669 7.493 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 4 3.273 6.673 1.352 1.00 0.00 H new ATOM 0 HB VAL A 4 3.790 9.223 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.246 10.175 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.471 8.884 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.077 8.543 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.570 10.231 2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.543 8.613 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.664 8.961 1.431 1.00 0.00 H new ATOM 79 N LEU A 5 2.323 5.685 -0.871 1.00 0.00 N ATOM 80 CA LEU A 5 1.535 5.285 -2.043 1.00 0.00 C ATOM 81 C LEU A 5 0.155 5.950 -2.010 1.00 0.00 C ATOM 82 O LEU A 5 -0.409 6.117 -0.928 1.00 0.00 O ATOM 83 CB LEU A 5 1.308 3.772 -2.068 1.00 0.00 C ATOM 84 CG LEU A 5 2.497 2.864 -1.724 1.00 0.00 C ATOM 85 CD1 LEU A 5 2.054 1.411 -1.892 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.716 3.137 -2.599 1.00 0.00 C ATOM 0 H LEU A 5 2.430 4.952 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 5 2.097 5.595 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.500 3.543 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.958 3.502 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 5 2.797 3.068 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.885 0.747 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.220 1.205 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.741 1.243 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.527 2.467 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.458 2.969 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.035 4.171 -2.466 1.00 0.00 H new ATOM 98 N TYR A 6 -0.436 6.253 -3.167 1.00 0.00 N ATOM 99 CA TYR A 6 -1.786 6.795 -3.308 1.00 0.00 C ATOM 100 C TYR A 6 -2.676 5.725 -3.929 1.00 0.00 C ATOM 101 O TYR A 6 -2.559 5.436 -5.124 1.00 0.00 O ATOM 102 CB TYR A 6 -1.753 8.078 -4.152 1.00 0.00 C ATOM 103 CG TYR A 6 -3.003 8.944 -4.116 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.661 9.210 -2.896 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.444 9.590 -5.289 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.719 10.131 -2.840 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.488 10.531 -5.232 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.118 10.827 -4.001 1.00 0.00 C ATOM 109 OH TYR A 6 -6.057 11.811 -3.921 1.00 0.00 O ATOM 0 H TYR A 6 0.031 6.122 -4.064 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.195 7.064 -2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.909 8.683 -3.821 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.560 7.800 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.348 8.700 -1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.978 9.361 -6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.230 10.308 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.810 11.030 -6.134 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.213 12.187 -4.812 1.00 0.00 H new ATOM 119 N VAL A 7 -3.521 5.106 -3.108 1.00 0.00 N ATOM 120 CA VAL A 7 -4.368 3.976 -3.486 1.00 0.00 C ATOM 121 C VAL A 7 -5.847 4.393 -3.323 1.00 0.00 C ATOM 122 O VAL A 7 -6.444 4.110 -2.283 1.00 0.00 O ATOM 123 CB VAL A 7 -3.960 2.729 -2.666 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.559 1.430 -3.244 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.430 2.567 -2.566 1.00 0.00 C ATOM 0 H VAL A 7 -3.639 5.384 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.235 3.699 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.365 2.897 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.245 0.582 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.647 1.497 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.209 1.292 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.196 1.678 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.009 2.465 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.002 3.444 -2.080 1.00 0.00 H new ATOM 135 N PRO A 8 -6.463 5.069 -4.314 1.00 0.00 N ATOM 136 CA PRO A 8 -7.862 5.519 -4.259 1.00 0.00 C ATOM 137 C PRO A 8 -8.870 4.377 -4.082 1.00 0.00 C ATOM 138 O PRO A 8 -9.966 4.620 -3.575 1.00 0.00 O ATOM 139 CB PRO A 8 -8.101 6.281 -5.571 1.00 0.00 C ATOM 140 CG PRO A 8 -7.014 5.754 -6.506 1.00 0.00 C ATOM 141 CD PRO A 8 -5.850 5.492 -5.564 1.00 0.00 C ATOM 0 HA PRO A 8 -8.018 6.146 -3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.098 6.089 -5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.017 7.358 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.329 4.846 -7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.755 6.482 -7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.188 4.721 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.247 6.389 -5.424 1.00 0.00 H new ATOM 149 N ASP A 9 -8.516 3.129 -4.420 1.00 0.00 N ATOM 150 CA ASP A 9 -9.396 1.974 -4.203 1.00 0.00 C ATOM 151 C ASP A 9 -9.677 1.751 -2.719 1.00 0.00 C ATOM 152 O ASP A 9 -10.711 1.177 -2.359 1.00 0.00 O ATOM 153 CB ASP A 9 -8.791 0.696 -4.796 1.00 0.00 C ATOM 154 CG ASP A 9 -9.004 0.616 -6.302 1.00 0.00 C ATOM 155 OD1 ASP A 9 -8.133 1.142 -7.031 1.00 0.00 O ATOM 156 OD2 ASP A 9 -10.021 0.009 -6.716 1.00 0.00 O ATOM 0 H ASP A 9 -7.620 2.894 -4.847 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.335 2.198 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.724 0.664 -4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.241 -0.175 -4.318 1.00 0.00 H new ATOM 161 N ILE A 10 -8.821 2.278 -1.835 1.00 0.00 N ATOM 162 CA ILE A 10 -9.010 2.241 -0.389 1.00 0.00 C ATOM 163 C ILE A 10 -10.040 3.295 0.050 1.00 0.00 C ATOM 164 O ILE A 10 -9.994 3.776 1.176 1.00 0.00 O ATOM 165 CB ILE A 10 -7.676 2.334 0.391 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.583 1.509 -0.303 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.835 1.736 1.811 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.246 1.494 0.440 1.00 0.00 C ATOM 0 H ILE A 10 -7.962 2.750 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.418 1.263 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.405 3.389 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.934 0.484 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.425 1.906 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.888 1.810 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.602 2.288 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.128 0.689 1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.528 0.890 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.869 2.513 0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.387 1.068 1.434 1.00 0.00 H new ATOM 180 N SER A 11 -10.987 3.669 -0.810 1.00 0.00 N ATOM 181 CA SER A 11 -12.080 4.543 -0.431 1.00 0.00 C ATOM 182 C SER A 11 -12.941 3.934 0.690 1.00 0.00 C ATOM 183 O SER A 11 -13.629 4.685 1.385 1.00 0.00 O ATOM 184 CB SER A 11 -12.905 4.869 -1.674 1.00 0.00 C ATOM 185 OG SER A 11 -13.582 6.097 -1.504 1.00 0.00 O ATOM 0 H SER A 11 -11.012 3.372 -1.785 1.00 0.00 H new ATOM 0 HA SER A 11 -11.673 5.468 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.255 4.922 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.625 4.072 -1.861 1.00 0.00 H new ATOM 0 HG SER A 11 -14.106 6.296 -2.308 1.00 0.00 H new ATOM 191 N CYS A 12 -12.891 2.610 0.913 1.00 0.00 N ATOM 192 CA CYS A 12 -13.716 1.917 1.904 1.00 0.00 C ATOM 193 C CYS A 12 -12.901 1.084 2.897 1.00 0.00 C ATOM 194 O CYS A 12 -11.794 0.628 2.608 1.00 0.00 O ATOM 195 CB CYS A 12 -14.731 1.037 1.166 1.00 0.00 C ATOM 196 SG CYS A 12 -16.026 2.081 0.455 1.00 0.00 S ATOM 0 H CYS A 12 -12.267 1.987 0.401 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.225 2.673 