USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 594 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00273 (180deg=-0.137) USER MOD Single : A 5 SER OG : rot 180:sc= 0.122 USER MOD Single : A 7 THR OG1 : rot -95:sc= 0.153 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= -0.603 (180deg=-1.98!) USER MOD Single : A 24 SER OG : rot -40:sc= -13! USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -19.9! (180deg=-21.1!) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= -1.37 (180deg=-1.84) USER MOD Single : A 37 TYR OH : rot 150:sc= -1.32 USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= -0.198 (180deg=-0.951) USER MOD Single : A 42 ASN : amide:sc= -5.66! K(o=-5.7!,f=-3.8) USER MOD Single : A 43 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.36) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= -0.0209 (180deg=-0.418) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -3.79! C(o=-3.8!,f=-11!) USER MOD Single : A 62 THR OG1 : rot 63:sc= 1.07 USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0.0163 (180deg=0.0125) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 21:sc= 0.00611 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.610 -6.457 12.062 1.00 0.00 N ATOM 2 CA MET A 1 8.085 -6.409 12.268 1.00 0.00 C ATOM 3 C MET A 1 8.526 -4.956 12.460 1.00 0.00 C ATOM 4 O MET A 1 9.417 -4.665 13.232 1.00 0.00 O ATOM 5 CB MET A 1 8.790 -6.998 11.045 1.00 0.00 C ATOM 6 CG MET A 1 9.176 -8.451 11.329 1.00 0.00 C ATOM 7 SD MET A 1 10.046 -9.135 9.896 1.00 0.00 S ATOM 8 CE MET A 1 8.598 -9.830 9.062 1.00 0.00 C ATOM 0 H1 MET A 1 6.284 -7.443 12.118 1.00 0.00 H new ATOM 0 H2 MET A 1 6.138 -5.894 12.798 1.00 0.00 H new ATOM 0 H3 MET A 1 6.377 -6.068 11.126 1.00 0.00 H new ATOM 0 HA MET A 1 8.347 -6.989 13.153 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.135 -6.948 10.175 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.679 -6.414 10.808 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.812 -8.504 12.213 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.284 -9.040 11.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.908 -10.311 8.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.123 -10.566 9.711 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.890 -9.032 8.838 1.00 0.00 H new ATOM 20 N ALA A 2 7.909 -4.043 11.762 1.00 0.00 N ATOM 21 CA ALA A 2 8.294 -2.611 11.904 1.00 0.00 C ATOM 22 C ALA A 2 9.708 -2.406 11.357 1.00 0.00 C ATOM 23 O ALA A 2 10.686 -2.651 12.034 1.00 0.00 O ATOM 24 CB ALA A 2 8.257 -2.217 13.383 1.00 0.00 C ATOM 0 H ALA A 2 7.155 -4.227 11.100 1.00 0.00 H new ATOM 0 HA ALA A 2 7.595 -1.990 11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.539 -1.169 13.488 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.250 -2.363 13.773 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.956 -2.838 13.943 1.00 0.00 H new ATOM 30 N GLY A 3 9.823 -1.957 10.137 1.00 0.00 N ATOM 31 CA GLY A 3 11.174 -1.735 9.550 1.00 0.00 C ATOM 32 C GLY A 3 11.267 -0.301 9.033 1.00 0.00 C ATOM 33 O GLY A 3 10.444 0.530 9.363 1.00 0.00 O ATOM 0 H GLY A 3 9.040 -1.735 9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.944 -1.914 10.301 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.351 -2.440 8.737 1.00 0.00 H new ATOM 37 N PRO A 4 12.267 -0.056 8.232 1.00 0.00 N ATOM 38 CA PRO A 4 12.414 1.310 7.693 1.00 0.00 C ATOM 39 C PRO A 4 11.347 1.560 6.620 1.00 0.00 C ATOM 40 O PRO A 4 10.246 1.965 6.920 1.00 0.00 O ATOM 41 CB PRO A 4 13.823 1.340 7.098 1.00 0.00 C ATOM 42 CG PRO A 4 14.192 -0.126 6.799 1.00 0.00 C ATOM 43 CD PRO A 4 13.267 -0.995 7.669 1.00 0.00 C ATOM 0 HA PRO A 4 12.283 2.085 8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.850 1.942 6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.532 1.786 7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.056 -0.353 5.742 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.239 -0.318 7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.786 -1.773 7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.826 -1.496 8.460 1.00 0.00 H new ATOM 51 N SER A 5 11.656 1.312 5.377 1.00 0.00 N ATOM 52 CA SER A 5 10.649 1.535 4.298 1.00 0.00 C ATOM 53 C SER A 5 9.449 0.610 4.514 1.00 0.00 C ATOM 54 O SER A 5 9.356 -0.065 5.519 1.00 0.00 O ATOM 55 CB SER A 5 11.280 1.249 2.933 1.00 0.00 C ATOM 56 OG SER A 5 12.578 0.697 3.111 1.00 0.00 O ATOM 0 H SER A 5 12.561 0.965 5.061 1.00 0.00 H new ATOM 0 HA SER A 5 10.315 2.572 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.654 0.557 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.342 2.168 2.351 1.00 0.00 H new ATOM 0 HG SER A 5 12.978 0.514 2.236 1.00 0.00 H new ATOM 62 N VAL A 6 8.532 0.569 3.577 1.00 0.00 N ATOM 63 CA VAL A 6 7.342 -0.315 3.731 1.00 0.00 C ATOM 64 C VAL A 6 6.821 -0.189 5.171 1.00 0.00 C ATOM 65 O VAL A 6 7.269 -0.883 6.053 1.00 0.00 O ATOM 66 CB VAL A 6 7.775 -1.746 3.411 1.00 0.00 C ATOM 67 CG1 VAL A 6 6.924 -2.759 4.182 1.00 0.00 C ATOM 68 CG2 VAL A 6 7.616 -1.998 1.910 1.00 0.00 C ATOM 0 H VAL A 6 8.560 1.111 2.713 1.00 0.00 H new ATOM 0 HA VAL A 6 6.536 -0.032 3.053 1.00 0.00 H new ATOM 0 HB VAL A 6 8.817 -1.867 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.251 -3.770 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.038 -2.590 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.877 -2.640 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.924 -3.017 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.573 -1.860 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.238 -1.296 1.355 1.00 0.00 H new ATOM 78 N THR A 7 5.903 0.733 5.374 1.00 0.00 N ATOM 79 CA THR A 7 5.298 1.049 6.713 1.00 0.00 C ATOM 80 C THR A 7 5.547 2.539 6.887 1.00 0.00 C ATOM 81 O THR A 7 4.674 3.308 7.237 1.00 0.00 O ATOM 82 CB THR A 7 5.932 0.270 7.878 1.00 0.00 C ATOM 83 OG1 THR A 7 7.345 0.416 7.854 1.00 0.00 O ATOM 84 CG2 THR A 7 5.540 -1.211 7.784 1.00 0.00 C ATOM 0 H THR A 7 5.530 1.310 4.620 1.00 0.00 H new ATOM 0 HA THR A 7 4.246 0.766 6.734 1.00 0.00 H new ATOM 0 HB THR A 7 5.563 0.672 8.822 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.744 -0.343 7.380 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.991 -1.760 8.611 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.455 -1.304 7.835 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.895 -1.622 6.839 1.00 0.00 H new ATOM 92 N GLU A 8 6.738 2.944 6.545 1.00 0.00 N ATOM 93 CA GLU A 8 7.101 4.382 6.565 1.00 0.00 C ATOM 94 C GLU A 8 6.991 4.874 5.118 1.00 0.00 C ATOM 95 O GLU A 8 7.071 6.051 4.834 1.00 0.00 O ATOM 96 CB GLU A 8 8.546 4.545 7.041 1.00 0.00 C ATOM 97 CG GLU A 8 8.570 5.005 8.497 1.00 0.00 C ATOM 98 CD GLU A 8 8.048 3.884 9.398 1.00 0.00 C ATOM 99 OE1 GLU A 8 7.384 2.999 8.885 1.00 0.00 O ATOM 100 OE2 GLU A 8 8.321 3.930 10.586 1.00 0.00 O ATOM 0 H GLU A 8 7.489 2.322 6.246 1.00 0.00 H new ATOM 0 HA GLU A 8 6.450 4.944 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.079 3.599 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.064 5.270 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.585 5.275 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.956 5.898 8.617 1.00 0.00 H new ATOM 107 N LEU A 9 6.817 3.947 4.201 1.00 0.00 N ATOM 108 CA LEU A 9 6.704 4.289 2.757 1.00 0.00 C ATOM 109 C LEU A 9 5.240 4.168 2.324 1.00 0.00 C ATOM 110 O LEU A 9 4.771 4.891 1.467 