USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 536 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 33 LYS NZ :NH3+ -150:sc= -2.62! (180deg=-5.19!) USER MOD Set 1.2: A 35 ASN : amide:sc= 0.2 K(o=-2.4,f=-9!) USER MOD Single : A 3 LYS NZ :NH3+ -153:sc= 1.09 (180deg=0.988) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 133:sc= -0.0685 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 87:sc= 0.492 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.564) USER MOD Single : A 24 CYS SG : rot 40:sc= 1.06 USER MOD Single : A 26 LYS NZ :NH3+ -169:sc=-0.00386 (180deg=-0.112) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -1.48 (180deg=-2.31!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.22) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= -0.0108 (180deg=-0.0808) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.021) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.77 K(o=0.77,f=-0.17) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0238 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc=-0.00127 (180deg=-0.107) USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 61 SER OG : rot 29:sc= 1.2 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= 1.3 (180deg=1.14) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 -9.223 -7.725 7.404 1.00 0.00 N ATOM 2 CA LYS A 3 -8.589 -7.416 6.127 1.00 0.00 C ATOM 3 C LYS A 3 -9.542 -6.582 5.275 1.00 0.00 C ATOM 4 O LYS A 3 -9.863 -6.925 4.138 1.00 0.00 O ATOM 5 CB LYS A 3 -8.149 -8.695 5.392 1.00 0.00 C ATOM 6 CG LYS A 3 -7.290 -8.439 4.162 1.00 0.00 C ATOM 7 CD LYS A 3 -6.762 -9.738 3.577 1.00 0.00 C ATOM 8 CE LYS A 3 -5.958 -9.507 2.307 1.00 0.00 C ATOM 9 NZ LYS A 3 -6.802 -9.011 1.191 1.00 0.00 N ATOM 0 HA LYS A 3 -7.685 -6.836 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.594 -9.327 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.036 -9.253 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.876 -7.911 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.455 -7.791 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.137 -10.240 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.597 -10.404 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.164 -8.787 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.476 -10.438 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.377 -9.290 0.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.755 -9.421 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.866 -7.974 1.239 1.00 0.00 H new ATOM 23 N LYS A 4 -10.010 -5.487 5.859 1.00 0.00 N ATOM 24 CA LYS A 4 -10.913 -4.577 5.172 1.00 0.00 C ATOM 25 C LYS A 4 -10.148 -3.399 4.591 1.00 0.00 C ATOM 26 O LYS A 4 -8.925 -3.304 4.740 1.00 0.00 O ATOM 27 CB LYS A 4 -11.992 -4.048 6.125 1.00 0.00 C ATOM 28 CG LYS A 4 -11.423 -3.254 7.292 1.00 0.00 C ATOM 29 CD LYS A 4 -12.439 -2.284 7.872 1.00 0.00 C ATOM 30 CE LYS A 4 -13.682 -2.992 8.375 1.00 0.00 C ATOM 31 NZ LYS A 4 -14.630 -2.043 9.014 1.00 0.00 N ATOM 0 H LYS A 4 -9.777 -5.208 6.812 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.389 -5.136 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.683 -3.416 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.569 -4.888 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.093 -3.941 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.544 -2.702 6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.982 -1.728 8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.720 -1.556 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.176 -3.497 7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.398 -3.762 9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.468 -2.561 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.166 -1.580 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.920 -1.323 8.322 1.00 0.00 H new ATOM 45 N SER A 5 -10.879 -2.505 3.938 1.00 0.00 N ATOM 46 CA SER A 5 -10.306 -1.279 3.422 1.00 0.00 C ATOM 47 C SER A 5 -9.793 -0.441 4.582 1.00 0.00 C ATOM 48 O SER A 5 -10.525 -0.144 5.527 1.00 0.00 O ATOM 49 CB SER A 5 -11.353 -0.516 2.611 1.00 0.00 C ATOM 50 OG SER A 5 -10.873 0.741 2.182 1.00 0.00 O ATOM 0 H SER A 5 -11.877 -2.612 3.755 1.00 0.00 H new ATOM 0 HA SER A 5 -9.471 -1.508 2.760 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.643 -1.109 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.249 -0.375 3.216 1.00 0.00 H new ATOM 0 HG SER A 5 -11.078 0.862 1.231 1.00 0.00 H new ATOM 56 N ARG A 6 -8.536 -0.075 4.506 1.00 0.00 N ATOM 57 CA ARG A 6 -7.855 0.550 5.626 1.00 0.00 C ATOM 58 C ARG A 6 -7.116 1.796 5.188 1.00 0.00 C ATOM 59 O ARG A 6 -7.126 2.154 4.017 1.00 0.00 O ATOM 60 CB ARG A 6 -6.888 -0.445 6.243 1.00 0.00 C ATOM 61 CG ARG A 6 -5.798 -0.891 5.291 1.00 0.00 C ATOM 62 CD ARG A 6 -5.113 -2.142 5.798 1.00 0.00 C ATOM 63 NE ARG A 6 -6.055 -3.248 5.973 1.00 0.00 N ATOM 64 CZ ARG A 6 -6.114 -4.005 7.067 1.00 0.00 C ATOM 65 NH1 ARG A 6 -5.403 -3.687 8.144 1.00 0.00 N ATOM 66 NH2 ARG A 6 -6.920 -5.051 7.102 1.00 0.00 N ATOM 0 H ARG A 6 -7.956 -0.198 3.676 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.598 0.847 6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.430 0.003 7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.444 -1.319 6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.225 -1.080 4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.065 -0.093 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.332 -2.438 5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.624 -1.928 6.748 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.704 -3.451 5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.808 -2.859 8.136 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.453 -4.271 8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.496 -5.278 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.966 -5.632 7.939 1.00 0.00 H new ATOM 80 N LEU A 7 -6.461 2.438 6.135 1.00 0.00 N ATOM 81 CA LEU A 7 -5.872 3.739 5.901 1.00 0.00 C ATOM 82 C LEU A 7 -4.399 3.607 5.517 1.00 0.00 C ATOM 83 O LEU A 7 -3.551 3.304 6.360 1.00 0.00 O ATOM 84 CB LEU A 7 -6.031 4.603 7.156 1.00 0.00 C ATOM 85 CG LEU A 7 -6.229 6.106 6.913 1.00 0.00 C ATOM 86 CD1 LEU A 7 -5.001 6.725 6.266 1.00 0.00 C ATOM 87 CD2 LEU A 7 -7.459 6.354 6.051 1.00 0.00 C ATOM 0 H LEU A 7 -6.324 2.076 7.079 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.388 4.219 5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.883 4.231 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.148 4.469 7.781 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.379 6.581 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.171 7.790 6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.139 6.589 6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.811 6.240 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.581 7.425 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.336 5.855 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.342 5.959 6.554 1.00 0.00 H new ATOM 99 N TRP A 8 -4.116 3.823 4.242 1.00 0.00 N ATOM 100 CA TRP A 8 -2.754 3.799 3.727 1.00 0.00 C ATOM 101 C TRP A 8 -2.174 5.203 3.763 1.00 0.00 C ATOM 102 O TRP A 8 -2.884 6.179 3.494 1.00 0.00 O ATOM 103 CB TRP A 8 -2.726 3.265 2.292 1.00 0.00 C ATOM 104 CG TRP A 8 -3.230 1.861 2.166 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.515 1.442 2.322 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.461 0.694 1.848 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.598 0.087 2.136 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.351 -0.397 1.840 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.111 0.464 1.571 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -2.930 -1.698 1.566 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.696 -0.826 1.298 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.602 -1.891 1.297 1.00 0.00 C ATOM 0 H TRP A 8 -4.823 4.020 3.534 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.155 3.137 4.353 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.328 3.917 1.659 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.704 3.311 1.916 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.350 2.085 2.558 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.449 -0.470 2.206 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.404 1.280 1.