2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.233 0.470 0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.169 0.313 1.853 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.887 1.337 -0.174 1.00 0.00 H new ATOM 202 N ASN A 13 -13.476 0.853 4.081 1.00 0.00 N ATOM 203 CA ASN A 13 -12.789 0.227 5.211 1.00 0.00 C ATOM 204 C ASN A 13 -12.456 -1.246 4.971 1.00 0.00 C ATOM 205 O ASN A 13 -11.444 -1.728 5.468 1.00 0.00 O ATOM 206 CB ASN A 13 -13.629 0.382 6.484 1.00 0.00 C ATOM 207 CG ASN A 13 -12.891 -0.162 7.701 1.00 0.00 C ATOM 208 OD1 ASN A 13 -11.749 0.208 7.969 1.00 0.00 O ATOM 209 ND2 ASN A 13 -13.510 -1.035 8.476 1.00 0.00 N ATOM 0 H ASN A 13 -14.445 1.100 4.283 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.837 0.744 5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.867 1.434 6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.576 -0.144 6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.041 -1.406 9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.457 -1.338 8.248 1.00 0.00 H new ATOM 216 N HIS A 14 -13.241 -1.971 4.168 1.00 0.00 N ATOM 217 CA HIS A 14 -12.842 -3.311 3.732 1.00 0.00 C ATOM 218 C HIS A 14 -11.577 -3.256 2.890 1.00 0.00 C ATOM 219 O HIS A 14 -10.680 -4.085 3.044 1.00 0.00 O ATOM 220 CB HIS A 14 -13.959 -3.959 2.921 1.00 0.00 C ATOM 221 CG HIS A 14 -13.600 -5.341 2.430 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.374 -5.712 1.121 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.361 -6.433 3.219 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.039 -7.012 1.119 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.006 -7.493 2.378 1.00 0.00 N ATOM 0 H HIS A 14 -14.144 -1.658 3.811 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.646 -3.907 4.624 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.859 -4.018 3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.196 -3.325 2.067 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.433 -6.470 4.296 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.826 -7.591 0.233 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.769 -8.444 2.662 1.00 0.00 H new ATOM 233 N CYS A 15 -11.501 -2.263 2.007 1.00 0.00 N ATOM 234 CA CYS A 15 -10.392 -2.110 1.099 1.00 0.00 C ATOM 235 C CYS A 15 -9.081 -1.957 1.874 1.00 0.00 C ATOM 236 O CYS A 15 -8.069 -2.492 1.438 1.00 0.00 O ATOM 237 CB CYS A 15 -10.660 -0.942 0.155 1.00 0.00 C ATOM 238 SG CYS A 15 -12.276 -1.088 -0.654 1.00 0.00 S ATOM 0 H CYS A 15 -12.217 -1.543 1.909 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.287 -3.007 0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.616 -0.006 0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.877 -0.899 -0.602 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.320 -0.292 -1.681 1.00 0.00 H new ATOM 244 N LYS A 16 -9.096 -1.324 3.058 1.00 0.00 N ATOM 245 CA LYS A 16 -7.940 -1.236 3.960 1.00 0.00 C ATOM 246 C LYS A 16 -7.289 -2.610 4.158 1.00 0.00 C ATOM 247 O LYS A 16 -6.088 -2.756 3.931 1.00 0.00 O ATOM 248 CB LYS A 16 -8.372 -0.572 5.275 1.00 0.00 C ATOM 249 CG LYS A 16 -7.233 -0.362 6.287 1.00 0.00 C ATOM 250 CD LYS A 16 -7.363 1.010 6.965 1.00 0.00 C ATOM 251 CE LYS A 16 -6.548 1.107 8.255 1.00 0.00 C ATOM 252 NZ LYS A 16 -7.359 0.780 9.447 1.00 0.00 N ATOM 0 H LYS A 16 -9.925 -0.852 3.420 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.168 -0.608 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.823 0.394 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.146 -1.184 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.257 -1.150 7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.271 -0.434 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.035 1.786 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.412 1.204 7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.697 0.429 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.146 2.115 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.769 0.858 10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.157 1.443 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.722 -0.191 9.364 1.00 0.00 H new ATOM 266 N MET A 17 -8.086 -3.624 4.510 1.00 0.00 N ATOM 267 CA MET A 17 -7.620 -4.988 4.738 1.00 0.00 C ATOM 268 C MET A 17 -6.921 -5.580 3.519 1.00 0.00 C ATOM 269 O MET A 17 -5.935 -6.298 3.682 1.00 0.00 O ATOM 270 CB MET A 17 -8.803 -5.908 5.101 1.00 0.00 C ATOM 271 CG MET A 17 -8.622 -6.610 6.452 1.00 0.00 C ATOM 272 SD MET A 17 -9.033 -8.377 6.469 1.00 0.00 S ATOM 273 CE MET A 17 -10.781 -8.329 5.986 1.00 0.00 C ATOM 0 H MET A 17 -9.091 -3.514 4.646 1.00 0.00 H new ATOM 0 HA MET A 17 -6.905 -4.931 5.558 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.720 -5.320 5.123 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.925 -6.659 4.321 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.586 -6.492 6.768 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.241 -6.103 7.192 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.182 -9.342 5.969 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.341 -7.729 6.704 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.872 -7.886 4.994 1.00 0.00 H new ATOM 283 N ARG A 18 -7.434 -5.316 2.307 1.00 0.00 N ATOM 284 CA ARG A 18 -6.968 -5.993 1.092 1.00 0.00 C ATOM 285 C ARG A 18 -5.474 -5.759 0.914 1.00 0.00 C ATOM 286 O ARG A 18 -4.742 -6.659 0.507 1.00 0.00 O ATOM 287 CB ARG A 18 -7.764 -5.546 -0.137 1.00 0.00 C ATOM 288 CG ARG A 18 -9.250 -5.907 0.011 1.00 0.00 C ATOM 289 CD ARG A 18 -9.818 -6.548 -1.252 1.00 0.00 C ATOM 290 NE ARG A 18 -9.588 -8.004 -1.320 1.00 0.00 N ATOM 291 CZ ARG A 18 -8.895 -8.663 -2.261 1.00 0.00 C ATOM 292 NH1 ARG A 18 -8.215 -8.020 -3.202 1.00 0.00 N ATOM 293 NH2 ARG A 18 -8.867 -9.986 -2.302 1.00 0.00 N ATOM 0 H ARG A 18 -8.175 -4.634 2.145 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.138 -7.064 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.659 -4.469 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.358 -6.020 -1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.374 -6.591 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.819 -5.007 0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.889 -6.354 -1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.369 -6.075 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.998 -8.567 -0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.211 -7.000 -3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.696 -8.546 -3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.380 -10.529 -1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.332 -10.463 -3.028 1.00 0.00 H new ATOM 307 N ILE A 19 -5.021 -4.557 1.262 1.00 0.00 N ATOM 308 CA ILE A 19 -3.625 -4.190 1.228 1.00 0.00 C ATOM 309 C ILE A 19 -2.915 -4.897 2.367 1.00 0.00 C ATOM 310 O ILE A 19 -2.083 -5.752 2.083 1.00 0.00 O ATOM 311 CB ILE A 19 -3.458 -2.663 1.251 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.030 -2.069 -0.042 1.00 0.00 C ATOM 313 CG2 ILE A 19 -1.976 -2.284 1.337 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.518 -1.797 0.013 1.00 0.00 C ATOM 0 H ILE A 19 -5.632 -3.804 1.580 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.164 -4.514 0.295 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.985 -2.273 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.509 -1.138 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.826 -2.753 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.878 -1.198 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.546 -2.700 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.447 -2.684 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.847 -1.378 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.051 -2.728 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.729 -1.088 0.814 1.00 0.00 H new ATOM 326 N SER A 20 -3.195 -4.555 3.631 1.00 0.00 N ATOM 327 CA SER A 20 -2.429 -5.049 4.758 1.00 0.00 C ATOM 328 C SER A 20 -2.236 -6.553 4.740 1.00 0.00 C ATOM 329 O SER A 20 -1.121 -7.020 4.940 1.00 0.00 O ATOM 330 CB SER A 20 -3.095 -4.645 6.061 1.00 0.00 C ATOM 331 OG SER A 20 -3.689 -3.355 5.999 1.00 0.00 O ATOM 0 H SER A 20 -3.958 -3.930 3.890 1.00 0.00 H new ATOM 0 HA SER A 20 -1.441 -4.596 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.859 -5.380 6.317 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.356 -4.662 6.862 1.00 0.00 H new ATOM 0 HG SER A 20 -4.105 -3.144 6.861 1.00 0.00 H new ATOM 337 N LYS A 21 -3.299 -7.296 4.437 1.00 0.00 N ATOM 338 CA LYS A 21 -3.247 -8.740 4.421 1.00 0.00 C ATOM 339 C LYS A 21 -2.169 -9.229 3.448 1.00 0.00 C ATOM 340 O LYS A 21 -1.357 -10.074 3.810 1.00 0.00 O ATOM 341 CB LYS A 21 -4.638 -9.259 4.067 1.00 0.00 C ATOM 342 CG LYS A 21 -4.769 -10.756 4.339 1.00 0.00 C ATOM 343 CD LYS A 21 -6.187 -11.160 3.952 1.00 0.00 C ATOM 344 CE LYS A 21 -6.453 -12.620 4.302 1.00 0.00 C ATOM 345 NZ LYS A 21 -7.867 -12.951 4.063 1.00 0.00 N ATOM 0 H LYS A 21 -4.212 -6.908 4.198 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.968 -9.129 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.386 -8.717 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.843 -9.061 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.037 -11.318 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.580 -10.974 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.905 -10.522 4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.334 -11.006 2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.814 -13.268 3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.201 -12.803 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.036 -13.948 4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.470 -12.344 4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.095 -12.795 3.061 1.00 0.00 H new ATOM 359 N ALA A 22 -2.142 -8.669 2.234 1.00 0.00 N ATOM 360 CA ALA A 22 -1.136 -8.967 1.224 1.00 0.00 C ATOM 361 C ALA A 22 0.244 -8.442 1.633 1.00 0.00 C ATOM 362 O ALA A 22 1.247 -9.076 1.315 1.00 0.00 O ATOM 363 CB ALA A 22 -1.564 -8.343 -0.114 1.00 0.00 C ATOM 0 H ALA A 22 -2.833 -7.985 1.926 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.058 -10.049 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.814 -8.563 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.524 -8.760 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.658 -7.263 0.002 1.00 0.00 H new ATOM 369 N LEU A 23 0.327 -7.291 2.312 1.00 0.00 N ATOM 370 CA LEU A 23 1.594 -6.713 2.760 1.00 0.00 C ATOM 371 C LEU A 23 2.277 -7.616 3.790 1.00 0.00 C ATOM 372 O LEU A 23 3.495 -7.794 3.765 1.00 0.00 O ATOM 373 CB LEU A 23 1.402 -5.316 3.367 1.00 0.00 C ATOM 374 CG LEU A 23 0.957 -4.199 2.413 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.949 -2.875 3.181 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.849 -4.051 1.177 1.00 0.00 C ATOM 0 H LEU A 23 -0.489 -6.734 2.566 1.00 0.00 H new ATOM 0 HA LEU A 23 2.226 -6.626 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.666 -5.392 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.343 -5.014 3.827 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.036 -4.467 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.635 -2.071 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.256 -2.945 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.951 -2.665 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.472 -3.243 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.868 -3.823 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.843 -4.982 0.610 1.00 0.00 H new ATOM 388 N GLU A 24 1.506 -8.181 4.711 1.00 0.00 N ATOM 389 CA GLU A 24 2.016 -9.083 5.737 1.00 0.00 C ATOM 390 C GLU A 24 2.714 -10.279 5.079 1.00 0.00 C ATOM 391 O GLU A 24 3.812 -10.654 5.497 1.00 0.00 O ATOM 392 CB GLU A 24 0.866 -9.526 6.653 1.00 0.00 C ATOM 393 CG GLU A 24 0.238 -8.336 7.398 1.00 0.00 C ATOM 394 CD GLU A 24 0.559 -8.305 8.887 1.00 0.00 C ATOM 395 OE1 GLU A 24 1.732 -8.080 9.263 1.00 0.00 O ATOM 396 OE2 GLU A 24 -0.415 -8.347 9.674 1.00 0.00 O ATOM 0 H GLU A 24 0.500 -8.025 4.767 1.00 0.00 H new ATOM 0 HA GLU A 24 2.754 -8.567 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.102 -10.028 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.237 -10.253 7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.585 -7.409 6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.844 -8.369 7.270 1.00 0.00 H new ATOM 403 N GLU A 25 2.131 -10.828 4.006 1.00 0.00 N ATOM 404 CA GLU A 25 2.646 -11.990 3.280 1.00 0.00 C ATOM 405 C GLU A 25 3.748 -11.582 2.289 1.00 0.00 C ATOM 406 O GLU A 25 4.649 -12.373 1.997 1.00 0.00 O ATOM 407 CB GLU A 25 1.490 -12.736 2.580 1.00 0.00 C ATOM 408 CG GLU A 25 0.419 -13.185 3.593 1.00 0.00 C ATOM 409 CD GLU A 25 -0.545 -14.249 3.057 1.00 0.00 C ATOM 410 OE1 GLU A 25 -0.266 -15.459 3.220 1.00 0.00 O ATOM 411 OE2 GLU A 25 -1.649 -13.911 2.561 1.00 0.00 O ATOM 0 H GLU A 25 1.264 -10.464 3.610 1.00 0.00 H new ATOM 0 HA GLU A 25 3.102 -12.674 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.036 -12.087 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.882 -13.606 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.916 -13.575 4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.157 -12.314 3.906 1.00 0.00 H new ATOM 418 N LEU A 26 3.764 -10.322 1.838 1.00 0.00 N ATOM 419 CA LEU A 26 4.880 -9.656 1.183 1.00 0.00 C ATOM 420 C LEU A 26 6.051 -9.481 2.166 1.00 0.00 C ATOM 421 O LEU A 26 7.180 -9.208 1.761 1.00 0.00 O ATOM 422 CB LEU A 26 4.334 -8.322 0.644 1.00 0.00 C ATOM 423 CG LEU A 26 5.320 -7.367 -0.019 1.00 0.00 C ATOM 424 CD1 LEU A 26 5.983 -7.894 -1.291 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.589 -6.071 -0.374 1.00 0.00 C ATOM 0 H LEU A 26 2.951 -9.713 1.929 1.00 0.00 H new ATOM 0 HA LEU A 26 5.284 -10.241 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.550 -8.548 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.862 -7.794 1.472 1.00 0.00 H new ATOM 0 HG LEU A 26 6.119 -7.224 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.665 -7.141 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.539 -8.803 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.218 -8.115 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.285 -5.379 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.771 -6.291 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.190 -5.618 0.534 1.00 0.00 H new ATOM 437 N GLY A 27 5.831 -9.701 3.466 1.00 0.00 N ATOM 438 CA GLY A 27 6.858 -9.628 4.492 1.00 0.00 C ATOM 439 C GLY A 27 7.368 -8.205 4.637 1.00 0.00 C ATOM 440 O GLY A 27 8.579 -7.999 4.741 1.00 0.00 O ATOM 0 H GLY A 27 4.911 -9.940 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.454 -9.974 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.684 -10.292 4.236 1.00 0.00 H new ATOM 444 N VAL A 28 6.484 -7.205 4.573 1.00 0.00 N ATOM 445 CA VAL A 28 6.824 -5.885 5.095 1.00 0.00 C ATOM 446 C VAL A 28 6.990 -6.025 6.620 1.00 0.00 C ATOM 447 O VAL A 28 6.519 -7.006 7.204 1.00 0.00 O ATOM 448 CB VAL A 28 5.735 -4.874 4.673 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.438 -5.024 5.465 1.00 0.00 C ATOM 450 CG2 VAL A 28 6.242 -3.429 4.760 1.00 0.00 C ATOM 0 H VAL A 28 5.549 -7.283 4.174 1.00 0.00 H new ATOM 0 HA VAL A 28 7.760 -5.501 4.690 1.00 0.00 H new ATOM 0 HB VAL A 28 5.507 -5.106 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.714 -4.285 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.034 -6.025 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.639 -4.869 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.449 -2.746 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.537 -3.208 5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.101 -3.304 4.100 1.00 0.00 H new ATOM 460 N LYS A 29 7.599 -5.033 7.274 1.00 0.00 N ATOM 461 CA LYS A 29 7.665 -4.953 8.733 1.00 0.00 C ATOM 462 C LYS A 29 7.110 -3.648 9.272 1.00 0.00 C ATOM 463 O LYS A 29 6.625 -3.632 10.400 1.00 0.00 O ATOM 464 CB LYS A 29 9.115 -5.153 9.194 1.00 0.00 C ATOM 465 CG LYS A 29 9.419 -6.631 9.487 1.00 0.00 C ATOM 466 CD LYS A 29 10.745 -7.080 8.874 1.00 0.00 C ATOM 467 CE LYS A 29 10.565 -7.409 7.392 1.00 0.00 C ATOM 468 NZ LYS A 29 11.868 -7.548 6.722 1.00 0.00 N ATOM 0 H LYS A 29 8.063 -4.258 6.801 1.00 0.00 H new ATOM 0 HA LYS A 29 7.037 -5.748 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.795 -4.787 8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.297 -4.559 10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.448 -6.787 10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.612 -7.251 9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.491 -6.294 8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.120 -7.956 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.997 -8.334 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.985 -6.623 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.720 -7.771 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.397 -6.657 6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.409 -8.315 7.171 1.00 0.00 H new ATOM 482 N ASN A 30 7.140 -2.566 8.496 1.00 0.00 N ATOM 483 CA ASN A 30 6.732 -1.242 8.935 1.00 0.00 C ATOM 484 C ASN A 30 5.876 -0.677 7.819 1.00 0.00 C ATOM 485 O ASN A 30 6.343 -0.597 6.684 1.00 0.00 O ATOM 486 CB ASN A 30 7.965 -0.367 9.229 1.00 0.00 C ATOM 487 CG ASN A 30 8.165 -0.156 10.718 1.00 0.00 C ATOM 488 OD1 ASN A 30 9.192 -0.494 11.294 1.00 0.00 O ATOM 489 ND2 ASN A 30 7.187 0.431 11.378 1.00 0.00 N ATOM 0 H ASN A 30 7.456 -2.591 7.526 1.00 0.00 H new ATOM 0 HA ASN A 30 6.165 -1.275 9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.853 -0.837 8.806 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.851 0.599 8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.281 0.608 12.378 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.336 0.708 10.889 1.00 0.00 H new ATOM 496 N TYR A 31 4.602 -0.416 8.090 1.00 0.00 N ATOM 497 CA TYR A 31 3.617 -0.057 7.088 1.00 0.00 C ATOM 498 C TYR A 31 2.372 0.461 7.770 1.00 0.00 C ATOM 499 O TYR A 31 2.119 0.173 8.941 1.00 0.00 O ATOM 500 CB TYR A 31 3.264 -1.269 6.214 1.00 0.00 C ATOM 501 CG TYR A 31 2.567 -2.402 6.948 1.00 0.00 C ATOM 502 CD1 TYR A 31 3.234 -3.156 7.936 1.00 0.00 C ATOM 503 CD2 TYR A 31 1.221 -2.676 6.664 1.00 0.00 C ATOM 504 CE1 TYR A 31 2.548 -4.126 8.686 1.00 0.00 C ATOM 505 CE2 TYR A 31 0.541 -3.669 7.379 1.00 0.00 C ATOM 506 CZ TYR A 31 1.185 -4.363 8.422 1.00 0.00 C ATOM 507 OH TYR A 31 0.444 -5.189 9.204 1.00 0.00 O ATOM 0 H TYR A 31 4.221 -0.450 9.036 1.00 0.00 H new ATOM 0 HA TYR A 31 4.036 0.719 6.447 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.624 -0.936 5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.179 -1.654 5.765 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.285 -2.986 8.118 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.709 -2.120 5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.060 -4.684 9.456 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.483 -3.904 7.130 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.474 -5.225 8.864 1.00 0.00 H new ATOM 517 N GLU A 32 1.562 1.191 7.011 1.00 0.00 N ATOM 518 CA GLU A 32 0.356 1.804 7.533 1.00 0.00 C ATOM 519 C GLU A 32 -0.611 2.128 6.396 1.00 0.00 C ATOM 520 O GLU A 32 -0.316 2.965 5.541 1.00 0.00 O ATOM 521 CB GLU A 32 0.714 3.061 8.347 1.00 0.00 C ATOM 522 CG GLU A 32 -0.270 3.154 9.510 1.00 0.00 C ATOM 523 CD GLU A 32 -0.239 4.527 10.180 1.00 0.00 C ATOM 524 OE1 GLU A 32 -0.666 5.503 9.527 1.00 0.00 O ATOM 525 OE2 GLU A 32 0.209 4.636 11.345 1.00 0.00 O ATOM 0 H GLU A 32 1.726 1.371 6.021 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.144 1.102 8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.738 2.999 8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.653 3.952 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.278 2.950 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.034 2.386 10.247 1.00 0.00 H new ATOM 532 N VAL A 33 -1.757 1.453 6.346 1.00 0.00 N ATOM 533 CA VAL A 33 -2.809 1.739 5.380 1.00 0.00 C ATOM 534 C VAL A 33 -3.788 2.735 6.003 1.00 0.00 C ATOM 535 O VAL A 33 -4.126 2.611 7.180 1.00 0.00 O ATOM 536 CB VAL A 33 -3.516 0.430 4.981 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.598 0.717 3.929 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.528 -0.596 4.401 1.00 0.00 C ATOM 0 H VAL A 33 -1.981 0.687 6.981 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.389 2.179 4.476 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.963 0.014 5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.093 -0.214 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.332 1.409 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.138 1.160 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.065 -1.506 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.051 -0.180 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.768 -0.830 5.146 1.00 0.00 H new ATOM 548 N SER A 34 -4.314 3.649 5.191 1.00 0.00 N ATOM 549 CA SER A 34 -5.340 4.602 5.550 1.00 0.00 C ATOM 550 C SER A 34 -6.451 4.547 4.513 1.00 0.00 C ATOM 551 O SER A 34 -6.216 4.784 3.327 1.00 0.00 O ATOM 552 CB SER A 34 -4.711 5.990 5.672 1.00 0.00 C ATOM 553 OG SER A 34 -5.660 6.940 6.113 1.00 0.00 O ATOM 0 H SER A 34 -4.016 3.743 4.220 1.00 0.00 H new ATOM 0 HA SER A 34 -5.784 4.361 6.516 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.875 5.954 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.307 6.296 4.707 1.00 0.00 H new ATOM 0 HG SER A 34 -5.233 7.819 6.185 1.00 0.00 H new ATOM 559 N VAL A 35 -7.659 4.215 4.967 1.00 0.00 N ATOM 560 CA VAL A 35 -8.885 4.340 4.188 1.00 0.00 C ATOM 561 C VAL A 35 -9.275 5.808 4.062 1.00 0.00 C ATOM 562 O VAL A 35 -9.588 6.274 2.967 1.00 0.00 O ATOM 563 CB VAL A 35 -9.997 3.425 4.756 1.00 0.00 C ATOM 564 CG1 VAL A 35 -10.139 3.448 6.279 1.00 0.00 C ATOM 565 CG2 VAL A 35 -11.389 3.727 4.189 1.00 0.00 C ATOM 0 H VAL A 35 -7.813 3.845 5.905 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.719 3.984 3.171 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.651 2.441 4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.943 2.776 6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.204 3.123 6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.371 4.461 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.117 3.048 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.662 4.756 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.378 3.593 3.107 1.00 0.00 H new ATOM 575 N GLU A 36 -9.226 6.546 5.169 1.00 0.00 N ATOM 576 CA GLU A 36 -9.695 7.920 5.241 1.00 0.00 C ATOM 577 C GLU A 36 -8.933 8.780 4.227 1.00 0.00 C ATOM 578 O GLU A 36 -9.561 9.537 3.485 1.00 0.00 O ATOM 579 CB GLU A 36 -9.563 8.398 6.696 1.00 0.00 C ATOM 580 CG GLU A 36 -10.665 7.753 7.564 1.00 0.00 C ATOM 581 CD GLU A 36 -10.442 7.887 9.072 1.00 0.00 C ATOM 582 OE1 GLU A 36 -9.285 7.730 9.536 1.00 0.00 O ATOM 583 OE2 GLU A 36 -11.418 8.048 9.833 1.00 0.00 O ATOM 0 H GLU A 36 -8.853 6.197 6.052 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.747 8.005 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.580 8.135 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.643 9.484 