1.00 0.00 O ATOM 111 CB LEU A 9 7.522 3.270 1.950 1.00 0.00 C ATOM 112 CG LEU A 9 9.041 3.519 2.041 1.00 0.00 C ATOM 113 CD1 LEU A 9 9.578 3.876 0.659 1.00 0.00 C ATOM 114 CD2 LEU A 9 9.366 4.651 3.020 1.00 0.00 C ATOM 0 H LEU A 9 6.748 2.950 4.405 1.00 0.00 H new ATOM 0 HA LEU A 9 7.066 5.303 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.301 2.265 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.214 3.309 0.905 1.00 0.00 H new ATOM 0 HG LEU A 9 9.513 2.607 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.652 4.053 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.384 3.054 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.082 4.777 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.445 4.799 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.885 5.570 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.999 4.390 4.013 1.00 0.00 H new ATOM 126 N ILE A 10 4.518 3.244 2.906 1.00 0.00 N ATOM 127 CA ILE A 10 3.091 3.057 2.526 1.00 0.00 C ATOM 128 C ILE A 10 2.282 4.231 3.050 1.00 0.00 C ATOM 129 O ILE A 10 1.664 4.972 2.312 1.00 0.00 O ATOM 130 CB ILE A 10 2.537 1.794 3.191 1.00 0.00 C ATOM 131 CG1 ILE A 10 3.536 0.631 3.022 1.00 0.00 C ATOM 132 CG2 ILE A 10 1.162 1.466 2.589 1.00 0.00 C ATOM 133 CD1 ILE A 10 2.866 -0.600 2.388 1.00 0.00 C ATOM 0 H ILE A 10 4.859 2.611 3.629 1.00 0.00 H new ATOM 0 HA ILE A 10 3.024 2.980 1.441 1.00 0.00 H new ATOM 0 HB ILE A 10 2.406 1.957 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.370 0.954 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.950 0.361 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.764 0.567 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.481 2.299 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.265 1.299 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.599 -1.400 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.048 -0.938 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.475 -0.336 1.405 1.00 0.00 H new ATOM 145 N THR A 11 2.282 4.379 4.340 1.00 0.00 N ATOM 146 CA THR A 11 1.523 5.471 4.981 1.00 0.00 C ATOM 147 C THR A 11 2.116 6.811 4.547 1.00 0.00 C ATOM 148 O THR A 11 1.410 7.783 4.374 1.00 0.00 O ATOM 149 CB THR A 11 1.638 5.289 6.494 1.00 0.00 C ATOM 150 OG1 THR A 11 1.394 3.927 6.818 1.00 0.00 O ATOM 151 CG2 THR A 11 0.614 6.168 7.204 1.00 0.00 C ATOM 0 H THR A 11 2.788 3.774 4.987 1.00 0.00 H new ATOM 0 HA THR A 11 0.473 5.452 4.689 1.00 0.00 H new ATOM 0 HB THR A 11 2.639 5.575 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.468 3.803 7.787 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.703 6.032 8.282 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.796 7.213 6.954 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.390 5.888 6.885 1.00 0.00 H new ATOM 159 N LYS A 12 3.402 6.871 4.334 1.00 0.00 N ATOM 160 CA LYS A 12 3.996 8.151 3.868 1.00 0.00 C ATOM 161 C LYS A 12 3.374 8.456 2.510 1.00 0.00 C ATOM 162 O LYS A 12 3.251 9.594 2.100 1.00 0.00 O ATOM 163 CB LYS A 12 5.512 8.008 3.718 1.00 0.00 C ATOM 164 CG LYS A 12 6.202 8.460 5.008 1.00 0.00 C ATOM 165 CD LYS A 12 5.882 9.933 5.271 1.00 0.00 C ATOM 166 CE LYS A 12 6.932 10.524 6.214 1.00 0.00 C ATOM 167 NZ LYS A 12 6.487 10.351 7.626 1.00 0.00 N ATOM 0 H LYS A 12 4.057 6.100 4.461 1.00 0.00 H new ATOM 0 HA LYS A 12 3.802 8.950 4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.770 6.972 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.862 8.607 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.866 7.849 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.280 8.321 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.869 10.486 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.889 10.027 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.892 10.031 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.079 11.582 5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.201 10.753 8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.581 10.841 7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.369 9.338 7.831 1.00 0.00 H new ATOM 181 N ALA A 13 2.963 7.425 1.820 1.00 0.00 N ATOM 182 CA ALA A 13 2.323 7.605 0.492 1.00 0.00 C ATOM 183 C ALA A 13 0.803 7.645 0.680 1.00 0.00 C ATOM 184 O ALA A 13 0.067 8.031 -0.206 1.00 0.00 O ATOM 185 CB ALA A 13 2.698 6.428 -0.417 1.00 0.00 C ATOM 0 H ALA A 13 3.046 6.456 2.127 1.00 0.00 H new ATOM 0 HA ALA A 13 2.664 8.534 0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.229 6.558 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.781 6.391 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.351 5.497 0.031 1.00 0.00 H new ATOM 191 N VAL A 14 0.328 7.244 1.834 1.00 0.00 N ATOM 192 CA VAL A 14 -1.143 7.256 2.078 1.00 0.00 C ATOM 193 C VAL A 14 -1.644 8.700 2.154 1.00 0.00 C ATOM 194 O VAL A 14 -2.799 8.981 1.902 1.00 0.00 O ATOM 195 CB VAL A 14 -1.471 6.534 3.388 1.00 0.00 C ATOM 196 CG1 VAL A 14 -1.118 7.423 4.584 1.00 0.00 C ATOM 197 CG2 VAL A 14 -2.966 6.215 3.426 1.00 0.00 C ATOM 0 H VAL A 14 0.895 6.910 2.613 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.637 6.741 1.254 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.889 5.614 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.356 6.899 5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.054 7.656 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.693 8.347 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.205 5.701 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.537 7.141 3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.223 5.575 2.582 1.00 0.00 H new ATOM 207 N SER A 15 -0.785 9.619 2.505 1.00 0.00 N ATOM 208 CA SER A 15 -1.212 11.042 2.604 1.00 0.00 C ATOM 209 C SER A 15 -1.509 11.586 1.206 1.00 0.00 C ATOM 210 O SER A 15 -2.500 12.254 0.987 1.00 0.00 O ATOM 211 CB SER A 15 -0.094 11.865 3.245 1.00 0.00 C ATOM 212 OG SER A 15 0.552 11.083 4.242 1.00 0.00 O ATOM 0 H SER A 15 0.195 9.444 2.727 1.00 0.00 H new ATOM 0 HA SER A 15 -2.111 11.109 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.625 12.175 2.487 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.503 12.773 3.687 1.00 0.00 H new ATOM 0 HG SER A 15 1.271 11.607 4.654 1.00 0.00 H new ATOM 218 N ALA A 16 -0.659 11.305 0.257 1.00 0.00 N ATOM 219 CA ALA A 16 -0.897 11.807 -1.124 1.00 0.00 C ATOM 220 C ALA A 16 -2.362 11.577 -1.501 1.00 0.00 C ATOM 221 O ALA A 16 -3.037 12.469 -1.975 1.00 0.00 O ATOM 222 CB ALA A 16 0.007 11.055 -2.103 1.00 0.00 C ATOM 0 H ALA A 16 0.188 10.750 0.379 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.672 12.873 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.167 11.422 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.050 11.217 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.218 9.989 -2.060 1.00 0.00 H new ATOM 228 N SER A 17 -2.859 10.388 -1.291 1.00 0.00 N ATOM 229 CA SER A 17 -4.281 10.103 -1.637 1.00 0.00 C ATOM 230 C SER A 17 -4.604 10.708 -3.004 1.00 0.00 C ATOM 231 O SER A 17 -5.726 11.083 -3.278 1.00 0.00 O ATOM 232 CB SER A 17 -5.196 10.719 -0.578 1.00 0.00 C ATOM 233 OG SER A 17 -6.009 9.701 -0.011 1.00 0.00 O ATOM 0 H SER A 17 -2.342 9.603 -0.895 1.00 0.00 H new ATOM 0 HA SER A 17 -4.438 9.025 -1.671 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.601 11.200 0.198 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.821 11.492 -1.026 1.00 0.00 H new ATOM 0 