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.627 -2.523 1.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.345 -1.014 1.082 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.246 -2.887 1.079 1.00 0.00 H new ATOM 123 N VAL A 9 -0.900 5.309 4.096 1.00 0.00 N ATOM 124 CA VAL A 9 -0.273 6.610 4.272 1.00 0.00 C ATOM 125 C VAL A 9 1.066 6.686 3.547 1.00 0.00 C ATOM 126 O VAL A 9 1.859 5.746 3.581 1.00 0.00 O ATOM 127 CB VAL A 9 -0.050 6.926 5.769 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.643 8.267 5.941 1.00 0.00 C ATOM 129 CG2 VAL A 9 -1.362 6.903 6.537 1.00 0.00 C ATOM 0 H VAL A 9 -0.280 4.514 4.250 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.954 7.346 3.844 1.00 0.00 H new ATOM 0 HB VAL A 9 0.595 6.149 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.789 8.468 7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.611 8.244 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.027 9.053 5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.173 7.129 7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.040 7.649 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.815 5.915 6.454 1.00 0.00 H new ATOM 139 N ASP A 10 1.298 7.809 2.877 1.00 0.00 N ATOM 140 CA ASP A 10 2.600 8.098 2.290 1.00 0.00 C ATOM 141 C ASP A 10 3.606 8.428 3.374 1.00 0.00 C ATOM 142 O ASP A 10 3.260 8.924 4.445 1.00 0.00 O ATOM 143 CB ASP A 10 2.504 9.244 1.277 1.00 0.00 C ATOM 144 CG ASP A 10 3.715 10.159 1.264 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.676 9.876 0.527 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.710 11.169 1.991 1.00 0.00 O ATOM 0 H ASP A 10 0.599 8.536 2.727 1.00 0.00 H new ATOM 0 HA ASP A 10 2.939 7.208 1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.368 8.824 0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.616 9.837 1.497 1.00 0.00 H new ATOM 151 N ARG A 11 4.858 8.167 3.052 1.00 0.00 N ATOM 152 CA ARG A 11 5.949 8.202 4.025 1.00 0.00 C ATOM 153 C ARG A 11 6.155 9.601 4.597 1.00 0.00 C ATOM 154 O ARG A 11 6.604 9.753 5.735 1.00 0.00 O ATOM 155 CB ARG A 11 7.235 7.691 3.369 1.00 0.00 C ATOM 156 CG ARG A 11 8.433 7.613 4.302 1.00 0.00 C ATOM 157 CD ARG A 11 9.332 8.827 4.153 1.00 0.00 C ATOM 158 NE ARG A 11 9.815 8.976 2.780 1.00 0.00 N ATOM 159 CZ ARG A 11 10.688 9.902 2.393 1.00 0.00 C ATOM 160 NH1 ARG A 11 11.120 10.820 3.254 1.00 0.00 N ATOM 161 NH2 ARG A 11 11.101 9.928 1.133 1.00 0.00 N ATOM 0 H ARG A 11 5.155 7.923 2.107 1.00 0.00 H new ATOM 0 HA ARG A 11 5.684 7.553 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.048 6.700 2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.485 8.343 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.088 7.538 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.003 6.708 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.785 9.723 4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.181 8.736 4.830 1.00 0.00 H new ATOM 0 HE ARG A 11 9.460 8.329 2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.782 10.816 4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.789 11.528 2.952 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.749 9.240 0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.770 10.636 0.830 1.00 0.00 H new ATOM 175 N SER A 12 5.824 10.614 3.814 1.00 0.00 N ATOM 176 CA SER A 12 5.960 11.995 4.254 1.00 0.00 C ATOM 177 C SER A 12 4.648 12.501 4.862 1.00 0.00 C ATOM 178 O SER A 12 4.587 13.597 5.424 1.00 0.00 O ATOM 179 CB SER A 12 6.378 12.881 3.078 1.00 0.00 C ATOM 180 OG SER A 12 7.542 12.372 2.442 1.00 0.00 O ATOM 0 H SER A 12 5.458 10.507 2.868 1.00 0.00 H new ATOM 0 HA SER A 12 6.732 12.040 5.022 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.563 12.942 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.567 13.895 3.432 1.00 0.00 H new ATOM 0 HG SER A 12 7.787 12.955 1.693 1.00 0.00 H new ATOM 186 N GLY A 13 3.607 11.683 4.761 1.00 0.00 N ATOM 187 CA GLY A 13 2.301 12.067 5.257 1.00 0.00 C ATOM 188 C GLY A 13 1.543 12.915 4.257 1.00 0.00 C ATOM 189 O GLY A 13 0.610 13.631 4.616 1.00 0.00 O ATOM 0 H GLY A 13 3.646 10.754 4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.722 11.172 5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.415 12.620 6.189 1.00 0.00 H new ATOM 193 N THR A 14 1.946 12.819 2.999 1.00 0.00 N ATOM 194 CA THR A 14 1.385 13.635 1.932 1.00 0.00 C ATOM 195 C THR A 14 -0.062 13.250 1.629 1.00 0.00 C ATOM 196 O THR A 14 -0.930 14.116 1.496 1.00 0.00 O ATOM 197 CB THR A 14 2.231 13.496 0.654 1.00 0.00 C ATOM 198 OG1 THR A 14 3.619 13.682 0.975 1.00 0.00 O ATOM 199 CG2 THR A 14 1.810 14.510 -0.394 1.00 0.00 C ATOM 0 H THR A 14 2.672 12.173 2.689 1.00 0.00 H new ATOM 0 HA THR A 14 1.399 14.671 2.271 1.00 0.00 H new ATOM 0 HB THR A 14 2.075 12.498 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.009 12.825 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.425 14.388 -1.286 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.762 14.354 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.940 15.517 0.002 1.00 0.00 H new ATOM 207 N PHE A 15 -0.331 11.957 1.531 1.00 0.00 N ATOM 208 CA PHE A 15 -1.679 11.500 1.240 1.00 0.00 C ATOM 209 C PHE A 15 -2.039 10.301 2.097 1.00 0.00 C ATOM 210 O PHE A 15 -1.188 9.469 2.421 1.00 0.00 O ATOM 211 CB PHE A 15 -1.863 11.177 -0.254 1.00 0.00 C ATOM 212 CG PHE A 15 -0.964 10.092 -0.800 1.00 0.00 C ATOM 213 CD1 PHE A 15 0.290 10.403 -1.300 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.384 8.766 -0.836 1.00 0.00 C ATOM 215 CE1 PHE A 15 1.110 9.418 -1.818 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.568 7.780 -1.356 1.00 0.00 C ATOM 217 CZ PHE A 15 0.680 8.107 -1.847 1.00 0.00 C ATOM 0 H PHE A 15 0.358 11.214 1.647 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.359 12.316 1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.900 10.883 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.694 12.088 -0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.631 11.428 -1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.359 8.505 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.087 9.674 -2.200 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.906 6.755 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.319 7.337 -2.254 1.00 0.00 H new ATOM 227 N LYS A 16 -3.296 10.255 2.496 1.00 0.00 N ATOM 228 CA LYS A 16 -3.825 9.144 3.264 1.00 0.00 C ATOM 229 C LYS A 16 -5.153 8.723 2.656 1.00 0.00 C ATOM 230 O LYS A 16 -6.019 9.564 2.412 1.00 0.00 O ATOM 231 CB LYS A 16 -4.036 9.552 4.724 1.00 0.00 C ATOM 232 CG LYS A 16 -2.837 10.229 5.371 1.00 0.00 C ATOM 233 CD LYS A 16 -3.131 10.598 6.815 1.00 0.00 C ATOM 234 CE LYS A 16 -2.070 11.519 7.399 1.00 0.00 C ATOM 235 NZ LYS A 16 -0.743 10.863 7.508 1.00 0.00 N ATOM 0 H LYS A 16 -3.979 10.986 2.297 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.116 8.316 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.891 10.226 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.292 8.664 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.974 9.564 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.575 11.126 4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.104 11.085 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.192 9.690 7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.982 12.408 6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.388 11.854 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.176 11.346 8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.870 9.866 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.253 10.917 6.592 1.00 0.00 H new ATOM 249 N VAL A 17 -5.321 7.436 2.417 