6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.623 8.206 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.736 6.695 7.312 1.00 0.00 H new ATOM 590 N GLU A 37 -7.616 8.576 4.099 1.00 0.00 N ATOM 591 CA GLU A 37 -6.768 9.330 3.176 1.00 0.00 C ATOM 592 C GLU A 37 -6.345 8.533 1.926 1.00 0.00 C ATOM 593 O GLU A 37 -5.532 9.039 1.153 1.00 0.00 O ATOM 594 CB GLU A 37 -5.534 9.873 3.911 1.00 0.00 C ATOM 595 CG GLU A 37 -5.842 10.911 4.998 1.00 0.00 C ATOM 596 CD GLU A 37 -4.558 11.628 5.421 1.00 0.00 C ATOM 597 OE1 GLU A 37 -4.012 12.398 4.592 1.00 0.00 O ATOM 598 OE2 GLU A 37 -4.037 11.348 6.529 1.00 0.00 O ATOM 0 H GLU A 37 -7.108 7.876 4.639 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.376 10.158 2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.002 9.038 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.860 10.321 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.566 11.635 4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.295 10.422 5.860 1.00 0.00 H new ATOM 605 N LYS A 38 -6.871 7.317 1.693 1.00 0.00 N ATOM 606 CA LYS A 38 -6.543 6.464 0.537 1.00 0.00 C ATOM 607 C LYS A 38 -5.039 6.348 0.305 1.00 0.00 C ATOM 608 O LYS A 38 -4.511 6.580 -0.788 1.00 0.00 O ATOM 609 CB LYS A 38 -7.308 6.940 -0.704 1.00 0.00 C ATOM 610 CG LYS A 38 -8.800 6.587 -0.596 1.00 0.00 C ATOM 611 CD LYS A 38 -9.699 7.781 -0.900 1.00 0.00 C ATOM 612 CE LYS A 38 -9.530 8.818 0.221 1.00 0.00 C ATOM 613 NZ LYS A 38 -10.369 10.013 0.040 1.00 0.00 N ATOM 0 H LYS A 38 -7.553 6.890 2.320 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.873 5.449 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.192 8.018 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.885 6.479 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.030 5.776 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.013 6.221 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.435 8.218 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.740 7.464 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.773 8.353 1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.484 9.121 0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.209 10.672 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.122 10.478 -0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.371 9.734 0.020 1.00 0.00 H new ATOM 627 N LYS A 39 -4.328 5.972 1.362 1.00 0.00 N ATOM 628 CA LYS A 39 -2.877 5.977 1.382 1.00 0.00 C ATOM 629 C LYS A 39 -2.373 4.663 1.948 1.00 0.00 C ATOM 630 O LYS A 39 -3.077 3.975 2.689 1.00 0.00 O ATOM 631 CB LYS A 39 -2.391 7.201 2.179 1.00 0.00 C ATOM 632 CG LYS A 39 -1.784 8.281 1.268 1.00 0.00 C ATOM 633 CD LYS A 39 -1.200 9.472 2.031 1.00 0.00 C ATOM 634 CE LYS A 39 -2.289 10.289 2.726 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.766 11.552 3.283 1.00 0.00 N ATOM 0 H LYS A 39 -4.750 5.653 2.234 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.472 6.063 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.226 7.625 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.647 6.885 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.000 7.831 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.553 8.641 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.485 9.114 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.650 10.112 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.085 10.509 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.731 9.696 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.441 11.931 3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.853 11.374 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.635 12.242 2.516 1.00 0.00 H new ATOM 649 N VAL A 40 -1.141 4.310 1.610 1.00 0.00 N ATOM 650 CA VAL A 40 -0.427 3.168 2.149 1.00 0.00 C ATOM 651 C VAL A 40 1.001 3.652 2.320 1.00 0.00 C ATOM 652 O VAL A 40 1.608 4.081 1.343 1.00 0.00 O ATOM 653 CB VAL A 40 -0.507 1.974 1.180 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.297 0.780 1.710 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.942 1.537 0.879 1.00 0.00 C ATOM 0 H VAL A 40 -0.593 4.833 0.927 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.848 2.817 3.091 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.071 2.321 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.223 -0.049 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.342 1.067 1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.103 0.472 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.928 0.692 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.434 1.242 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.487 2.365 0.426 1.00 0.00 H new ATOM 665 N VAL A 41 1.539 3.671 3.534 1.00 0.00 N ATOM 666 CA VAL A 41 2.982 3.730 3.699 1.00 0.00 C ATOM 667 C VAL A 41 3.461 2.282 3.747 1.00 0.00 C ATOM 668 O VAL A 41 2.806 1.436 4.360 1.00 0.00 O ATOM 669 CB VAL A 41 3.387 4.535 4.946 1.00 0.00 C ATOM 670 CG1 VAL A 41 4.915 4.650 5.024 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.828 5.961 4.862 1.00 0.00 C ATOM 0 H VAL A 41 1.006 3.647 4.404 1.00 0.00 H new ATOM 0 HA VAL A 41 3.454 4.260 2.872 1.00 0.00 H new ATOM 0 HB VAL A 41 2.992 4.018 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.192 5.221 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.352 3.653 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.288 5.157 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.122 6.520 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.224 6.455 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.740 5.922 4.801 1.00 0.00 H new ATOM 681 N VAL A 42 4.603 2.011 3.127 1.00 0.00 N ATOM 682 CA VAL A 42 5.350 0.766 3.217 1.00 0.00 C ATOM 683 C VAL A 42 6.815 1.138 3.389 1.00 0.00 C ATOM 684 O VAL A 42 7.315 1.979 2.644 1.00 0.00 O ATOM 685 CB VAL A 42 5.157 -0.094 1.951 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.904 -0.965 2.093 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.092 0.746 0.656 1.00 0.00 C ATOM 0 H VAL A 42 5.055 2.691 2.516 1.00 0.00 H new ATOM 0 HA VAL A 42 4.995 0.172 4.059 1.00 0.00 H new ATOM 0 HB VAL A 42 6.036 -0.732 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.776 -1.568 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.012 -1.620 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.031 -0.327 2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.955 0.085 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.255 1.441 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.020 1.305 0.538 1.00 0.00 H new ATOM 697 N GLU A 43 7.487 0.531 4.360 1.00 0.00 N ATOM 698 CA GLU A 43 8.917 0.621 4.579 1.00 0.00 C ATOM 699 C GLU A 43 9.530 -0.629 3.939 1.00 0.00 C ATOM 700 O GLU A 43 9.437 -1.730 4.490 1.00 0.00 O ATOM 701 CB GLU A 43 9.176 0.737 6.089 1.00 0.00 C ATOM 702 CG GLU A 43 10.593 1.211 6.423 1.00 0.00 C ATOM 703 CD GLU A 43 10.792 1.200 7.939 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.278 2.137 8.603 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.423 0.235 8.433 1.00 0.00 O ATOM 0 H GLU A 43 7.023 -0.064 5.046 1.00 0.00 H new ATOM 0 HA GLU A 43 9.375 1.500 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.456 1.431 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.005 -0.233 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.327 0.562 5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.753 2.216 6.032 1.00 0.00 H new ATOM 712 N THR A 44 10.066 -0.486 2.727 1.00 0.00 N ATOM 713 CA THR A 44 10.730 -1.559 2.005 1.00 0.00 C ATOM 714 C THR A 44 11.951 -0.989 1.274 1.00 0.00 C ATOM 715 O THR A 44 12.320 0.178 1.420 1.00 0.00 O ATOM 716 CB THR A 44 9.701 -2.283 1.112 1.00 0.00 C ATOM 717 OG1 THR A 44 10.223 -3.505 0.610 1.00 0.00 O ATOM 718 CG2 THR A 44 