HG SER A 17 -6.596 10.092 0.670 1.00 0.00 H new ATOM 239 N LYS A 18 -3.627 10.808 -3.863 1.00 0.00 N ATOM 240 CA LYS A 18 -3.877 11.390 -5.211 1.00 0.00 C ATOM 241 C LYS A 18 -5.110 10.731 -5.833 1.00 0.00 C ATOM 242 O LYS A 18 -5.874 11.363 -6.536 1.00 0.00 O ATOM 243 CB LYS A 18 -2.661 11.143 -6.106 1.00 0.00 C ATOM 244 CG LYS A 18 -2.873 11.831 -7.456 1.00 0.00 C ATOM 245 CD LYS A 18 -2.847 13.349 -7.267 1.00 0.00 C ATOM 246 CE LYS A 18 -2.893 14.034 -8.634 1.00 0.00 C ATOM 247 NZ LYS A 18 -4.164 14.800 -8.764 1.00 0.00 N ATOM 0 H LYS A 18 -2.667 10.512 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.048 12.462 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.760 11.527 -5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.514 10.073 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.095 11.528 -8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.826 11.524 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.696 13.665 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.945 13.644 -6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.040 14.703 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.821 13.290 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.195 15.266 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.971 14.151 -8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.214 15.519 -8.015 1.00 0.00 H new ATOM 261 N GLU A 19 -5.313 9.466 -5.581 1.00 0.00 N ATOM 262 CA GLU A 19 -6.497 8.773 -6.161 1.00 0.00 C ATOM 263 C GLU A 19 -7.357 8.202 -5.032 1.00 0.00 C ATOM 264 O GLU A 19 -6.975 7.263 -4.363 1.00 0.00 O ATOM 265 CB GLU A 19 -6.028 7.636 -7.070 1.00 0.00 C ATOM 266 CG GLU A 19 -5.885 8.154 -8.502 1.00 0.00 C ATOM 267 CD GLU A 19 -5.095 7.143 -9.336 1.00 0.00 C ATOM 268 OE1 GLU A 19 -5.001 6.002 -8.915 1.00 0.00 O ATOM 269 OE2 GLU A 19 -4.598 7.528 -10.382 1.00 0.00 O ATOM 0 H GLU A 19 -4.710 8.884 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.085 9.483 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.074 7.244 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.742 6.813 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.869 8.314 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.376 9.118 -8.502 1.00 0.00 H new ATOM 276 N ARG A 20 -8.515 8.762 -4.816 1.00 0.00 N ATOM 277 CA ARG A 20 -9.398 8.250 -3.730 1.00 0.00 C ATOM 278 C ARG A 20 -10.091 6.967 -4.195 1.00 0.00 C ATOM 279 O ARG A 20 -10.825 6.344 -3.454 1.00 0.00 O ATOM 280 CB ARG A 20 -10.453 9.304 -3.391 1.00 0.00 C ATOM 281 CG ARG A 20 -10.940 9.094 -1.956 1.00 0.00 C ATOM 282 CD ARG A 20 -12.417 9.481 -1.857 1.00 0.00 C ATOM 283 NE ARG A 20 -12.832 9.493 -0.426 1.00 0.00 N ATOM 284 CZ ARG A 20 -12.264 10.318 0.411 1.00 0.00 C ATOM 285 NH1 ARG A 20 -12.530 11.594 0.351 1.00 0.00 N ATOM 286 NH2 ARG A 20 -11.430 9.867 1.308 1.00 0.00 N ATOM 0 H ARG A 20 -8.888 9.551 -5.344 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.798 8.038 -2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.033 10.304 -3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.291 9.232 -4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.806 8.053 -1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.348 9.697 -1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.577 10.463 -2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.028 8.774 -2.418 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.560 8.857 -0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.182 11.947 -0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.086 12.239 1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.222 8.870 1.355 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.986 10.512 1.962 1.00 0.00 H new ATOM 300 N LYS A 21 -9.864 6.565 -5.417 1.00 0.00 N ATOM 301 CA LYS A 21 -10.512 5.322 -5.925 1.00 0.00 C ATOM 302 C LYS A 21 -9.435 4.350 -6.410 1.00 0.00 C ATOM 303 O LYS A 21 -9.579 3.707 -7.432 1.00 0.00 O ATOM 304 CB LYS A 21 -11.460 5.654 -7.086 1.00 0.00 C ATOM 305 CG LYS A 21 -11.131 7.036 -7.662 1.00 0.00 C ATOM 306 CD LYS A 21 -9.758 6.997 -8.336 1.00 0.00 C ATOM 307 CE LYS A 21 -9.921 7.221 -9.841 1.00 0.00 C ATOM 308 NZ LYS A 21 -8.934 8.237 -10.302 1.00 0.00 N ATOM 0 H LYS A 21 -9.259 7.043 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.086 4.866 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.371 4.897 -7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.493 5.634 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.893 7.332 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.137 7.783 -6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.111 7.765 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.277 6.036 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.772 6.284 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.934 7.556 -10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.303 8.722 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.772 8.932 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.037 7.767 -10.538 1.00 0.00 H new ATOM 322 N GLY A 22 -8.355 4.236 -5.686 1.00 0.00 N ATOM 323 CA GLY A 22 -7.269 3.306 -6.106 1.00 0.00 C ATOM 324 C GLY A 22 -5.913 3.977 -5.887 1.00 0.00 C ATOM 325 O GLY A 22 -5.431 4.710 -6.728 1.00 0.00 O ATOM 0 H GLY A 22 -8.178 4.747 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.326 2.380 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.390 3.039 -7.156 1.00 0.00 H new ATOM 329 N LEU A 23 -5.293 3.740 -4.762 1.00 0.00 N ATOM 330 CA LEU A 23 -3.972 4.376 -4.501 1.00 0.00 C ATOM 331 C LEU A 23 -3.280 3.687 -3.321 1.00 0.00 C ATOM 332 O LEU A 23 -2.493 4.289 -2.619 1.00 0.00 O ATOM 333 CB LEU A 23 -4.180 5.857 -4.172 1.00 0.00 C ATOM 334 CG LEU A 23 -2.825 6.530 -3.942 1.00 0.00 C ATOM 335 CD1 LEU A 23 -2.589 7.586 -5.022 1.00 0.00 C ATOM 336 CD2 LEU A 23 -2.818 7.200 -2.566 1.00 0.00 C ATOM 0 H LEU A 23 -5.643 3.137 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.346 4.277 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.708 6.350 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.803 5.958 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.035 5.781 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.624 8.065 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.596 7.111 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.379 8.336 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.854 7.680 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.609 7.949 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.987 6.449 -1.795 1.00 0.00 H new ATOM 348 N SER A 24 -3.551 2.430 -3.095 1.00 0.00 N ATOM 349 CA SER A 24 -2.879 1.737 -1.960 1.00 0.00 C ATOM 350 C SER A 24 -1.942 0.655 -2.495 1.00 0.00 C ATOM 351 O SER A 24 -0.762 0.668 -2.234 1.00 0.00 O ATOM 352 CB SER A 24 -3.907 1.105 -1.029 1.00 0.00 C ATOM 353 OG SER A 24 -3.299 0.864 0.230 1.00 0.00 O ATOM 0 H SER A 24 -4.199 1.860 -3.639 1.00 0.00 H new ATOM 0 HA SER A 24 -2.305 2.474 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.766 1.765 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.277 0.172 -1.454 1.00 0.00 H new ATOM 0 HG SER A 24 -2.385 0.536 0.095 1.00 0.00 H new ATOM 359 N LEU A 25 -2.445 -0.278 -3.245 1.00 0.00 N ATOM 360 CA LEU A 25 -1.553 -1.342 -3.782 1.00 0.00 C ATOM 361 C LEU A 25 -0.993 -0.897 -5.130 1.00 0.00 C ATOM 362 O LEU A 25 -0.049 -1.466 -5.640 1.00 0.00 O ATOM 363 CB LEU A 25 -2.348 -2.637 -3.958 1.00 0.00 C ATOM 364 CG LEU A 25 -1.382 -3.815 -4.084 1.00 0.00 C ATOM 365 CD1 LEU A 25 -1.992 -5.050 -3.418 1.00 0.00 C ATOM 366 CD2 LEU A 25 -1.128 -4.107 -5.564 1.00 0.00 C ATOM 0 H LEU A 25 -3.427 -0.353 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.732 -1.516 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.012 -2.787 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.977 -2.572 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.440 -3.567 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.303 -5.890 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.175 -4.842 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.934 -5.299 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.439 -4.947 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.070 -4.355 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.693 -3.227 -6.039 1.00 0.00 H new ATOM 378 N ALA A 26 -1.564 0.121 -5.710 1.00 0.00 N ATOM 379 CA ALA A 26 -1.058 0.602 -7.022 1.00 0.00 C ATOM 380 C ALA A 26 -0.244 1.885 -6.812 1.00 0.00 C ATOM 381 O ALA A 26 0.873 1.845 -6.340 1.00 0.00 O ATOM 382 CB ALA A 26 -2.238 0.871 -7.959 1.00 0.00 C ATOM 0 H ALA A 26 -2.357 0.639 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.418 -0.157 -7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.866 1.224 -8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.804 -0.049 -8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.885 1.630 -7.520 1.00 0.00 H new ATOM 388 N ALA A 27 -0.789 3.025 -7.148 1.00 0.00 N ATOM 389 CA ALA A 27 -0.034 4.297 -6.962 1.00 0.00 C ATOM 390 C ALA A 27 0.723 4.272 -5.631 1.00 0.00 C ATOM 391 O ALA A 27 1.730 4.934 -5.471 1.00 0.00 O ATOM 392 CB ALA A 27 -1.009 5.474 -6.971 1.00 0.00 C ATOM 0 H ALA A 27 -1.724 3.129 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 27 0.683 4.407 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.458 6.404 -6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.537 5.501 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.728 5.357 -6.160 1.00 0.00 H new ATOM 398 N LEU A 28 0.253 3.520 -4.672 1.00 0.00 N ATOM 399 CA LEU A 28 0.959 3.471 -3.363 1.00 0.00 C ATOM 400 C LEU A 28 1.982 2.324 -3.356 1.00 0.00 C ATOM 401 O LEU A 28 3.142 2.534 -3.061 1.00 0.00 O ATOM 402 CB LEU A 28 -0.062 3.274 -2.231 1.00 0.00 C ATOM 403 CG LEU A 28 0.599 2.536 -1.060 1.00 0.00 C ATOM 404 CD1 LEU A 28 1.836 3.314 -0.633 1.00 0.00 C ATOM 405 CD2 LEU A 28 -0.349 2.447 0.123 1.00 0.00 C ATOM 0 H LEU A 28 -0.584 2.941 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 28 1.488 4.412 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.440 4.240 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.918 2.705 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 28 0.861 1.527 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.318 2.802 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.531 3.380 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.545 4.318 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.140 1.920 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.620 3.451 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.248 1.906 -0.171 1.00 0.00 H new ATOM 417 N LYS A 29 1.580 1.110 -3.661 1.00 0.00 N ATOM 418 CA LYS A 29 2.578 -0.003 -3.637 1.00 0.00 C ATOM 419 C LYS A 29 3.305 -0.105 -4.960 1.00 0.00 C ATOM 420 O LYS A 29 3.856 -1.125 -5.319 1.00 0.00 O ATOM 421 CB LYS A 29 1.934 -1.329 -3.199 1.00 0.00 C ATOM 422 CG LYS A 29 1.532 -1.249 -1.703 1.00 0.00 C ATOM 423 CD LYS A 29 2.776 -1.029 -0.839 1.00 0.00 C ATOM 424 CE LYS A 29 3.249 0.424 -0.991 1.00 0.00 C ATOM 425 NZ LYS A 29 3.695 0.990 0.309 1.00 0.00 N ATOM 0 H LYS A 29 0.628 0.848 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 29 3.331 0.227 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.056 -1.537 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.632 -2.152 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.824 -0.434 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.029 -2.168 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.550 -1.242 0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.568 -1.715 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.068 0.468 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.439 1.031 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.222 1.871 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.865 1.191 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.310 0.305 0.793 1.00 0.00 H new ATOM 439 N LYS A 30 3.371 0.992 -5.643 1.00 0.00 N ATOM 440 CA LYS A 30 4.122 1.063 -6.903 1.00 0.00 C ATOM 441 C LYS A 30 5.066 2.266 -6.763 1.00 0.00 C ATOM 442 O LYS A 30 5.695 2.711 -7.702 1.00 0.00 O ATOM 443 CB LYS A 30 3.133 1.226 -8.046 1.00 0.00 C ATOM 444 CG LYS A 30 2.020 0.196 -7.836 1.00 0.00 C ATOM 445 CD LYS A 30 2.406 -1.117 -8.521 1.00 0.00 C ATOM 446 CE LYS A 30 1.845 -1.137 -9.944 1.00 0.00 C ATOM 447 NZ LYS A 30 2.428 -0.010 -10.724 1.00 0.00 N ATOM 0 H LYS A 30 2.921 1.865 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 30 4.705 0.166 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.724 2.236 -8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.626 1.069 -9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.860 0.030 -6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.081 0.570 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.491 -1.221 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.017 -1.963 -7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.080 -2.086 -10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.759 -1.052 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.183 -0.120 -11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.046 0.891 -10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.463 -0.013 -10.618 1.00 0.00 H new ATOM 461 N ALA A 31 5.170 2.762 -5.544 1.00 0.00 N ATOM 462 CA ALA A 31 6.062 3.902 -5.224 1.00 0.00 C ATOM 463 C ALA A 31 7.140 3.383 -4.270 1.00 0.00 C ATOM 464 O ALA A 31 8.276 3.809 -4.313 1.00 0.00 O ATOM 465 CB ALA A 31 5.255 5.005 -4.531 1.00 0.00 C ATOM 0 H ALA A 31 4.651 2.402 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 31 6.509 4.311 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.911 5.843 -4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.458 5.343 -5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.821 4.615 -3.610 1.00 0.00 H new ATOM 471 N LEU A 32 6.783 2.444 -3.414 1.00 0.00 N ATOM 472 CA LEU A 32 7.770 1.858 -2.462 1.00 0.00 C ATOM 473 C LEU A 32 9.125 1.699 -3.141 1.00 0.00 C ATOM 474 O LEU A 32 10.156 1.704 -2.496 1.00 0.00 O ATOM 475 CB LEU A 32 7.298 0.477 -2.042 1.00 0.00 C ATOM 476 CG LEU A 32 6.336 0.576 -0.875 1.00 0.00 C ATOM 477 CD1 LEU A 32 5.732 -0.799 -0.666 1.00 0.00 C ATOM 478 CD2 LEU A 32 7.130 0.963 0.363 1.00 0.00 C ATOM 0 H LEU A 32 5.840 2.061 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 32 7.859 2.520 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.810 -0.018 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.154 -0.137 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 32 5.556 1.314 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.032 -0.766 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.205 -1.106 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.524 -1.515 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.457 1.040 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.885 0.203 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.618 1.924 0.197 1.00 0.00 H new ATOM 490 N ALA A 33 9.137 1.556 -4.437 1.00 0.00 N ATOM 491 CA ALA A 33 10.426 1.401 -5.163 1.00 0.00 C ATOM 492 C ALA A 33 11.184 2.735 -5.182 1.00 0.00 C ATOM 493 O ALA A 33 12.032 2.957 -6.024 1.00 0.00 O ATOM 494 CB ALA A 33 10.132 0.969 -6.600 1.00 0.00 C ATOM 0 H ALA A 33 8.305 1.540 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 33 11.038 0.652 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.069 0.852 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.596 0.020 -6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.521 1.727 -7.090 1.00 0.00 H new ATOM 500 N ALA A 34 10.892 3.632 -4.273 1.00 0.00 N ATOM 501 CA ALA A 34 11.607 4.940 -4.272 1.00 0.00 C ATOM 502 C ALA A 34 12.781 4.895 -3.289 1.00 0.00 C ATOM 503 O ALA A 34 13.177 5.905 -2.740 1.00 0.00 O ATOM 504 CB ALA A 34 10.636 6.047 -3.857 1.00 0.00 C ATOM 0 H ALA A 34 10.195 3.514 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 34 11.989 5.141 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.156 7.005 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.806 6.086 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.254 5.840 -2.857 1.00 0.00 H new ATOM 510 N GLY A 35 13.348 3.740 -3.062 1.00 0.00 N ATOM 511 CA GLY A 35 14.498 3.653 -2.115 1.00 0.00 C ATOM 512 C GLY A 35 15.037 2.220 -2.074 1.00 0.00 C ATOM 513 O GLY A 35 15.255 1.660 -1.018 1.00 0.00 O ATOM 0 H GLY A 35 13.067 2.857 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.287 4.338 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.182 3.960 -1.118 1.00 0.00 H new ATOM 517 N GLY A 36 15.247 1.619 -3.214 1.00 0.00 N ATOM 518 CA GLY A 36 15.763 0.221 -3.233 1.00 0.00 C ATOM 519 C GLY A 36 14.573 -0.729 -3.176 1.00 0.00 C ATOM 520 O GLY A 36 14.327 -1.375 -2.177 1.00 0.00 O ATOM 0 H GLY A 36 15.084 2.035 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.347 0.044 -4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.427 0.050 -2.385 1.00 0.00 H new ATOM 524 N TYR A 37 13.816 -0.797 -4.234 1.00 0.00 N ATOM 525 CA TYR A 37 12.618 -1.676 -4.237 1.00 0.00 C ATOM 526 C TYR A 37 11.944 -1.593 -5.612 1.00 0.00 C ATOM 527 O TYR A 37 12.121 -0.623 -6.319 1.00 0.00 O ATOM 528 CB TYR A 37 11.652 -1.153 -3.175 1.00 0.00 C ATOM 529 CG TYR A 37 11.835 -1.871 -1.851 1.00 0.00 C ATOM 530 CD1 TYR A 37 12.418 -3.147 -1.787 1.00 0.00 C ATOM 531 CD2 TYR A 37 11.415 -1.245 -0.675 1.00 0.00 C ATOM 532 CE1 TYR A 37 12.575 -3.786 -0.552 1.00 0.00 C ATOM 533 CE2 TYR A 37 11.573 -1.886 0.557 1.00 0.00 C ATOM 534 CZ TYR A 37 12.152 -3.155 0.620 1.00 0.00 C ATOM 535 OH TYR A 37 12.307 -3.785 1.838 1.00 0.00 O ATOM 0 H TYR A 37 13.977 -0.280 -5.098 1.00 0.00 H new ATOM 0 HA TYR A 37 12.896 -2.709 -4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.809 -0.084 -3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.626 -1.282 -3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 37 12.746 -3.636 -2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.967 -0.263 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.023 -4.767 -0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.246 -1.398 1.463 1.00 0.00 H new ATOM 0 HH TYR A 37 12.430 -3.113 2.541 1.00 0.00 H new ATOM 545 N ASP A 38 11.165 -2.574 -6.016 1.00 0.00 N ATOM 546 CA ASP A 38 10.516 -2.458 -7.340 1.00 0.00 C ATOM 547 C ASP A 38 9.146 -3.136 -7.302 1.00 0.00 C ATOM 548 O ASP A 38 8.536 -3.362 -8.328 1.00 0.00 O ATOM 549 CB ASP A 38 11.413 -3.099 -8.416 1.00 0.00 C ATOM 550 CG ASP A 38 11.752 -4.531 -8.007 1.00 0.00 C ATOM 551 OD1 ASP A 38 11.388 -4.916 -6.908 1.00 0.00 O ATOM 552 OD2 ASP A 38 12.374 -5.219 -8.800 1.00 0.00 O ATOM 0 H ASP A 38 10.961 -3.425 -5.492 1.00 0.00 H new ATOM 0 HA ASP A 38 10.376 -1.406 -7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.903 -3.095 -9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.327 -2.518 -8.537 1.00 0.00 H new ATOM 557 N VAL A 39 8.646 -3.479 -6.133 1.00 0.00 N ATOM 558 CA VAL A 39 7.328 -4.147 -6.085 1.00 0.00 C ATOM 559 C VAL A 39 7.375 -5.299 -7.072 1.00 0.00 C ATOM 560 O VAL A 39 6.371 -5.749 -7.588 1.00 0.00 O ATOM 561 CB VAL A 39 6.230 -3.167 -6.489 1.00 0.00 C ATOM 562 CG1 VAL A 39 4.881 -3.774 -6.136 1.00 0.00 C ATOM 563 CG2 VAL A 39 6.404 -1.844 -5.737 1.00 0.00 C ATOM 0 H VAL A 39 9.095 -3.323 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 39 7.112 -4.503 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 39 6.289 -2.974 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.086 -3.084 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.754 -4.714 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.835 -3.959 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.616 -1.151 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.345 -2.025 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.375 -1.413 -5.979 1.00 0.00 H new ATOM 573 N GLU A 40 8.558 -5.767 -7.336 1.00 0.00 N ATOM 574 CA GLU A 40 8.736 -6.877 -8.284 1.00 0.00 C ATOM 575 C GLU A 40 9.645 -7.901 -7.628 1.00 0.00 C ATOM 576 O GLU A 40 9.202 -8.895 -7.087 1.00 0.00 O ATOM 577 CB GLU A 40 9.379 -6.338 -9.557 1.00 0.00 C ATOM 578 CG GLU A 40 8.321 -5.632 -10.406 1.00 0.00 C ATOM 579 CD GLU A 40 7.604 -6.659 -11.285 1.00 0.00 C ATOM 580 OE1 GLU A 40 7.502 -7.800 -10.866 1.00 0.00 O ATOM 581 OE2 GLU A 40 7.170 -6.286 -12.363 1.00 0.00 O ATOM 0 H GLU A 40 9.422 -5.415 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 40 7.782 -7.337 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.181 -5.644 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.829 -7.154 -10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.603 -5.124 -9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.788 -4.868 -11.028 1.00 0.00 H new ATOM 588 N LYS A 41 10.914 -7.623 -7.611 1.00 0.00 N ATOM 589 CA LYS A 41 11.863 -8.525 -6.921 1.00 0.00 C ATOM 590 C LYS A 41 11.840 -8.139 -5.441 1.00 0.00 C ATOM 591 O LYS A 41 12.629 -8.609 -4.647 1.00 0.00 O ATOM 592 CB LYS A 41 13.270 -8.319 -7.487 1.00 0.00 C ATOM 593 CG LYS A 41 13.571 -9.407 -8.520 1.00 0.00 C ATOM 594 CD LYS A 41 14.915 -9.118 -9.190 1.00 0.00 C ATOM 595 CE LYS A 41 14.726 -8.058 -10.277 1.00 0.00 C ATOM 596 NZ LYS A 41 13.869 -8.611 -11.364 1.00 0.00 N ATOM 0 H LYS A 41 11.335 -6.804 -8.049 1.00 0.00 H new ATOM 0 HA LYS A 41 11.587 -9.570 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.347 -7.334 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.005 -8.353 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.596 -10.384 -8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.780 -9.441 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.635 -8.770 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.321 -10.032 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.265 -7.166 -9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.693 -7.757 -10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.095 -8.134 -12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.046 -9.631 -11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.868 -8.454 -11.131 1.00 0.00 H new ATOM 610 N ASN A 42 10.926 -7.267 -5.073 1.00 0.00 N ATOM 