1.00 0.00 N ATOM 250 CA VAL A 17 -6.531 6.939 1.773 1.00 0.00 C ATOM 251 C VAL A 17 -6.970 5.615 2.347 1.00 0.00 C ATOM 252 O VAL A 17 -6.163 4.842 2.855 1.00 0.00 O ATOM 253 CB VAL A 17 -6.359 6.762 0.248 1.00 0.00 C ATOM 254 CG1 VAL A 17 -6.756 8.031 -0.482 1.00 0.00 C ATOM 255 CG2 VAL A 17 -4.932 6.351 -0.097 1.00 0.00 C ATOM 0 H VAL A 17 -4.640 6.715 2.656 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.289 7.698 1.965 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.021 5.961 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.629 7.888 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.799 8.263 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.126 8.855 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.838 6.233 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.239 7.119 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.697 5.406 0.393 1.00 0.00 H new ATOM 265 N ASP A 18 -8.265 5.370 2.263 1.00 0.00 N ATOM 266 CA ASP A 18 -8.823 4.085 2.640 1.00 0.00 C ATOM 267 C ASP A 18 -8.848 3.177 1.431 1.00 0.00 C ATOM 268 O ASP A 18 -9.298 3.570 0.354 1.00 0.00 O ATOM 269 CB ASP A 18 -10.236 4.228 3.216 1.00 0.00 C ATOM 270 CG ASP A 18 -11.194 4.898 2.252 1.00 0.00 C ATOM 271 OD1 ASP A 18 -11.817 4.191 1.430 1.00 0.00 O ATOM 272 OD2 ASP A 18 -11.312 6.140 2.295 1.00 0.00 O ATOM 0 H ASP A 18 -8.953 6.048 1.935 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.193 3.654 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.620 3.242 3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.191 4.807 4.139 1.00 0.00 H new ATOM 277 N ALA A 19 -8.341 1.976 1.607 1.00 0.00 N ATOM 278 CA ALA A 19 -8.268 1.015 0.522 1.00 0.00 C ATOM 279 C ALA A 19 -7.842 -0.353 1.028 1.00 0.00 C ATOM 280 O ALA A 19 -7.246 -0.475 2.098 1.00 0.00 O ATOM 281 CB ALA A 19 -7.298 1.503 -0.538 1.00 0.00 C ATOM 0 H ALA A 19 -7.971 1.638 2.495 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.262 0.920 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.249 0.776 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.639 2.461 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.308 1.623 -0.098 1.00 0.00 H new ATOM 287 N GLU A 20 -8.178 -1.378 0.268 1.00 0.00 N ATOM 288 CA GLU A 20 -7.721 -2.724 0.554 1.00 0.00 C ATOM 289 C GLU A 20 -6.862 -3.205 -0.605 1.00 0.00 C ATOM 290 O GLU A 20 -7.164 -2.916 -1.767 1.00 0.00 O ATOM 291 CB GLU A 20 -8.917 -3.656 0.757 1.00 0.00 C ATOM 292 CG GLU A 20 -8.725 -4.664 1.880 1.00 0.00 C ATOM 293 CD GLU A 20 -7.551 -5.593 1.659 1.00 0.00 C ATOM 294 OE1 GLU A 20 -7.746 -6.648 1.026 1.00 0.00 O ATOM 295 OE2 GLU A 20 -6.432 -5.272 2.116 1.00 0.00 O ATOM 0 H GLU A 20 -8.771 -1.302 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.131 -2.727 1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.802 -3.056 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.109 -4.193 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.583 -4.128 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.633 -5.257 1.985 1.00 0.00 H new ATOM 302 N PHE A 21 -5.785 -3.909 -0.289 1.00 0.00 N ATOM 303 CA PHE A 21 -4.859 -4.390 -1.307 1.00 0.00 C ATOM 304 C PHE A 21 -5.477 -5.521 -2.102 1.00 0.00 C ATOM 305 O PHE A 21 -5.994 -6.489 -1.544 1.00 0.00 O ATOM 306 CB PHE A 21 -3.547 -4.861 -0.684 1.00 0.00 C ATOM 307 CG PHE A 21 -2.689 -5.688 -1.613 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.873 -5.093 -2.566 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.704 -7.070 -1.529 1.00 0.00 C ATOM 310 CE1 PHE A 21 -1.100 -5.861 -3.411 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.931 -7.841 -2.373 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.127 -7.235 -3.313 1.00 0.00 C ATOM 0 H PHE A 21 -5.529 -4.161 0.666 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.647 -3.556 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.978 -3.990 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.770 -5.448 0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.843 -4.016 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.330 -7.552 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.473 -5.385 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.956 -8.918 -2.297 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.519 -7.836 -3.972 1.00 0.00 H new ATOM 322 N ILE A 22 -5.396 -5.399 -3.405 1.00 0.00 N ATOM 323 CA ILE A 22 -5.948 -6.399 -4.295 1.00 0.00 C ATOM 324 C ILE A 22 -4.829 -7.117 -5.040 1.00 0.00 C ATOM 325 O ILE A 22 -4.777 -8.344 -5.078 1.00 0.00 O ATOM 326 CB ILE A 22 -6.907 -5.769 -5.331 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.319 -4.356 -4.912 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.148 -6.633 -5.499 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.079 -3.608 -5.984 1.00 0.00 C ATOM 0 H ILE A 22 -4.951 -4.613 -3.878 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.506 -7.106 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.377 -5.710 -6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.936 -4.417 -4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.426 -3.789 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.813 -6.176 -6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.857 -7.625 -5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.665 -6.718 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.339 -2.614 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.457 -3.516 -6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.989 -4.153 -6.232 1.00 0.00 H new ATOM 341 N GLY A 23 -3.930 -6.338 -5.622 1.00 0.00 N ATOM 342 CA GLY A 23 -2.834 -6.901 -6.384 1.00 0.00 C ATOM 343 C GLY A 23 -1.755 -5.875 -6.648 1.00 0.00 C ATOM 344 O GLY A 23 -2.044 -4.686 -6.760 1.00 0.00 O ATOM 0 H GLY A 23 -3.940 -5.319 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.409 -7.746 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.209 -7.287 -7.332 1.00 0.00 H new ATOM 348 N CYS A 24 -0.515 -6.319 -6.732 1.00 0.00 N ATOM 349 CA CYS A 24 0.606 -5.416 -6.948 1.00 0.00 C ATOM 350 C CYS A 24 1.308 -5.753 -8.261 1.00 0.00 C ATOM 351 O CYS A 24 1.559 -6.923 -8.560 1.00 0.00 O ATOM 352 CB CYS A 24 1.572 -5.489 -5.758 1.00 0.00 C ATOM 353 SG CYS A 24 3.114 -4.579 -5.994 1.00 0.00 S ATOM 0 H CYS A 24 -0.255 -7.302 -6.654 1.00 0.00 H new ATOM 0 HA CYS A 24 0.238 -4.393 -7.021 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.068 -5.103 -4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.808 -6.535 -5.560 1.00 0.00 H new ATOM 0 HG CYS A 24 2.867 -3.456 -6.600 1.00 0.00 H new ATOM 359 N ALA A 25 1.611 -4.729 -9.053 1.00 0.00 N ATOM 360 CA ALA A 25 2.165 -4.935 -10.381 1.00 0.00 C ATOM 361 C ALA A 25 3.180 -3.857 -10.714 1.00 0.00 C ATOM 362 O ALA A 25 2.974 -2.687 -10.382 1.00 0.00 O ATOM 363 CB ALA A 25 1.050 -4.949 -11.415 1.00 0.00 C ATOM 0 H ALA A 25 1.481 -3.750 -8.796 1.00 0.00 H new ATOM 0 HA ALA A 25 2.674 -5.899 -10.397 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.475 -5.104 -12.407 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.354 -5.757 -11.189 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.521 -3.997 -11.392 1.00 0.00 H new ATOM 369 N LYS A 26 4.269 -4.269 -11.369 1.00 0.00 N ATOM 370 CA LYS A 26 5.369 -3.375 -11.745 1.00 0.00 C ATOM 371 C LYS A 26 6.041 -2.775 -10.513 1.00 0.00 C ATOM 372 O LYS A 26 7.108 -3.221 -10.091 1.00 0.00 O ATOM 373 CB LYS A 26 4.876 -2.264 -12.683 1.00 0.00 C ATOM 374 CG LYS A 26 4.561 -2.751 -14.088 1.00 0.00 C ATOM 375 CD LYS A 26 5.825 -3.164 -14.820 1.00 0.00 C ATOM 376 CE LYS A 26 5.517 -3.732 -16.194 1.00 0.00 C ATOM 377 NZ LYS A 26 4.813 -5.039 -16.111 1.00 0.00 N ATOM 0 H LYS A 26 4.414 -5.237 -11.655 1.00 0.00 H new ATOM 0 HA LYS A 26 6.110 -3.971 -12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.982 -1.809 -12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.635 -1.484 -12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.874 -3.596 -14.038 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.056 -1.962 -14.645 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.485 -2.302 -14.922 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.361 -3.908 -14.230 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.902 -3.024 -16.750 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.445 -3.855 -16.