9.250 -1.416 -0.070 1.00 0.00 C ATOM 0 H THR A 44 10.048 0.396 2.215 1.00 0.00 H new ATOM 0 HA THR A 44 11.121 -2.325 2.674 1.00 0.00 H new ATOM 0 HB THR A 44 8.839 -2.486 1.747 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.549 -3.943 0.049 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.526 -1.967 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.790 -0.502 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.113 -1.162 -0.685 1.00 0.00 H new ATOM 726 N GLU A 45 12.593 -1.829 0.475 1.00 0.00 N ATOM 727 CA GLU A 45 13.658 -1.478 -0.445 1.00 0.00 C ATOM 728 C GLU A 45 13.182 -1.780 -1.870 1.00 0.00 C ATOM 729 O GLU A 45 13.418 -0.982 -2.776 1.00 0.00 O ATOM 730 CB GLU A 45 14.893 -2.292 -0.051 1.00 0.00 C ATOM 731 CG GLU A 45 16.118 -2.026 -0.933 1.00 0.00 C ATOM 732 CD GLU A 45 17.155 -3.154 -0.903 1.00 0.00 C ATOM 733 OE1 GLU A 45 16.987 -4.154 -0.153 1.00 0.00 O ATOM 734 OE2 GLU A 45 18.140 -3.048 -1.661 1.00 0.00 O ATOM 0 H GLU A 45 12.371 -2.824 0.452 1.00 0.00 H new ATOM 0 HA GLU A 45 13.917 -0.420 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.148 -2.069 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.647 -3.353 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.789 -1.874 -1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.593 -1.099 -0.610 1.00 0.00 H new ATOM 741 N ASN A 46 12.500 -2.914 -2.091 1.00 0.00 N ATOM 742 CA ASN A 46 11.945 -3.229 -3.410 1.00 0.00 C ATOM 743 C ASN A 46 10.519 -2.708 -3.503 1.00 0.00 C ATOM 744 O ASN A 46 9.559 -3.464 -3.338 1.00 0.00 O ATOM 745 CB ASN A 46 12.029 -4.718 -3.785 1.00 0.00 C ATOM 746 CG ASN A 46 11.681 -4.923 -5.259 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.641 -3.978 -6.045 1.00 0.00 O ATOM 748 ND2 ASN A 46 11.445 -6.150 -5.686 1.00 0.00 N ATOM 0 H ASN A 46 12.322 -3.621 -1.378 1.00 0.00 H new ATOM 0 HA ASN A 46 12.568 -2.721 -4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.034 -5.092 -3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.346 -5.295 -3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.229 -6.315 -6.669 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.479 -6.933 -5.033 1.00 0.00 H new ATOM 755 N LEU A 47 10.387 -1.406 -3.758 1.00 0.00 N ATOM 756 CA LEU A 47 9.094 -0.766 -3.966 1.00 0.00 C ATOM 757 C LEU A 47 8.329 -1.436 -5.106 1.00 0.00 C ATOM 758 O LEU A 47 7.124 -1.633 -4.970 1.00 0.00 O ATOM 759 CB LEU A 47 9.295 0.726 -4.249 1.00 0.00 C ATOM 760 CG LEU A 47 8.005 1.441 -4.690 1.00 0.00 C ATOM 761 CD1 LEU A 47 6.937 1.442 -3.593 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.321 2.880 -5.071 1.00 0.00 C ATOM 0 H LEU A 47 11.178 -0.766 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 47 8.499 -0.877 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.682 1.210 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.051 0.843 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 47 7.609 0.893 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.047 1.958 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.681 0.415 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.322 1.954 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.406 3.383 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.746 3.399 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.038 2.890 -5.892 1.00 0.00 H new ATOM 774 N ASP A 48 9.008 -1.808 -6.195 1.00 0.00 N ATOM 775 CA ASP A 48 8.392 -2.446 -7.364 1.00 0.00 C ATOM 776 C ASP A 48 7.583 -3.672 -6.943 1.00 0.00 C ATOM 777 O ASP A 48 6.470 -3.859 -7.429 1.00 0.00 O ATOM 778 CB ASP A 48 9.461 -2.834 -8.396 1.00 0.00 C ATOM 779 CG ASP A 48 8.878 -3.227 -9.757 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.436 -2.342 -10.527 1.00 0.00 O ATOM 781 OD2 ASP A 48 8.921 -4.415 -10.136 1.00 0.00 O ATOM 0 H ASP A 48 10.014 -1.673 -6.292 1.00 0.00 H new ATOM 0 HA ASP A 48 7.714 -1.729 -7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.146 -1.997 -8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.047 -3.666 -8.006 1.00 0.00 H new ATOM 786 N SER A 49 8.085 -4.450 -5.969 1.00 0.00 N ATOM 787 CA SER A 49 7.343 -5.571 -5.406 1.00 0.00 C ATOM 788 C SER A 49 6.001 -5.133 -4.814 1.00 0.00 C ATOM 789 O SER A 49 4.979 -5.762 -5.092 1.00 0.00 O ATOM 790 CB SER A 49 8.192 -6.283 -4.360 1.00 0.00 C ATOM 791 OG SER A 49 7.764 -7.610 -4.162 1.00 0.00 O ATOM 0 H SER A 49 9.009 -4.315 -5.559 1.00 0.00 H new ATOM 0 HA SER A 49 7.119 -6.265 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.236 -6.280 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.141 -5.739 -3.417 1.00 0.00 H new ATOM 0 HG SER A 49 8.330 -8.039 -3.487 1.00 0.00 H new ATOM 797 N VAL A 50 5.982 -4.062 -4.014 1.00 0.00 N ATOM 798 CA VAL A 50 4.758 -3.559 -3.406 1.00 0.00 C ATOM 799 C VAL A 50 3.813 -3.064 -4.504 1.00 0.00 C ATOM 800 O VAL A 50 2.640 -3.421 -4.489 1.00 0.00 O ATOM 801 CB VAL A 50 5.029 -2.423 -2.397 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.724 -2.129 -1.638 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.157 -2.661 -1.379 1.00 0.00 C ATOM 0 H VAL A 50 6.815 -3.525 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 50 4.300 -4.379 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 50 5.378 -1.584 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.894 -1.328 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.953 -1.824 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.399 -3.026 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.248 -1.792 -0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.926 -3.541 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.097 -2.818 -1.908 1.00 0.00 H new ATOM 813 N LEU A 51 4.291 -2.229 -5.432 1.00 0.00 N ATOM 814 CA LEU A 51 3.449 -1.609 -6.458 1.00 0.00 C ATOM 815 C LEU A 51 2.746 -2.683 -7.282 1.00 0.00 C ATOM 816 O LEU A 51 1.541 -2.598 -7.524 1.00 0.00 O ATOM 817 CB LEU A 51 4.288 -0.703 -7.376 1.00 0.00 C ATOM 818 CG LEU A 51 4.840 0.560 -6.695 1.00 0.00 C ATOM 819 CD1 LEU A 51 5.732 1.330 -7.670 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.744 1.502 -6.178 1.00 0.00 C ATOM 0 H LEU A 51 5.274 -1.964 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 51 2.698 -0.995 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.123 -1.281 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.676 -0.404 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 51 5.409 0.217 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.119 2.224 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.563 0.697 -7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.150 1.619 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.203 2.372 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.120 1.826 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.129 0.978 -5.446 1.00 0.00 H new ATOM 832 N LYS A 52 3.489 -3.719 -7.657 1.00 0.00 N ATOM 833 CA LYS A 52 2.989 -4.875 -8.374 1.00 0.00 C ATOM 834 C LYS A 52 2.030 -5.687 -7.506 1.00 0.00 C ATOM 835 O LYS A 52 0.958 -6.048 -7.976 1.00 0.00 O ATOM 836 CB LYS A 52 4.188 -5.691 -8.850 1.00 0.00 C ATOM 837 CG LYS A 52 4.801 -5.062 -10.111 1.00 0.00 C ATOM 838 CD LYS A 52 5.981 -5.902 -10.601 1.00 0.00 C ATOM 839 CE LYS A 52 6.478 -5.497 -11.997 1.00 0.00 C ATOM 840 NZ LYS A 52 6.842 -4.073 -12.108 1.00 0.00 N ATOM 0 H LYS A 52 4.489 -3.774 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 52 2.408 -4.564 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.938 -5.741 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.878 -6.715 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.046 -4.991 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.133 -4.047 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.802 -5.811 -9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.688 -6.952 -10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.345 -6.105 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.702 -5.722 -12.