611 CA ASN A 42 10.820 -6.819 -3.677 1.00 0.00 C ATOM 612 C ASN A 42 9.342 -6.721 -3.347 1.00 0.00 C ATOM 613 O ASN A 42 8.945 -6.067 -2.408 1.00 0.00 O ATOM 614 CB ASN A 42 11.462 -5.448 -3.564 1.00 0.00 C ATOM 615 CG ASN A 42 12.921 -5.550 -4.011 1.00 0.00 C ATOM 616 OD1 ASN A 42 13.651 -6.422 -3.584 1.00 0.00 O ATOM 617 ND2 ASN A 42 13.365 -4.674 -4.866 1.00 0.00 N ATOM 0 H ASN A 42 10.244 -6.849 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 42 11.317 -7.507 -2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.927 -4.728 -4.183 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.406 -5.088 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.334 -4.716 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.744 -3.946 -5.219 1.00 0.00 H new ATOM 624 N ASN A 43 8.519 -7.381 -4.120 1.00 0.00 N ATOM 625 CA ASN A 43 7.067 -7.348 -3.845 1.00 0.00 C ATOM 626 C ASN A 43 6.835 -8.057 -2.518 1.00 0.00 C ATOM 627 O ASN A 43 5.766 -8.008 -1.952 1.00 0.00 O ATOM 628 CB ASN A 43 6.310 -8.072 -4.961 1.00 0.00 C ATOM 629 CG ASN A 43 6.728 -9.543 -4.994 1.00 0.00 C ATOM 630 OD1 ASN A 43 7.561 -9.933 -5.789 1.00 0.00 O ATOM 631 ND2 ASN A 43 6.182 -10.383 -4.158 1.00 0.00 N ATOM 0 H ASN A 43 8.797 -7.939 -4.927 1.00 0.00 H new ATOM 0 HA ASN A 43 6.708 -6.320 -3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.235 -7.992 -4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.521 -7.602 -5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.454 -11.366 -4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.483 -10.057 -3.491 1.00 0.00 H new ATOM 638 N SER A 44 7.842 -8.718 -2.012 1.00 0.00 N ATOM 639 CA SER A 44 7.685 -9.420 -0.721 1.00 0.00 C ATOM 640 C SER A 44 7.494 -8.389 0.385 1.00 0.00 C ATOM 641 O SER A 44 6.953 -8.695 1.428 1.00 0.00 O ATOM 642 CB SER A 44 8.927 -10.265 -0.437 1.00 0.00 C ATOM 643 OG SER A 44 8.545 -11.625 -0.286 1.00 0.00 O ATOM 0 H SER A 44 8.763 -8.798 -2.442 1.00 0.00 H new ATOM 0 HA SER A 44 6.816 -10.076 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.643 -10.165 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.422 -9.912 0.467 1.00 0.00 H new ATOM 0 HG SER A 44 9.339 -12.170 -0.106 1.00 0.00 H new ATOM 649 N ARG A 45 7.893 -7.157 0.173 1.00 0.00 N ATOM 650 CA ARG A 45 7.661 -6.154 1.243 1.00 0.00 C ATOM 651 C ARG A 45 6.527 -5.240 0.801 1.00 0.00 C ATOM 652 O ARG A 45 5.998 -4.470 1.574 1.00 0.00 O ATOM 653 CB ARG A 45 8.911 -5.325 1.550 1.00 0.00 C ATOM 654 CG ARG A 45 9.940 -6.202 2.266 1.00 0.00 C ATOM 655 CD ARG A 45 10.412 -5.503 3.542 1.00 0.00 C ATOM 656 NE ARG A 45 9.250 -5.281 4.448 1.00 0.00 N ATOM 657 CZ ARG A 45 9.204 -5.876 5.609 1.00 0.00 C ATOM 658 NH1 ARG A 45 9.997 -5.490 6.571 1.00 0.00 N ATOM 659 NH2 ARG A 45 8.365 -6.855 5.808 1.00 0.00 N ATOM 0 H ARG A 45 8.355 -6.816 -0.670 1.00 0.00 H new ATOM 0 HA ARG A 45 7.403 -6.682 2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.334 -4.929 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.649 -4.470 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.501 -7.169 2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.789 -6.394 1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.166 -6.109 4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.881 -4.551 3.295 1.00 0.00 H new ATOM 0 HE ARG A 45 8.490 -4.664 4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.652 -4.724 6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.962 -5.954 7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.745 -7.156 5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.329 -7.320 6.715 1.00 0.00 H new ATOM 673 N ILE A 46 6.139 -5.331 -0.440 1.00 0.00 N ATOM 674 CA ILE A 46 5.020 -4.488 -0.923 1.00 0.00 C ATOM 675 C ILE A 46 3.699 -5.135 -0.494 1.00 0.00 C ATOM 676 O ILE A 46 2.854 -4.497 0.089 1.00 0.00 O ATOM 677 CB ILE A 46 5.087 -4.392 -2.453 1.00 0.00 C ATOM 678 CG1 ILE A 46 5.995 -3.229 -2.861 1.00 0.00 C ATOM 679 CG2 ILE A 46 3.675 -4.152 -3.018 1.00 0.00 C ATOM 680 CD1 ILE A 46 7.255 -3.219 -1.990 1.00 0.00 C ATOM 0 H ILE A 46 6.550 -5.953 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 46 5.088 -3.485 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 46 5.489 -5.324 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.270 -3.322 -3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.461 -2.285 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.725 -4.084 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.025 -4.980 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.275 -3.222 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.896 -2.389 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.973 -3.104 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.794 -4.157 -2.119 1.00 0.00 H new ATOM 692 N LYS A 47 3.517 -6.399 -0.778 1.00 0.00 N ATOM 693 CA LYS A 47 2.249 -7.073 -0.379 1.00 0.00 C ATOM 694 C LYS A 47 2.384 -7.578 1.057 1.00 0.00 C ATOM 695 O LYS A 47 1.555 -8.314 1.553 1.00 0.00 O ATOM 696 CB LYS A 47 1.970 -8.246 -1.317 1.00 0.00 C ATOM 697 CG LYS A 47 1.450 -7.717 -2.656 1.00 0.00 C ATOM 698 CD LYS A 47 1.579 -8.808 -3.721 1.00 0.00 C ATOM 699 CE LYS A 47 0.218 -9.044 -4.379 1.00 0.00 C ATOM 700 NZ LYS A 47 -0.548 -10.050 -3.590 1.00 0.00 N ATOM 0 H LYS A 47 4.189 -6.990 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 47 1.422 -6.366 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.880 -8.826 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.237 -8.917 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.408 -7.411 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.015 -6.834 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.311 -8.513 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.941 -9.731 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.339 -8.108 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.353 -9.395 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.473 -10.211 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.018 -10.944 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.688 -9.698 -2.621 1.00 0.00 H new ATOM 714 N LEU A 48 3.417 -7.161 1.733 1.00 0.00 N ATOM 715 CA LEU A 48 3.616 -7.574 3.147 1.00 0.00 C ATOM 716 C LEU A 48 3.430 -6.327 3.996 1.00 0.00 C ATOM 717 O LEU A 48 2.763 -6.336 5.011 1.00 0.00 O ATOM 718 CB LEU A 48 5.028 -8.131 3.338 1.00 0.00 C ATOM 719 CG LEU A 48 5.046 -9.616 2.969 1.00 0.00 C ATOM 720 CD1 LEU A 48 4.299 -10.418 4.036 1.00 0.00 C ATOM 721 CD2 LEU A 48 4.361 -9.812 1.614 1.00 0.00 C ATOM 0 H LEU A 48 4.139 -6.545 1.361 1.00 0.00 H new ATOM 0 HA LEU A 48 2.909 -8.353 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.734 -7.582 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.346 -7.999 4.372 1.00 0.00 H new ATOM 0 HG LEU A 48 6.078 -9.962 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.312 -11.475 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.784 -10.279 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.267 -10.072 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.373 -10.869 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.330 -9.465 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.892 -9.242 0.852 1.00 0.00 H new ATOM 733 N GLY A 49 3.982 -5.234 3.546 1.00 0.00 N ATOM 734 CA GLY A 49 3.807 -3.958 4.273 1.00 0.00 C ATOM 735 C GLY A 49 2.472 -3.376 3.828 1.00 0.00 C ATOM 736 O