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.787 -5.480 -17.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.318 -5.664 -15.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.841 -4.889 -15.772 1.00 0.00 H new ATOM 391 N GLY A 27 5.409 -1.765 -9.949 1.00 0.00 N ATOM 392 CA GLY A 27 5.897 -1.152 -8.739 1.00 0.00 C ATOM 393 C GLY A 27 4.781 -0.474 -7.980 1.00 0.00 C ATOM 394 O GLY A 27 5.024 0.295 -7.054 1.00 0.00 O ATOM 0 H GLY A 27 4.551 -1.352 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.362 -1.909 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.669 -0.423 -8.984 1.00 0.00 H new ATOM 398 N LYS A 28 3.546 -0.756 -8.377 1.00 0.00 N ATOM 399 CA LYS A 28 2.388 -0.131 -7.762 1.00 0.00 C ATOM 400 C LYS A 28 1.531 -1.160 -7.051 1.00 0.00 C ATOM 401 O LYS A 28 1.604 -2.356 -7.337 1.00 0.00 O ATOM 402 CB LYS A 28 1.522 0.550 -8.812 1.00 0.00 C ATOM 403 CG LYS A 28 2.279 1.425 -9.784 1.00 0.00 C ATOM 404 CD LYS A 28 1.313 2.150 -10.703 1.00 0.00 C ATOM 405 CE LYS A 28 2.012 3.155 -11.605 1.00 0.00 C ATOM 406 NZ LYS A 28 2.867 4.099 -10.843 1.00 0.00 N ATOM 0 H LYS A 28 3.323 -1.415 -9.123 1.00 0.00 H new ATOM 0 HA LYS A 28 2.762 0.602 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.987 -0.215 -9.374 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.771 1.157 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.884 2.148 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.965 0.817 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.784 1.421 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.563 2.665 -10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.623 2.622 -12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.265 3.717 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.102 4.915 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.356 4.426 -9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.743 3.618 -10.554 1.00 0.00 H new ATOM 420 N ILE A 29 0.708 -0.676 -6.142 1.00 0.00 N ATOM 421 CA ILE A 29 -0.260 -1.504 -5.454 1.00 0.00 C ATOM 422 C ILE A 29 -1.668 -1.096 -5.868 1.00 0.00 C ATOM 423 O ILE A 29 -2.035 0.079 -5.778 1.00 0.00 O ATOM 424 CB ILE A 29 -0.117 -1.392 -3.912 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.098 -2.178 -3.404 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.372 -1.877 -3.209 1.00 0.00 C ATOM 427 CD1 ILE A 29 2.434 -1.559 -3.746 1.00 0.00 C ATOM 0 H ILE A 29 0.692 0.304 -5.860 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.074 -2.541 -5.734 1.00 0.00 H new ATOM 0 HB ILE A 29 0.031 -0.337 -3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.024 -2.276 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.062 -3.185 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.243 -1.787 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.222 -1.272 -3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.553 -2.920 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.236 -2.181 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.535 -1.486 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.496 -0.563 -3.308 1.00 0.00 H new ATOM 439 N HIS A 30 -2.438 -2.058 -6.362 1.00 0.00 N ATOM 440 CA HIS A 30 -3.837 -1.818 -6.676 1.00 0.00 C ATOM 441 C HIS A 30 -4.650 -1.892 -5.404 1.00 0.00 C ATOM 442 O HIS A 30 -4.524 -2.843 -4.626 1.00 0.00 O ATOM 443 CB HIS A 30 -4.387 -2.824 -7.692 1.00 0.00 C ATOM 444 CG HIS A 30 -3.776 -2.718 -9.057 1.00 0.00 C ATOM 445 ND1 HIS A 30 -4.367 -2.023 -10.086 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.623 -3.223 -9.562 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.611 -2.104 -11.164 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.544 -2.825 -10.876 1.00 0.00 N ATOM 0 H HIS A 30 -2.117 -3.007 -6.552 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.911 -0.827 -7.125 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.225 -3.833 -7.311 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.465 -2.685 -7.777 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.901 -3.826 -9.031 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.829 -1.655 -12.122 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.786 -3.050 -11.521 1.00 0.00 H new ATOM 457 N LEU A 31 -5.477 -0.895 -5.201 1.00 0.00 N ATOM 458 CA LEU A 31 -6.233 -0.765 -3.974 1.00 0.00 C ATOM 459 C LEU A 31 -7.702 -0.528 -4.272 1.00 0.00 C ATOM 460 O LEU A 31 -8.051 0.194 -5.203 1.00 0.00 O ATOM 461 CB LEU A 31 -5.687 0.396 -3.149 1.00 0.00 C ATOM 462 CG LEU A 31 -4.267 0.218 -2.613 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.773 1.503 -1.974 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.226 -0.920 -1.608 1.00 0.00 C ATOM 0 H LEU A 31 -5.646 -0.151 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.135 -1.692 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.714 1.297 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.356 0.564 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.610 -0.026 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.760 1.357 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.773 2.302 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.431 1.775 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.209 -1.038 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.896 -0.696 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.544 -1.844 -2.091 1.00 0.00 H new ATOM 476 N HIS A 32 -8.560 -1.145 -3.488 1.00 0.00 N ATOM 477 CA HIS A 32 -9.989 -0.951 -3.630 1.00 0.00 C ATOM 478 C HIS A 32 -10.518 -0.203 -2.410 1.00 0.00 C ATOM 479 O HIS A 32 -10.525 -0.734 -1.300 1.00 0.00 O ATOM 480 CB HIS A 32 -10.691 -2.301 -3.816 1.00 0.00 C ATOM 481 CG HIS A 32 -12.142 -2.183 -4.170 1.00 0.00 C ATOM 482 ND1 HIS A 32 -13.159 -2.554 -3.322 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.740 -1.757 -5.308 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.320 -2.367 -3.922 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.094 -1.884 -5.129 1.00 0.00 N ATOM 0 H HIS A 32 -8.292 -1.788 -2.743 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.196 -0.352 -4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.180 -2.861 -4.599 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.596 -2.879 -2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.243 -1.386 -6.192 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -15.291 -2.574 -3.497 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.809 -1.644 -5.816 1.00 0.00 H new ATOM 494 N LYS A 33 -10.922 1.044 -2.627 1.00 0.00 N ATOM 495 CA LYS A 33 -11.335 1.934 -1.547 1.00 0.00 C ATOM 496 C LYS A 33 -12.650 1.505 -0.928 1.00 0.00 C ATOM 497 O LYS A 33 -13.368 0.664 -1.477 1.00 0.00 O ATOM 498 CB LYS A 33 -11.488 3.358 -2.064 1.00 0.00 C ATOM 499 CG LYS A 33 -10.247 3.903 -2.734 1.00 0.00 C ATOM 500 CD LYS A 33 -10.243 5.419 -2.753 1.00 0.00 C ATOM 501 CE LYS A 33 -10.045 5.987 -1.357 1.00 0.00 C ATOM 502 NZ LYS A 33 -11.296 6.007 -0.549 1.00 0.00 N ATOM 0 H LYS A 33 -10.973 1.466 -3.554 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.557 1.886 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.315 3.390 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.756 4.009 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.362 3.543 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.188 3.526 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.449 5.775 -3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.184 5.782 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.292 5.396 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.655 7.002 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.263 6.801 