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.196 -3.600 -12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.769 -3.622 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.818 -3.990 -12.457 1.00 0.00 H new ATOM 854 N LYS A 53 2.358 -5.954 -6.237 1.00 0.00 N ATOM 855 CA LYS A 53 1.463 -6.672 -5.325 1.00 0.00 C ATOM 856 C LYS A 53 0.130 -5.940 -5.160 1.00 0.00 C ATOM 857 O LYS A 53 -0.894 -6.598 -5.005 1.00 0.00 O ATOM 858 CB LYS A 53 2.171 -6.896 -3.974 1.00 0.00 C ATOM 859 CG LYS A 53 1.365 -7.671 -2.915 1.00 0.00 C ATOM 860 CD LYS A 53 0.851 -9.045 -3.384 1.00 0.00 C ATOM 861 CE LYS A 53 1.154 -10.139 -2.352 1.00 0.00 C ATOM 862 NZ LYS A 53 0.485 -11.410 -2.691 1.00 0.00 N ATOM 0 H LYS A 53 3.246 -5.680 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 53 1.228 -7.646 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.102 -7.431 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.439 -5.924 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.990 -7.812 -2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.513 -7.064 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.224 -8.993 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.315 -9.303 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.231 -10.298 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.829 -9.809 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.713 -12.125 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.544 -11.264 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.814 -11.738 -3.621 1.00 0.00 H new ATOM 876 N LEU A 54 0.132 -4.607 -5.158 1.00 0.00 N ATOM 877 CA LEU A 54 -1.074 -3.795 -5.089 1.00 0.00 C ATOM 878 C LEU A 54 -1.890 -3.947 -6.372 1.00 0.00 C ATOM 879 O LEU A 54 -3.094 -4.186 -6.321 1.00 0.00 O ATOM 880 CB LEU A 54 -0.666 -2.338 -4.850 1.00 0.00 C ATOM 881 CG LEU A 54 -0.565 -1.912 -3.377 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.920 -1.409 -2.872 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.048 -2.961 -2.381 1.00 0.00 C ATOM 0 H LEU A 54 0.989 -4.056 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.706 -4.126 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.299 -2.166 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.387 -1.691 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 54 0.195 -1.131 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.831 -1.111 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.235 -0.552 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.660 -2.205 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.026 -2.532 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.709 -3.828 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.958 -3.269 -2.666 1.00 0.00 H new ATOM 895 N GLU A 55 -1.247 -3.856 -7.531 1.00 0.00 N ATOM 896 CA GLU A 55 -1.882 -3.996 -8.824 1.00 0.00 C ATOM 897 C GLU A 55 -2.557 -5.372 -8.925 1.00 0.00 C ATOM 898 O GLU A 55 -3.713 -5.469 -9.335 1.00 0.00 O ATOM 899 CB GLU A 55 -0.775 -3.770 -9.858 1.00 0.00 C ATOM 900 CG GLU A 55 -1.278 -3.642 -11.287 1.00 0.00 C ATOM 901 CD GLU A 55 -0.092 -3.305 -12.192 1.00 0.00 C ATOM 902 OE1 GLU A 55 0.604 -4.249 -12.631 1.00 0.00 O ATOM 903 OE2 GLU A 55 0.204 -2.098 -12.363 1.00 0.00 O ATOM 0 H GLU A 55 -0.244 -3.678 -7.592 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.681 -3.275 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.226 -2.866 -9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.069 -4.599 -9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.747 -4.572 -11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.038 -2.863 -11.353 1.00 0.00 H new ATOM 910 N GLU A 56 -1.873 -6.420 -8.459 1.00 0.00 N ATOM 911 CA GLU A 56 -2.329 -7.804 -8.447 1.00 0.00 C ATOM 912 C GLU A 56 -3.608 -8.027 -7.641 1.00 0.00 C ATOM 913 O GLU A 56 -4.310 -9.002 -7.907 1.00 0.00 O ATOM 914 CB GLU A 56 -1.233 -8.709 -7.854 1.00 0.00 C ATOM 915 CG GLU A 56 -0.412 -9.465 -8.905 1.00 0.00 C ATOM 916 CD GLU A 56 -0.284 -10.935 -8.502 1.00 0.00 C ATOM 917 OE1 GLU A 56 -1.251 -11.705 -8.714 1.00 0.00 O ATOM 918 OE2 GLU A 56 0.731 -11.297 -7.854 1.00 0.00 O ATOM 0 H GLU A 56 -0.940 -6.316 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.545 -8.052 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.560 -8.099 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.697 -9.431 -7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.892 -9.386 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.577 -9.017 -8.999 1.00 0.00 H new ATOM 925 N ILE A 57 -3.922 -7.198 -6.643 1.00 0.00 N ATOM 926 CA ILE A 57 -5.137 -7.349 -5.843 1.00 0.00 C ATOM 927 C ILE A 57 -6.284 -6.511 -6.431 1.00 0.00 C ATOM 928 O ILE A 57 -7.260 -6.257 -5.726 1.00 0.00 O ATOM 929 CB ILE A 57 -4.866 -7.107 -4.338 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.364 -5.686 -4.044 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.903 -8.170 -3.779 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.536 -5.240 -2.594 1.00 0.00 C ATOM 0 H ILE A 57 -3.342 -6.405 -6.368 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.471 -8.385 -5.898 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.823 -7.204 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.308 -5.626 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.893 -4.986 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.727 -7.980 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.342 -9.160 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.957 -8.123 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.155 -4.225 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.593 -5.263 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.983 -5.913 -1.938 1.00 0.00 H new ATOM 944 N ASP A 58 -6.171 -6.102 -7.703 1.00 0.00 N ATOM 945 CA ASP A 58 -7.031 -5.218 -8.501 1.00 0.00 C ATOM 946 C ASP A 58 -6.855 -3.738 -8.115 1.00 0.00 C ATOM 947 O ASP A 58 -7.705 -2.928 -8.486 1.00 0.00 O ATOM 948 CB ASP A 58 -8.541 -5.563 -8.472 1.00 0.00 C ATOM 949 CG ASP A 58 -8.969 -7.007 -8.725 1.00 0.00 C ATOM 950 OD1 ASP A 58 -9.112 -7.454 -9.886 1.00 0.00 O ATOM 951 OD2 ASP A 58 -9.391 -7.684 -7.758 1.00 0.00 O ATOM 0 H ASP A 58 -5.380 -6.422 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.686 -5.390 -9.521 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.928 -5.270 -7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.037 -4.937 -9.213 1.00 0.00 H new ATOM 956 N TYR A 59 -5.829 -3.351 -7.344 1.00 0.00 N ATOM 957 CA TYR A 59 -5.710 -2.007 -6.768 1.00 0.00 C ATOM 958 C TYR A 59 -4.481 -1.288 -7.349 1.00 0.00 C ATOM 959 O TYR A 59 -3.469 -1.153 -6.656 1.00 0.00 O ATOM 960 CB TYR A 59 -5.611 -2.058 -5.232 1.00 0.00 C ATOM 961 CG TYR A 59 -6.833 -2.406 -4.397 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.794 -3.358 -4.784 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.964 -1.780 -3.148 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.867 -3.677 -3.938 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.022 -2.099 -2.286 1.00 0.00 C ATOM 966 CZ TYR A 59 -8.998 -3.031 -2.696 1.00 0.00 C ATOM 967 OH TYR A 59 -10.076 -3.302 -1.919 1.00 0.00 O ATOM 0 H TYR A 59 -5.053 -3.968 -7.102 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.611 -1.452 -7.029 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.833 -2.780 -4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.259 -1.082 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.705 -3.848 -5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.238 -1.040 -2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.592 -4.418 -4.241 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.090 -1.634 -1.314 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.625 -2.495 -1.828 1.00 0.00 H new ATOM 977 N PRO A 60 -4.526 -0.798 -8.597 1.00 0.00 N ATOM 978 CA PRO A 60 -3.402 -0.092 -9.180 1.00 0.00 C ATOM 979 C PRO A 60 -3.219 1.244 -8.453 1.00 0.00 C ATOM 980 O PRO A 60 -4.132 2.077 -8.383 1.00 0.00 O ATOM 981 CB PRO A 60 -3.731 0.049 -10.663 1.00 0.00 C ATOM 982 CG PRO A 60 -5.258 0.086 -10.681 1.00 0.00 C ATOM 983 CD PRO A 60 -5.646 -0.829 -9.520 1.00 0.00 C ATOM 0 HA PRO A 60 -2.450 -0.613 -9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.301 0.957 -11.086 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.342 -0.788 -11.243 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.637 1.098 -10.540 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.658 -0.275 -11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.559 -0.482 -9.037 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.836 -1.844 -9.869 1.00 0.00 H new ATOM 991 N VAL A 61 -2.043 1.442 -7.869 1.00 0.00 N ATOM 992 CA VAL A 61 -1.641 2.677 -7.211 1.00 0.00 C ATOM 993 C VAL A 61 -1.584 3.777 -8.283 1.00 0.00 C ATOM 994 O VAL A 61 -1.128 3.510 -9.399 1.00 0.00 O ATOM 995 CB VAL A 61 -0.270 2.424 -6.539 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.242 3.647 -5.772 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.305 1.221 -5.576 1.00 0.00 C ATOM 0 H VAL A 61 -1.320 0.723 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.340 2.997 -6.438 1.00 0.00 H new ATOM 0 HB VAL A 61 0.413 2.208 -7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.207 3.416 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.355 4.486 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.471 3.911 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.680 1.084 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.037 1.405 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.582 0.322 -6.127 1.00 0.00 H new ATOM 1007 N GLU A 62 -1.989 5.014 -7.981 1.00 0.00 N ATOM 1008 CA GLU A 62 -1.787 6.136 -8.901 1.00 0.00 C ATOM 1009 C GLU A 62 -0.292 6.493 -8.912 1.00 0.00 C ATOM 1010 O GLU A 62 0.404 6.239 -9.899 1.00 0.00 O ATOM 1011 CB GLU A 62 -2.703 7.324 -8.538 1.00 0.00 C ATOM 1012 CG GLU A 62 -2.444 8.530 -9.463 1.00 0.00 C ATOM 1013 CD GLU A 62 -3.589 9.548 -9.524 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -4.086 9.980 -8.459 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -4.013 9.977 -10.622 1.00 0.00 O ATOM 0 H GLU A 62 -2.457 5.263 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.073 5.856 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.747 7.019 -8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.533 7.614 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.540 9.040 -9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.249 8.163 -10.470 1.00 0.00 H new ATOM 1022 N SER A 63 0.216 7.029 -7.798 1.00 0.00 N ATOM 1023 CA SER A 63 1.597 7.469 -7.614 1.00 0.00 C ATOM 1024 C SER A 63 2.034 7.239 -6.163 1.00 0.00 C ATOM 1025 O SER A 63 1.285 6.674 -5.362 1.00 0.00 O ATOM 1026 CB SER A 63 1.731 8.941 -8.032 1.00 0.00 C ATOM 1027 OG SER A 63 1.889 9.019 -9.433 1.00 0.00 O ATOM 0 H SER A 63 -0.353 7.173 -6.964 1.00 0.00 H new ATOM 0 HA SER A 63 2.260 6.882 -8.249 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.848 9.500 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.587 9.396 -7.533 1.00 0.00 H new ATOM 0 HG SER A 63 1.534 8.205 -9.848 1.00 0.00 H new ATOM 1033 N TYR A 64 3.274 7.611 -5.851 1.00 0.00 N ATOM 1034 CA TYR A 64 3.972 7.366 -4.600 1.00 0.00 C ATOM 1035 C TYR A 64 4.907 8.559 -4.325 1.00 0.00 C ATOM 1036 O TYR A 64 5.069 9.426 -5.183 1.00 0.00 O ATOM 1037 CB TYR A 64 4.727 6.029 -4.710 1.00 0.00 C ATOM 1038 CG TYR A 64 5.466 5.841 -6.025 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.660 6.544 -6.269 1.00 0.00 C ATOM 1040 CD2 TYR A 64 4.912 5.029 -7.035 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.297 6.442 -7.524 1.00 0.00 C ATOM 1042 CE2 TYR A 64 5.543 4.922 -8.285 1.00 0.00 C ATOM 1043 CZ TYR A 64 6.737 5.630 -8.539 1.00 0.00 C ATOM 1044 OH TYR A 64 7.321 5.538 -9.764 1.00 0.00 O ATOM 0 H TYR A 64 3.853 8.126 -6.514 1.00 0.00 H new ATOM 0 HA TYR A 64 3.283 7.283 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.442 5.959 -3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.017 5.212 -4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.090 7.162 -5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.997 4.486 -6.847 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.212 6.984 -7.710 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.114 4.297 -9.054 1.00 0.00 H new ATOM 0 HH TYR A 64 6.798 4.934 -10.331 1.00 0.00 H new ATOM 1054 N GLN A 65 5.550 8.603 -3.155 1.00 0.00 N ATOM 1055 CA GLN A 65 6.554 9.591 -2.776 1.00 0.00 C ATOM 1056 C GLN A 65 7.550 8.899 -1.852 1.00 0.00 C ATOM 1057 O GLN A 65 7.122 8.107 -1.018 1.00 0.00 O ATOM 1058 CB GLN A 65 5.907 10.754 -2.008 1.00 0.00 C ATOM 1059 CG GLN A 65 5.781 12.042 -2.806 1.00 0.00 C ATOM 1060 CD GLN A 65 5.315 13.155 -1.875 1.00 0.00 C ATOM 1061 OE1 GLN A 65 4.177 13.150 -1.404 1.00 0.00 O ATOM 1062 NE2 GLN A 65 6.180 14.096 -1.531 1.00 0.00 N ATOM 0 H GLN A 65 5.375 7.921 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 65 7.036 9.987 -3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.915 10.447 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.494 10.953 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.739 12.303 -3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.071 11.912 -3.623 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.121 14.093 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.906 14.824 -0.871 1.00 0.00 H new ATOM 1071 N GLU A 66 8.835 9.203 -1.969 1.00 0.00 N ATOM 1072 CA GLU A 66 9.928 8.687 -1.158 1.00 0.00 C ATOM 1073 C GLU A 66 9.972 9.398 0.199 1.00 0.00 C ATOM 1074 O GLU A 66 9.797 10.621 0.250 1.00 0.00 O ATOM 1075 CB GLU A 66 11.223 8.974 -1.932 1.00 0.00 C ATOM 1076 CG GLU A 66 12.211 7.817 -1.871 1.00 0.00 C ATOM 1077 CD GLU A 66 13.489 8.173 -2.633 1.00 0.00 C ATOM 1078 OE1 GLU A 66 14.277 9.018 -2.143 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.705 7.674 -3.760 1.00 0.00 O ATOM 0 H GLU A 66 9.162 9.859 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 66 9.800 7.621 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.980 9.185 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.693 9.870 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.450 7.588 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.761 6.922 -2.300 1.00 0.00 H new ATOM 1086 N VAL A 67 10.218 8.652 1.280 1.00 0.00 N ATOM 1087 CA VAL A 67 10.406 9.135 2.653 1.00 0.00 C ATOM 1088 C VAL A 67 11.233 8.165 3.509 1.00 0.00 C ATOM 1089 O VAL A 67 11.814 7.180 3.003 1.00 0.00 O ATOM 1090 CB VAL A 67 9.061 9.518 3.332 1.00 0.00 C ATOM 1091 CG1 VAL A 67 8.763 11.021 3.253 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.845 8.837 2.686 1.00 0.00 C ATOM 0 H VAL A 67 10.296 7.637 1.218 1.00 0.00 H new ATOM 0 HA VAL A 67 10.990 10.052 2.578 1.00 0.00 H new ATOM 0 HB VAL A 67 9.198 9.189 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.812 11.230 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.558 11.576 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.707 11.326 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.937 9.145 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.780 9.127 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.954 7.755 2.757 1.00 0.00 H new TER 1102 VAL A 67