GLY A 49 1.855 -2.600 4.526 1.00 0.00 O ATOM 0 H GLY A 49 4.549 -5.176 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.817 -4.123 5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.622 -3.270 4.048 1.00 0.00 H new ATOM 740 N LEU A 50 2.017 -3.780 2.665 1.00 0.00 N ATOM 741 CA LEU A 50 0.709 -3.292 2.154 1.00 0.00 C ATOM 742 C LEU A 50 -0.385 -4.195 2.693 1.00 0.00 C ATOM 743 O LEU A 50 -1.338 -3.750 3.301 1.00 0.00 O ATOM 744 CB LEU A 50 0.674 -3.346 0.634 1.00 0.00 C ATOM 745 CG LEU A 50 -0.651 -2.759 0.161 1.00 0.00 C ATOM 746 CD1 LEU A 50 -0.534 -1.245 0.125 1.00 0.00 C ATOM 747 CD2 LEU A 50 -0.987 -3.275 -1.236 1.00 0.00 C ATOM 0 H LEU A 50 2.503 -4.431 2.049 1.00 0.00 H new ATOM 0 HA LEU A 50 0.563 -2.261 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.509 -2.784 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.778 -4.375 0.289 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.444 -3.058 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.477 -0.815 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.303 -0.874 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.262 -0.958 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.935 -2.849 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.199 -2.983 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.066 -4.362 -1.213 1.00 0.00 H new ATOM 759 N LYS A 51 -0.244 -5.476 2.498 1.00 0.00 N ATOM 760 CA LYS A 51 -1.260 -6.405 3.039 1.00 0.00 C ATOM 761 C LYS A 51 -1.434 -6.045 4.507 1.00 0.00 C ATOM 762 O LYS A 51 -2.456 -6.290 5.108 1.00 0.00 O ATOM 763 CB LYS A 51 -0.765 -7.847 2.908 1.00 0.00 C ATOM 764 CG LYS A 51 -1.560 -8.753 3.851 1.00 0.00 C ATOM 765 CD LYS A 51 -0.797 -8.917 5.167 1.00 0.00 C ATOM 766 CE LYS A 51 -0.551 -10.404 5.431 1.00 0.00 C ATOM 767 NZ LYS A 51 -1.858 -11.108 5.561 1.00 0.00 N ATOM 0 H LYS A 51 0.526 -5.912 1.991 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.203 -6.323 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.878 -8.188 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.297 -7.900 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.544 -8.324 4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.720 -9.727 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.152 -8.383 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.367 -8.480 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.029 -10.838 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.035 -10.531 6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.745 -11.939 6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.560 -10.463 5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.182 -11.414 4.622 1.00 0.00 H new ATOM 781 N SER A 52 -0.421 -5.452 5.082 1.00 0.00 N ATOM 782 CA SER A 52 -0.498 -5.053 6.505 1.00 0.00 C ATOM 783 C SER A 52 -0.831 -3.568 6.614 1.00 0.00 C ATOM 784 O SER A 52 -1.369 -3.143 7.608 1.00 0.00 O ATOM 785 CB SER A 52 0.836 -5.335 7.196 1.00 0.00 C ATOM 786 OG SER A 52 0.671 -5.208 8.603 1.00 0.00 O ATOM 0 H SER A 52 0.459 -5.228 4.618 1.00 0.00 H new ATOM 0 HA SER A 52 -1.284 -5.630 6.992 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.183 -6.338 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.596 -4.638 6.843 1.00 0.00 H new ATOM 0 HG SER A 52 1.524 -5.390 9.050 1.00 0.00 H new ATOM 792 N LEU A 53 -0.554 -2.751 5.625 1.00 0.00 N ATOM 793 CA LEU A 53 -0.939 -1.329 5.803 1.00 0.00 C ATOM 794 C LEU A 53 -2.445 -1.233 5.605 1.00 0.00 C ATOM 795 O LEU A 53 -3.184 -0.920 6.517 1.00 0.00 O ATOM 796 CB LEU A 53 -0.219 -0.433 4.801 1.00 0.00 C ATOM 797 CG LEU A 53 0.483 0.699 5.559 1.00 0.00 C ATOM 798 CD1 LEU A 53 -0.459 1.283 6.620 1.00 0.00 C ATOM 799 CD2 LEU A 53 1.733 0.141 6.241 1.00 0.00 C ATOM 0 H LEU A 53 -0.100 -2.996 4.745 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.656 -0.991 6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.508 -1.013 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.930 -0.022 4.084 1.00 0.00 H new ATOM 0 HG LEU A 53 0.761 1.487 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.048 2.087 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.353 1.676 6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.742 0.501 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.239 0.940 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.446 -0.646 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.406 -0.269 5.488 1.00 0.00 H new ATOM 811 N VAL A 54 -2.910 -1.529 4.427 1.00 0.00 N ATOM 812 CA VAL A 54 -4.372 -1.484 4.181 1.00 0.00 C ATOM 813 C VAL A 54 -5.087 -2.375 5.204 1.00 0.00 C ATOM 814 O VAL A 54 -5.941 -1.931 5.944 1.00 0.00 O ATOM 815 CB VAL A 54 -4.653 -2.010 2.773 1.00 0.00 C ATOM 816 CG1 VAL A 54 -6.157 -2.202 2.575 1.00 0.00 C ATOM 817 CG2 VAL A 54 -4.132 -1.011 1.742 1.00 0.00 C ATOM 0 H VAL A 54 -2.341 -1.800 3.625 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.732 -0.459 4.275 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.149 -2.968 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.347 -2.577 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.532 -2.919 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.666 -1.248 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.332 -1.386 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.633 -0.053 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.058 -0.880 1.873 1.00 0.00 H new ATOM 827 N SER A 55 -4.756 -3.639 5.228 1.00 0.00 N ATOM 828 CA SER A 55 -5.428 -4.580 6.177 1.00 0.00 C ATOM 829 C SER A 55 -5.309 -4.091 7.627 1.00 0.00 C ATOM 830 O SER A 55 -6.289 -4.044 8.342 1.00 0.00 O ATOM 831 CB SER A 55 -4.793 -5.964 6.059 1.00 0.00 C ATOM 832 OG SER A 55 -5.698 -6.938 6.561 1.00 0.00 O ATOM 0 H SER A 55 -4.047 -4.063 4.630 1.00 0.00 H new ATOM 0 HA SER A 55 -6.485 -4.627 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.550 -6.178 5.018 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.858 -5.997 6.618 1.00 0.00 H new ATOM 0 HG SER A 55 -5.295 -7.828 6.486 1.00 0.00 H new ATOM 838 N LYS A 56 -4.127 -3.741 8.077 1.00 0.00 N ATOM 839 CA LYS A 56 -3.984 -3.273 9.491 1.00 0.00 C ATOM 840 C LYS A 56 -5.146 -2.345 9.825 1.00 0.00 C ATOM 841 O LYS A 56 -5.682 -2.366 10.915 1.00 0.00 O ATOM 842 CB LYS A 56 -2.666 -2.515 9.670 1.00 0.00 C ATOM 843 CG LYS A 56 -2.671 -1.780 11.013 1.00 0.00 C ATOM 844 CD LYS A 56 -1.263 -1.262 11.315 1.00 0.00 C ATOM 845 CE LYS A 56 -1.228 -0.663 12.721 1.00 0.00 C ATOM 846 NZ LYS A 56 -0.955 -1.741 13.715 1.00 0.00 N ATOM 0 H LYS A 56 -3.265 -3.759 7.533 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.987 -4.137 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.827 -3.210 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.531 -1.803 8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.377 -0.950 10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.001 -2.451 11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.541 -2.075 11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.976 -0.509 10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.457 0.105 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.179 -0.179 12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.931 -1.333 14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.705 -2.459 13.