0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.115 6.120 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.384 5.114 -0.024 1.00 0.00 H new ATOM 516 N ALA A 34 -12.994 2.144 0.184 1.00 0.00 N ATOM 517 CA ALA A 34 -14.224 1.817 0.900 1.00 0.00 C ATOM 518 C ALA A 34 -15.423 2.344 0.131 1.00 0.00 C ATOM 519 O ALA A 34 -16.551 1.881 0.305 1.00 0.00 O ATOM 520 CB ALA A 34 -14.204 2.390 2.311 1.00 0.00 C ATOM 0 H ALA A 34 -12.442 2.889 0.609 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.300 0.733 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.132 2.132 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.359 1.974 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.107 3.475 2.262 1.00 0.00 H new ATOM 526 N ASN A 35 -15.153 3.312 -0.736 1.00 0.00 N ATOM 527 CA ASN A 35 -16.175 3.898 -1.596 1.00 0.00 C ATOM 528 C ASN A 35 -16.435 2.994 -2.791 1.00 0.00 C ATOM 529 O ASN A 35 -17.349 3.232 -3.579 1.00 0.00 O ATOM 530 CB ASN A 35 -15.720 5.273 -2.096 1.00 0.00 C ATOM 531 CG ASN A 35 -15.232 6.166 -0.975 1.00 0.00 C ATOM 532 OD1 ASN A 35 -14.077 6.077 -0.564 1.00 0.00 O ATOM 533 ND2 ASN A 35 -16.093 7.045 -0.494 1.00 0.00 N ATOM 0 H ASN A 35 -14.223 3.712 -0.863 1.00 0.00 H new ATOM 0 HA ASN A 35 -17.092 4.008 -1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.922 5.144 -2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.548 5.761 -2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.808 7.684 0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -17.042 7.084 -0.865 1.00 0.00 H new ATOM 540 N GLY A 36 -15.613 1.959 -2.932 1.00 0.00 N ATOM 541 CA GLY A 36 -15.723 1.080 -4.078 1.00 0.00 C ATOM 542 C GLY A 36 -14.847 1.537 -5.228 1.00 0.00 C ATOM 543 O GLY A 36 -14.820 0.913 -6.286 1.00 0.00 O ATOM 0 H GLY A 36 -14.874 1.715 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.442 0.068 -3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.762 1.040 -4.406 1.00 0.00 H new ATOM 547 N VAL A 37 -14.132 2.633 -5.015 1.00 0.00 N ATOM 548 CA VAL A 37 -13.240 3.173 -6.031 1.00 0.00 C ATOM 549 C VAL A 37 -11.973 2.326 -6.126 1.00 0.00 C ATOM 550 O VAL A 37 -11.413 1.921 -5.111 1.00 0.00 O ATOM 551 CB VAL A 37 -12.856 4.638 -5.720 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.008 5.230 -6.835 1.00 0.00 C ATOM 553 CG2 VAL A 37 -14.101 5.481 -5.488 1.00 0.00 C ATOM 0 H VAL A 37 -14.153 3.166 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.770 3.148 -6.983 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.261 4.643 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.753 6.261 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.094 4.646 -6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.569 5.208 -7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.809 6.509 -5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.725 5.462 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.662 5.077 -4.645 1.00 0.00 H new ATOM 563 N LYS A 38 -11.539 2.046 -7.341 1.00 0.00 N ATOM 564 CA LYS A 38 -10.334 1.260 -7.549 1.00 0.00 C ATOM 565 C LYS A 38 -9.168 2.187 -7.876 1.00 0.00 C ATOM 566 O LYS A 38 -9.190 2.890 -8.892 1.00 0.00 O ATOM 567 CB LYS A 38 -10.544 0.260 -8.688 1.00 0.00 C ATOM 568 CG LYS A 38 -9.819 -1.064 -8.498 1.00 0.00 C ATOM 569 CD LYS A 38 -9.885 -1.912 -9.760 1.00 0.00 C ATOM 570 CE LYS A 38 -9.445 -3.347 -9.513 1.00 0.00 C ATOM 571 NZ LYS A 38 -10.442 -4.112 -8.712 1.00 0.00 N ATOM 0 H LYS A 38 -12.001 2.350 -8.198 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.109 0.707 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.611 0.065 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.210 0.714 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.778 -0.877 -8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.264 -1.610 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.905 -1.908 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.252 -1.467 -10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.289 -3.847 -10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.487 -3.347 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.168 -5.115 -8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.473 -3.734 -7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.381 -4.022 -9.149 1.00 0.00 H new ATOM 585 N ILE A 39 -8.159 2.196 -7.019 1.00 0.00 N ATOM 586 CA ILE A 39 -6.997 3.054 -7.212 1.00 0.00 C ATOM 587 C ILE A 39 -5.730 2.209 -7.334 1.00 0.00 C ATOM 588 O ILE A 39 -5.766 0.993 -7.135 1.00 0.00 O ATOM 589 CB ILE A 39 -6.822 4.075 -6.055 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.506 3.363 -4.737 1.00 0.00 C ATOM 591 CG2 ILE A 39 -8.074 4.934 -5.904 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.167 4.307 -3.599 1.00 0.00 C ATOM 0 H ILE A 39 -8.120 1.617 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.164 3.613 -8.133 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.981 4.722 -6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.363 2.754 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.669 2.682 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.932 5.643 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.256 5.478 -6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.929 4.295 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.955 3.730 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.291 4.899 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.011 4.972 -3.414 1.00 0.00 H new ATOM 604 N ALA A 40 -4.624 2.849 -7.673 1.00 0.00 N ATOM 605 CA ALA A 40 -3.344 2.168 -7.794 1.00 0.00 C ATOM 606 C ALA A 40 -2.216 3.130 -7.483 1.00 0.00 C ATOM 607 O ALA A 40 -1.962 4.069 -8.239 1.00 0.00 O ATOM 608 CB ALA A 40 -3.170 1.589 -9.190 1.00 0.00 C ATOM 0 H ALA A 40 -4.586 3.849 -7.871 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.320 1.346 -7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.206 1.085 -9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.968 0.874 -9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.211 2.393 -9.925 1.00 0.00 H new ATOM 614 N VAL A 41 -1.554 2.914 -6.365 1.00 0.00 N ATOM 615 CA VAL A 41 -0.474 3.793 -5.953 1.00 0.00 C ATOM 616 C VAL A 41 0.858 3.066 -6.018 1.00 0.00 C ATOM 617 O VAL A 41 0.989 1.944 -5.532 1.00 0.00 O ATOM 618 CB VAL A 41 -0.693 4.362 -4.534 1.00 0.00 C ATOM 619 CG1 VAL A 41 -1.950 5.218 -4.480 1.00 0.00 C ATOM 620 CG2 VAL A 41 -0.764 3.247 -3.509 1.00 0.00 C ATOM 0 H VAL A 41 -1.742 2.141 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.464 4.633 -6.648 1.00 0.00 H new ATOM 0 HB VAL A 41 0.161 4.994 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.082 5.607 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.855 6.049 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.815 4.612 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.919 3.673 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.593 2.582 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.169 2.683 -3.520 1.00 0.00 H new ATOM 630 N ALA A 42 1.831 3.683 -6.672 1.00 0.00 N ATOM 631 CA ALA A 42 3.173 3.134 -6.713 1.00 0.00 C ATOM 632 C ALA A 42 3.749 3.048 -5.305 1.00 0.00 C ATOM 633 O ALA A 42 3.698 4.012 -4.536 1.00 0.00 O ATOM 634 CB ALA A 42 4.060 3.967 -7.620 1.00 0.00 C ATOM 0 H ALA A 42 1.715 4.560 -7.179 1.00 0.00 H new ATOM 0 HA ALA A 42 3.130 2.125 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.063 3.541 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.648 3.970 -8.629 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.107 4.989 -7.244 1.00 0.00 H new ATOM 640 N ALA A 43 4.282 1.875 -4.988 1.00 0.00 N ATOM 641 CA ALA A 43 4.757 1.540 -3.642 1.00 0.00 C ATOM 642 C ALA A 43 5.777 2.537 -3.100 1.00 0.00 C ATOM 643 O ALA A 43 5.909 2.702 -1.889 1.00 0.00 O ATOM 644 CB ALA A 43 5.364 0.146 -3.648 1.00 0.00 C ATOM 0 H ALA A 43 4.400 1.118 -5.662 1.00 0.00 H new ATOM 0 HA ALA A 43 3.891 1.581 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.717 -0.102 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.610 -0.578 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.201 0.117 -4.345 1.00 0.00 H new ATOM 650 N ASP A 44 6.485 3.198 -3.997 1.00 0.00 N ATOM 651 CA ASP A 44 7.571 4.095 -3.614 1.00 0.00 C ATOM 652 C ASP A 44 7.058 5.405 -3.030 1.00 0.00 C ATOM 653 O ASP A 44 7.835 6.192 -2.481 1.00 0.00 O ATOM 654 CB ASP A 44 8.467 4.391 -4.814 1.00 0.00 C ATOM 655 CG ASP A 44 7.704 4.996 -5.975 1.00 0.00 C ATOM 656 OD1 ASP A 44 6.911 4.271 -6.607 1.00 0.00 O ATOM 657 OD2 ASP A 44 7.909 6.190 -6.282 1.00 0.00 O ATOM 0 H ASP A 44 6.330 3.133 -5.003 1.00 0.00 H new ATOM 0 HA ASP A 44 8.145 3.584 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.261 5.073 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.947 3.469 -5.141 1.00 0.00 H new ATOM 662 N LYS A 45 5.764 5.658 -3.140 1.00 0.00 N ATOM 663 CA LYS A 45 5.207 6.879 -2.581 1.00 0.00 C ATOM 664 C LYS A 45 4.522 6.599 -1.261 1.00 0.00 C ATOM 665 O LYS A 45 3.712 7.396 -0.799 1.00 0.00 O ATOM 666 CB LYS A 45 4.197 7.528 -3.519 1.00 0.00 C ATOM 667 CG LYS A 45 4.745 7.886 -4.883 1.00 0.00 C ATOM 668 CD LYS A 45 4.144 6.996 -5.948 1.00 0.00 C ATOM 669 CE LYS A 45 2.625 6.973 -5.858 1.00 0.00 C ATOM 670 NZ LYS A 45 2.027 8.323 -6.048 1.00 0.00 N ATOM 0 H LYS A 45 5.090 5.047 -3.602 1.00 0.00 H new ATOM 0 HA LYS A 45 6.043 7.563 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.353 6.851 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.812 8.432 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.525 8.930 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.830 7.782 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.447 7.350 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.532 5.983 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.229 6.293 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.327 6.580 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.990 8.244 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.316 8.944 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.357 8.725 -6.949 1.00 0.00 H new ATOM 684 N LEU A 46 4.827 5.467 -0.661 1.00 0.00 N ATOM 685 CA LEU A 46 4.166 5.096 0.576 1.00 0.00 C ATOM 686 C LEU A 46 5.127 5.046 1.729 1.00 0.00 C ATOM 687 O LEU A 46 6.307 5.376 1.615 1.00 0.00 O ATOM 688 CB LEU A 46 3.488 3.736 0.462 1.00 0.00 C ATOM 689 CG LEU A 46 2.420 3.644 -0.603 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.900 2.220 -0.704 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.283 4.623 -0.334 1.00 0.00 C ATOM 0 H LEU A 46 5.516 4.797 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 46 3.418 5.867 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.249 2.983 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.042 3.487 1.425 1.00 0.00 H new ATOM 0 HG LEU A 46 2.867 3.919 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.131 2.167 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.720 1.551 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.475 1.919 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.531 4.532 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.830 4.398 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.674 5.640 -0.323 1.00 0.00 H new ATOM 703 N SER A 47 4.585 4.611 2.834 1.00 0.00 N ATOM 704 CA SER A 47 5.343 4.437 4.053 1.00 0.00 C ATOM 705 C SER A 47 5.754 2.981 4.174 1.00 0.00 C ATOM 706 O SER A 47 5.021 2.074 3.779 1.00 0.00 O ATOM 707 CB SER A 47 4.519 4.884 5.267 1.00 0.00 C ATOM 708 OG SER A 47 5.206 4.628 6.484 1.00 0.00 O ATOM 0 H SER A 47 3.599 4.364 2.919 1.00 0.00 H new ATOM 0 HA SER A 47 6.239 5.057 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.301 5.949 5.188 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.562 4.362 5.271 1.00 0.00 H new ATOM 0 HG SER A 47 4.656 4.925 7.239 1.00 0.00 H new ATOM 714 N ASN A 48 6.950 2.773 4.700 1.00 0.00 N ATOM 715 CA ASN A 48 7.547 1.444 4.781 1.00 0.00 C ATOM 716 C ASN A 48 6.703 0.496 5.598 1.00 0.00 C ATOM 717 O ASN A 48 6.781 -0.718 5.423 1.00 0.00 O ATOM 718 CB ASN A 48 8.952 1.528 5.359 1.00 0.00 C ATOM 719 CG ASN A 48 9.022 2.288 6.672 1.00 0.00 C ATOM 720 OD1 ASN A 48 8.827 1.717 7.746 1.00 0.00 O ATOM 721 ND2 ASN A 48 9.329 3.575 6.594 1.00 0.00 N ATOM 0 H ASN A 48 7.535 3.516 5.082 1.00 0.00 H new ATOM 0 HA ASN A 48 7.600 1.048 3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.335 0.519 5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.607 2.011 4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.412 4.132 7.444 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.482 4.008 5.684 1.00 0.00 H new ATOM 728 N GLU A 49 5.901 1.054 6.481 1.00 0.00 N ATOM 729 CA GLU A 49 4.938 0.301 7.226 1.00 0.00 C ATOM 730 C GLU A 49 3.917 -0.318 6.280 1.00 0.00 C ATOM 731 O GLU A 49 3.620 -1.514 6.352 1.00 0.00 O ATOM 732 CB GLU A 49 4.263 1.249 8.200 1.00 0.00 C ATOM 733 CG GLU A 49 5.207 1.827 9.239 1.00 0.00 C ATOM 734 CD GLU A 49 5.702 0.791 10.226 1.00 0.00 C ATOM 735 OE1 GLU A 49 6.520 -0.071 9.839 1.00 0.00 O ATOM 736 OE2 GLU A 49 5.291 0.848 11.405 1.00 0.00 O ATOM 0 H GLU A 49 5.906 2.051 6.697 1.00 0.00 H new ATOM 0 HA GLU A 49 5.420 -0.511 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.807 2.066 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.456 0.721 8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.061 2.279 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.699 2.624 9.781 1.00 0.00 H new ATOM 743 N ASP A 50 3.413 0.503 5.366 1.00 0.00 N ATOM 744 CA ASP A 50 2.464 0.083 4.386 1.00 0.00 C ATOM 745 C ASP A 50 3.083 -0.950 3.455 1.00 0.00 C ATOM 746 O ASP A 50 2.424 -1.922 3.082 1.00 0.00 O ATOM 747 CB ASP A 50 2.005 1.307 3.607 1.00 0.00 C ATOM 748 CG ASP A 50 1.366 2.358 4.495 1.00 0.00 C ATOM 749 OD1 ASP A 50 2.104 3.041 5.234 1.00 0.00 O ATOM 750 OD2 ASP A 50 0.124 2.499 4.468 1.00 0.00 O ATOM 0 H ASP A 50 3.666 1.489 5.298 1.00 0.00 H new ATOM 0 HA ASP A 50 1.608 -0.384 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.858 1.744 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.291 1.000 2.842 1.00 0.00 H new ATOM 755 N LEU A 51 4.361 -0.767 3.098 1.00 0.00 N ATOM 756 CA LEU A 51 5.019 -1.720 2.222 1.00 0.00 C ATOM 757 C LEU A 51 5.269 -3.035 2.940 1.00 0.00 C ATOM 758 O LEU A 51 5.103 -4.097 2.353 1.00 0.00 O ATOM 759 CB LEU A 51 6.339 -1.171 1.660 1.00 0.00 C ATOM 760 CG LEU A 51 6.205 -0.101 0.569 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.911 -0.285 -0.204 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.289 1.295 1.158 1.00 0.00 C ATOM 0 H LEU A 51 4.941 0.016 3.399 1.00 0.00 H new ATOM 0 HA LEU A 51 4.345 -1.895 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.917 -0.753 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.915 -2.004 1.257 1.00 0.00 H new ATOM 0 HG LEU A 51 7.038 -0.220 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.834 0.483 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.904 -1.269 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.065 -0.201 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.191 2.033 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.486 1.434 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.251 1.423 1.655 1.00 0.00 H new ATOM 774 N ALA A 52 5.631 -2.962 4.218 1.00 0.00 N ATOM 775 CA ALA A 52 5.898 -4.156 5.007 1.00 0.00 C ATOM 776 C ALA A 52 4.609 -4.932 5.227 1.00 0.00 C ATOM 777 O ALA A 52 4.618 -6.151 5.403 1.00 0.00 O ATOM 778 CB ALA A 52 6.535 -3.790 6.340 1.00 0.00 C ATOM 0 H ALA A 52 5.746 -2.086 4.728 1.00 0.00 H new ATOM 0 HA ALA A 52 6.599 -4.786 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.726 -4.697 6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.475 -3.268 6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.860 -3.142 6.900 1.00 0.00 H new ATOM 784 N TYR A 53 3.505 -4.210 5.211 1.00 0.00 N ATOM 785 CA TYR A 53 2.193 -4.816 5.322 1.00 0.00 C ATOM 786 C TYR A 53 1.798 -5.524 4.022 1.00 0.00 C ATOM 787 O TYR A 53 1.420 -6.699 4.027 1.00 0.00 O ATOM 788 CB TYR A 53 1.173 -3.733 5.684 1.00 0.00 C ATOM 789 CG TYR A 53 -0.263 -4.127 5.436 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.943 -4.977 6.299 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.935 -3.647 4.323 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.255 -5.336 6.054 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.238 -3.998 4.070 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.899 -4.842 4.938 1.00 0.00 C ATOM 795 OH TYR A 53 -4.203 -5.202 4.683 1.00 0.00 O ATOM 0 H TYR A 53 3.492 -3.194 5.121 1.00 0.00 H new ATOM 0 HA TYR A 53 2.214 -5.572 6.107 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.291 -3.476 6.737 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.396 -2.834 5.110 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.440 -5.363 7.173 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.424 -2.984 3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.773 -5.999 6.732 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.743 -3.615 3.196 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.508 -4.766 3.860 1.00 0.00 H new ATOM 805 N VAL A 54 1.927 -4.833 2.901 1.00 0.00 N ATOM 806 CA VAL A 54 1.462 -5.377 1.635 1.00 0.00 C ATOM 807 C VAL A 54 2.348 -6.532 1.175 1.00 0.00 C ATOM 808 O VAL A 54 1.874 -7.491 0.558 1.00 0.00 O ATOM 809 CB VAL A 54 1.362 -4.281 0.558 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.643 -3.504 0.453 1.00 0.00 C ATOM 811 CG2 VAL A 54 0.976 -4.860 -0.791 1.00 0.00 C ATOM 0 H VAL A 54 2.345 -3.905 2.841 1.00 0.00 H new ATOM 0 HA VAL A 54 0.458 -5.773 1.791 1.00 0.00 H new ATOM 0 HB VAL A 54 0.572 -3.596 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.542 -2.738 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.861 -3.031 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.457 -4.179 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.915 -4.058 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.728 -5.584 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.008 -5.354 -0.711 1.00 0.00 H new ATOM 821 N GLU A 55 3.632 -6.461 1.511 1.00 0.00 N ATOM 822 CA GLU A 55 4.540 -7.569 1.239 1.00 0.00 C ATOM 823 C GLU A 55 4.186 -8.763 2.120 1.00 0.00 C ATOM 824 O GLU A 55 4.461 -9.913 1.779 1.00 0.00 O ATOM 825 CB GLU A 55 6.007 -7.162 1.433 1.00 0.00 C ATOM 826 CG GLU A 55 6.347 -6.639 2.817 1.00 0.00 C ATOM 827 CD GLU A 55 7.746 -6.996 3.280 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.706 -6.320 2.862 1.00 0.00 O ATOM 829 OE2 GLU A 55 7.891 -7.936 4.089 1.00 0.00 O ATOM 0 H GLU A 55 4.064 -5.657 1.967 1.00 0.00 H new ATOM 0 HA GLU A 55 4.421 -7.854 0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.639 -8.024 1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.256 -6.395 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.239 -5.554 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.626 -7.035 3.532 1.00 0.00 H new ATOM 836 N LYS A 56 3.530 -8.485 3.239 1.00 0.00 N ATOM 837 CA LYS A 56 3.070 -9.520 4.129 1.00 0.00 C ATOM 838 C LYS A 56 1.879 -10.237 3.495 1.00 0.00 C ATOM 839 O LYS A 56 1.757 -11.459 3.576 1.00 0.00 O ATOM 840 CB LYS A 56 2.676 -8.900 5.468 1.00 0.00 C ATOM 841 CG LYS A 56 2.273 -9.917 6.499 1.00 0.00 C ATOM 842 CD LYS A 56 0.968 -9.533 7.182 1.00 0.00 C ATOM 843 CE LYS A 56 -0.226 -9.769 6.271 1.00 0.00 C ATOM 844 NZ LYS A 56 -0.522 -11.218 6.114 1.00 0.00 N ATOM 0 H LYS A 56 3.307 -7.538 3.546 1.00 0.00 H new ATOM 0 HA LYS A 56 3.865 -10.245 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.514 -8.317 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.850 -8.206 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.164 -10.893 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.061 -10.012 7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.850 -10.114 8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.003 -8.483 7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.100 -9.261 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.030 -9.330 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.450 -11.335 5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.211 -11.660 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.534 -11.673 7.049 1.00 0.00 H new ATOM 858 N ILE A 57 1.004 -9.453 2.863 1.00 0.00 N ATOM 859 CA ILE A 57 -0.145 -9.998 2.130 1.00 0.00 C ATOM 860 C ILE A 57 0.312 -10.862 0.963 1.00 0.00 C ATOM 861 O ILE A 57 -0.189 -11.968 0.753 1.00 0.00 O ATOM 862 CB ILE A 57 -1.048 -8.874 1.567 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.498 -7.946 2.689 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.258 -9.460 0.838 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.377 -6.815 2.210 1.00 0.00 C ATOM 0 H ILE A 57 1.068 -8.435 2.843 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.710 -10.597 2.844 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.467 -8.296 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.039 -8.526 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.619 -7.531 3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.877 -8.650 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.918 -10.083 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.843 -10.065 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.662 -6.192 3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.831 -6.212 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.273 -7.223 1.742 1.00 0.00 H new ATOM 877 N THR A 58 1.290 -10.361 0.230 1.00 0.00 N ATOM 878 CA THR A 58 1.719 -10.999 -1.008 1.00 0.00 C ATOM 879 C THR A 58 2.609 -12.209 -0.756 1.00 0.00 C ATOM 880 O THR A 58 2.438 -13.257 -1.379 1.00 0.00 O ATOM 881 CB THR A 58 2.479 -10.006 -1.904 1.00 0.00 C ATOM 882 OG1 THR A 58 3.413 -9.258 -1.115 1.00 0.00 O ATOM 883 CG2 THR A 58 1.526 -9.056 -2.608 1.00 0.00 C ATOM 0 H THR A 58 1.805 -9.513 0.468 1.00 0.00 H new ATOM 0 HA THR A 58 0.811 -11.334 -1.509 1.00 0.00 H new ATOM 0 HB THR A 58 3.013 -10.576 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.896 -8.628 -1.690 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.094 -8.367 -3.233 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.837 -9.627 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.962 -8.491 -1.866 1.00 0.00 H new ATOM 891 N GLY A 59 3.549 -12.066 0.161 1.00 0.00 N ATOM 892 CA GLY A 59 4.487 -13.135 0.424 1.00 0.00 C ATOM 893 C GLY A 59 5.881 -12.773 -0.033 1.00 0.00 C ATOM 894 O GLY A 59 6.810 -13.574 0.067 1.00 0.00 O ATOM 0 H GLY A 59 3.680 -11.229 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.499 -13.356 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.160 -14.041 -0.086 1.00 0.00 H new ATOM 898 N PHE A 60 6.015 -11.559 -0.542 1.00 0.00 N ATOM 899 CA PHE A 60 7.298 -11.038 -0.985 1.00 0.00 C ATOM 900 C PHE A 60 7.815 -10.034 0.036 1.00 0.00 C ATOM 901 O PHE A 60 7.315 -9.972 1.157 1.00 0.00 O ATOM 902 CB PHE A 60 7.150 -10.358 -2.351 1.00 0.00 C ATOM 903 CG PHE A 60 6.617 -11.261 -3.427 1.00 0.00 C ATOM 904 CD1 PHE A 60 7.364 -12.339 -3.875 1.00 0.00 C ATOM 905 CD2 PHE A 60 5.367 -11.036 -3.988 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.878 -13.175 -4.861 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.878 -11.871 -4.974 1.00 0.00 C ATOM 908 CZ PHE A 60 5.635 -12.941 -5.411 1.00 0.00 C ATOM 0 H PHE A 60 5.239 -10.908 -0.660 1.00 0.00 H new ATOM 0 HA PHE A 60 8.005 -11.862 -1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.486 -9.500 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.122 -9.974 -2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.338 -12.528 -3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.772 -10.201 -3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.471 -14.011 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.904 -11.687 -5.403 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.254 -13.594 -6.183 1.00 0.00 H new ATOM 918 N SER A 61 8.819 -9.266 -0.343 1.00 0.00 N ATOM 919 CA SER A 61 9.301 -8.196 0.499 1.00 0.00 C ATOM 920 C SER A 61 9.423 -6.913 -0.308 1.00 0.00 C ATOM 921 O SER A 61 9.976 -6.913 -1.411 1.00 0.00 O ATOM 922 CB SER A 61 10.647 -8.560 1.123 1.00 0.00 C ATOM 923 OG SER A 61 11.012 -7.620 2.121 1.00 0.00 O ATOM 0 H SER A 61 9.314 -9.366 -1.229 1.00 0.00 H new ATOM 0 HA SER A 61 8.584 -8.041 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.592 -9.557 1.559 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.414 -8.592 0.350 1.00 0.00 H new ATOM 0 HG SER A 61 10.203 -7.244 2.528 1.00 0.00 H new ATOM 929 N LEU A 62 8.904 -5.824 0.243 1.00 0.00 N ATOM 930 CA LEU A 62 8.972 -4.528 -0.415 1.00 0.00 C ATOM 931 C LEU A 62 10.041 -3.682 0.249 1.00 0.00 C ATOM 932 O LEU A 62 9.944 -2.461 0.308 1.00 0.00 O ATOM 933 CB LEU A 62 7.622 -3.798 -0.385 1.00 0.00 C ATOM 934 CG LEU A 62 6.427 -4.589 -0.932 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.298 -3.649 -1.301 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.821 -5.435 -2.132 1.00 0.00 C ATOM 0 H LEU A 62 8.430 -5.813 1.146 1.00 0.00 H new ATOM 0 HA LEU A 62 9.227 -4.692 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.406 -3.514 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.716 -2.875 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 62 6.087 -5.263 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.457 -4.225 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.983 -3.095 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.641 -2.950 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.950 -5.982 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.198 -4.789 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.597 -6.142 -1.840 1.00 0.00 H new ATOM 948 N GLU A 63 11.043 -4.371 0.772 1.00 0.00 N ATOM 949 CA GLU A 63 12.226 -3.771 1.356 1.00 0.00 C ATOM 950 C GLU A 63 12.785 -2.642 0.488 1.00 0.00 C ATOM 951 O GLU A 63 13.046 -1.544 0.979 1.00 0.00 O ATOM 952 CB GLU A 63 13.248 -4.877 1.493 1.00 0.00 C ATOM 953 CG GLU A 63 14.290 -4.655 2.558 1.00 0.00 C ATOM 954 CD GLU A 63 13.703 -4.297 3.906 1.00 0.00 C ATOM 955 OE1 GLU A 63 13.105 -5.182 4.559 1.00 0.00 O ATOM 956 OE2 GLU A 63 13.834 -3.133 4.317 1.00 0.00 O ATOM 0 H GLU A 63 11.053 -5.391 0.801 1.00 0.00 H new ATOM 0 HA GLU A 63 11.980 -3.325 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.725 -5.809 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.752 -5.006 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.893 -5.557 2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.961 -3.858 2.239 1.00 0.00 H new ATOM 963 N LYS A 64 12.940 -2.917 -0.805 1.00 0.00 N ATOM 964 CA LYS A 64 13.488 -1.939 -1.745 1.00 0.00 C ATOM 965 C LYS A 64 12.554 -0.737 -1.891 1.00 0.00 C ATOM 966 O LYS A 64 12.958 0.329 -2.361 1.00 0.00 O ATOM 967 CB LYS A 64 13.709 -2.588 -3.114 1.00 0.00 C ATOM 968 CG LYS A 64 12.417 -2.926 -3.840 1.00 0.00 C ATOM 969 CD LYS A 64 12.678 -3.558 -5.198 1.00 0.00 C ATOM 970 CE LYS A 64 13.260 -4.959 -5.075 1.00 0.00 C ATOM 971 NZ LYS A 64 13.501 -5.571 -6.411 1.00 0.00 N ATOM 0 H LYS A 64 12.693 -3.812 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 64 14.443 -1.591 -1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.300 -1.915 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.293 -3.499 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.826 -3.608 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.825 -2.020 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.746 -3.601 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.365 -2.929 -5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.197 -4.917 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.578 -5.588 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.898 -6.525 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.603 -5.633 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.171 -4.983 -6.946 1.00 0.00 H new ATOM 985 N PHE A 65 11.308 -0.914 -1.477 1.00 0.00 N ATOM 986 CA PHE A 65 10.306 0.138 -1.600 1.00 0.00 C ATOM 987 C PHE A 65 10.110 0.845 -0.268 1.00 0.00 C ATOM 988 O PHE A 65 9.368 1.822 -0.179 1.00 0.00 O ATOM 989 CB PHE A 65 8.965 -0.426 -2.079 1.00 0.00 C ATOM 990 CG PHE A 65 8.992 -0.982 -3.473 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.100 -0.140 -4.568 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.902 -2.347 -3.690 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.119 -0.648 -5.852 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.920 -2.861 -4.971 1.00 0.00 C ATOM 995 CZ PHE A 65 9.029 -2.011 -6.053 1.00 0.00 C ATOM 0 H PHE A 65 10.965 -1.776 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 65 10.668 0.852 -2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.649 -1.212 -1.393 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.214 0.362 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.170 0.927 -4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.817 -3.017 -2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.204 0.019 -6.697 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.849 -3.927 -5.126 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.044 -2.412 -7.056 1.00 0.00 H new ATOM 1005 N LYS A 66 10.773 0.349 0.768 1.00 0.00 N ATOM 1006 CA LYS A 66 10.630 0.926 2.093 1.00 0.00 C ATOM 1007 C LYS A 66 11.429 2.205 2.212 1.00 0.00 C ATOM 1008 O LYS A 66 12.653 2.194 2.319 1.00 0.00 O ATOM 1009 CB LYS A 66 11.080 -0.034 3.175 1.00 0.00 C ATOM 1010 CG LYS A 66 10.283 -1.323 3.239 1.00 0.00 C ATOM 1011 CD LYS A 66 10.820 -2.234 4.329 1.00 0.00 C ATOM 1012 CE LYS A 66 10.063 -3.548 4.400 1.00 0.00 C ATOM 1013 NZ LYS A 66 10.640 -4.449 5.433 1.00 0.00 N ATOM 0 H LYS A 66 11.410 -0.446 0.715 1.00 0.00 H new ATOM 0 HA LYS A 66 9.570 1.139 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.130 -0.278 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.014 0.468 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.234 -1.098 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.329 -1.833 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.876 -2.434 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.754 -1.726 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.015 -3.354 4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.092 -4.040 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.930 -5.156 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.475 -4.932 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.918 -3.890 6.265 1.00 0.00 H new ATOM 1027 N ALA A 67 10.713 3.293 2.182 1.00 0.00 N ATOM 1028 CA ALA A 67 11.292 4.606 2.387 1.00 0.00 C ATOM 1029 C ALA A 67 11.414 4.873 3.879 1.00 0.00 C ATOM 1030 O ALA A 67 10.409 5.070 4.563 1.00 0.00 O ATOM 1031 CB ALA A 67 10.439 5.670 1.717 1.00 0.00 C ATOM 0 H ALA A 67 9.707 3.303 2.015 1.00 0.00 H new ATOM 0 HA ALA A 67 12.284 4.640 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.886 6.651 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.382 5.470 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.436 5.654 2.143 1.00 0.00 H new ATOM 1037 N ASN A 68 12.639 4.849 4.379 1.00 0.00 N ATOM 1038 CA ASN A 68 12.889 5.015 5.803 1.00 0.00 C ATOM 1039 C ASN A 68 13.153 6.471 6.130 1.00 0.00 C ATOM 1040 O ASN A 68 12.327 7.078 6.841 1.00 0.00 O ATOM 1041 CB ASN A 68 14.073 4.153 6.260 1.00 0.00 C ATOM 1042 CG ASN A 68 13.796 2.670 6.124 1.00 0.00 C ATOM 1043 OD1 ASN A 68 13.220 2.049 7.018 1.00 0.00 O ATOM 1044 ND2 ASN A 68 14.217 2.090 5.012 1.00 0.00 N ATOM 1045 OXT ASN A 68 14.175 7.009 5.660 1.00 0.00 O ATOM 0 H ASN A 68 13.480 4.716 3.817 1.00 0.00 H new ATOM 0 HA ASN A 68 11.998 4.687 6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 68 14.954 4.410 5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 68 14.305 4.382 7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 68 14.069 1.091 4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.690 2.642 4.296 1.00 0.00 H new TER 1052 ASN A 68