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.038 -2.183 13.504 1.00 0.00 H new ATOM 860 N GLY A 57 -5.546 -1.537 8.887 1.00 0.00 N ATOM 861 CA GLY A 57 -6.689 -0.616 9.148 1.00 0.00 C ATOM 862 C GLY A 57 -6.355 0.804 8.696 1.00 0.00 C ATOM 863 O GLY A 57 -7.235 1.615 8.486 1.00 0.00 O ATOM 0 H GLY A 57 -5.136 -1.472 7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.575 -0.971 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.928 -0.617 10.212 1.00 0.00 H new ATOM 867 N THR A 58 -5.102 1.121 8.531 1.00 0.00 N ATOM 868 CA THR A 58 -4.756 2.492 8.083 1.00 0.00 C ATOM 869 C THR A 58 -5.493 2.747 6.780 1.00 0.00 C ATOM 870 O THR A 58 -6.473 3.458 6.725 1.00 0.00 O ATOM 871 CB THR A 58 -3.245 2.593 7.853 1.00 0.00 C ATOM 872 OG1 THR A 58 -2.575 2.567 9.105 1.00 0.00 O ATOM 873 CG2 THR A 58 -2.924 3.901 7.126 1.00 0.00 C ATOM 0 H THR A 58 -4.311 0.495 8.686 1.00 0.00 H new ATOM 0 HA THR A 58 -5.041 3.227 8.835 1.00 0.00 H new ATOM 0 HB THR A 58 -2.912 1.752 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.608 2.630 8.960 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.849 3.972 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.439 3.919 6.165 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.256 4.745 7.731 1.00 0.00 H new ATOM 881 N LEU A 59 -5.023 2.144 5.737 1.00 0.00 N ATOM 882 CA LEU A 59 -5.657 2.299 4.410 1.00 0.00 C ATOM 883 C LEU A 59 -6.806 1.290 4.277 1.00 0.00 C ATOM 884 O LEU A 59 -6.629 0.195 3.788 1.00 0.00 O ATOM 885 CB LEU A 59 -4.581 2.017 3.357 1.00 0.00 C ATOM 886 CG LEU A 59 -4.827 2.790 2.051 1.00 0.00 C ATOM 887 CD1 LEU A 59 -5.570 4.101 2.308 1.00 0.00 C ATOM 888 CD2 LEU A 59 -3.483 3.115 1.400 1.00 0.00 C ATOM 0 H LEU A 59 -4.205 1.535 5.748 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.063 3.302 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.604 2.287 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.555 0.948 3.145 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.437 2.165 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.727 4.621 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.534 3.888 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.979 4.729 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.651 3.663 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.888 3.725 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.951 2.189 1.182 1.00 0.00 H new ATOM 900 N VAL A 60 -7.978 1.643 4.728 1.00 0.00 N ATOM 901 CA VAL A 60 -9.127 0.694 4.646 1.00 0.00 C ATOM 902 C VAL A 60 -9.602 0.535 3.200 1.00 0.00 C ATOM 903 O VAL A 60 -9.851 1.491 2.499 1.00 0.00 O ATOM 904 CB VAL A 60 -10.293 1.207 5.491 1.00 0.00 C ATOM 905 CG1 VAL A 60 -11.417 0.168 5.492 1.00 0.00 C ATOM 906 CG2 VAL A 60 -9.823 1.448 6.926 1.00 0.00 C ATOM 0 H VAL A 60 -8.191 2.547 5.150 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.789 -0.272 5.021 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.660 2.143 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.249 0.533 6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.756 -0.002 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.047 -0.767 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.657 1.814 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.454 0.514 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.023 2.188 6.927 1.00 0.00 H new ATOM 916 N GLN A 61 -9.744 -0.682 2.773 1.00 0.00 N ATOM 917 CA GLN A 61 -10.221 -0.975 1.386 1.00 0.00 C ATOM 918 C GLN A 61 -11.491 -1.830 1.451 1.00 0.00 C ATOM 919 O GLN A 61 -12.097 -1.985 2.493 1.00 0.00 O ATOM 920 CB GLN A 61 -9.135 -1.744 0.619 1.00 0.00 C ATOM 921 CG GLN A 61 -8.941 -3.129 1.253 1.00 0.00 C ATOM 922 CD GLN A 61 -8.415 -4.114 0.205 1.00 0.00 C ATOM 923 OE1 GLN A 61 -9.085 -5.067 -0.140 1.00 0.00 O ATOM 924 NE2 GLN A 61 -7.234 -3.928 -0.315 1.00 0.00 N ATOM 0 H GLN A 61 -9.547 -1.510 3.335 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.435 -0.037 0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.420 -1.849 -0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.198 -1.188 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.241 -3.062 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.886 -3.488 1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.670 -3.129 -0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.874 -4.582 -1.010 1.00 0.00 H new ATOM 933 N THR A 62 -11.892 -2.391 0.341 1.00 0.00 N ATOM 934 CA THR A 62 -13.115 -3.245 0.326 1.00 0.00 C ATOM 935 C THR A 62 -12.995 -4.267 -0.808 1.00 0.00 C ATOM 936 O THR A 62 -13.903 -4.445 -1.594 1.00 0.00 O ATOM 937 CB THR A 62 -14.353 -2.375 0.092 1.00 0.00 C ATOM 938 OG1 THR A 62 -14.525 -2.167 -1.303 1.00 0.00 O ATOM 939 CG2 THR A 62 -14.177 -1.027 0.792 1.00 0.00 C ATOM 0 H THR A 62 -11.423 -2.294 -0.559 1.00 0.00 H new ATOM 0 HA THR A 62 -13.212 -3.758 1.283 1.00 0.00 H new ATOM 0 HB THR A 62 -15.231 -2.878 0.498 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.692 -3.026 -1.744 1.00 0.00 H new ATOM 0 HG21 THR A 62 -15.060 -0.411 0.623 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.046 -1.187 1.862 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.299 -0.520 0.391 1.00 0.00 H new ATOM 947 N LYS A 63 -11.876 -4.932 -0.902 1.00 0.00 N ATOM 948 CA LYS A 63 -11.690 -5.933 -1.991 1.00 0.00 C ATOM 949 C LYS A 63 -12.176 -7.308 -1.525 1.00 0.00 C ATOM 950 O LYS A 63 -11.394 -8.213 -1.315 1.00 0.00 O ATOM 951 CB LYS A 63 -10.206 -6.019 -2.351 1.00 0.00 C ATOM 952 CG LYS A 63 -10.053 -6.359 -3.836 1.00 0.00 C ATOM 953 CD LYS A 63 -8.578 -6.621 -4.150 1.00 0.00 C ATOM 954 CE LYS A 63 -8.403 -6.817 -5.656 1.00 0.00 C ATOM 955 NZ LYS A 63 -7.781 -5.598 -6.247 1.00 0.00 N ATOM 0 H LYS A 63 -11.082 -4.825 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.266 -5.624 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.714 -5.071 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.718 -6.780 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.650 -7.237 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.426 -5.538 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.969 -5.784 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.233 -7.506 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.777 -7.688 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.369 -7.008 -6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.569 -5.768 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.439 -4.797 -6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.901 -5.377 -5.740 1.00 0.00 H new ATOM 969 N GLY A 64 -13.461 -7.477 -1.372 1.00 0.00 N ATOM 970 CA GLY A 64 -13.989 -8.799 -0.932 1.00 0.00 C ATOM 971 C GLY A 64 -13.847 -9.798 -2.081 1.00 0.00 C ATOM 972 O GLY A 64 -12.801 -10.382 -2.283 1.00 0.00 O ATOM 0 H GLY A 64 -14.167 -6.758 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.442 -9.151 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.035 -8.708 -0.639 1.00 0.00 H new ATOM 976 N THR A 65 -14.888 -9.992 -2.842 1.00 0.00 N ATOM 977 CA THR A 65 -14.809 -10.943 -3.986 1.00 0.00 C ATOM 978 C THR A 65 -15.308 -10.254 -5.259 1.00 0.00 C ATOM 979 O THR A 65 -15.263 -10.815 -6.336 1.00 0.00 O ATOM 980 CB THR A 65 -15.677 -12.170 -3.700 1.00 0.00 C ATOM 981 OG1 THR A 65 -15.309 -12.729 -2.446 1.00 0.00 O ATOM 982 CG2 THR A 65 -15.469 -13.206 -4.804 1.00 0.00 C ATOM 0 H THR A 65 -15.791 -9.533 -2.721 1.00 0.00 H new ATOM 0 HA THR A 65 -13.774 -11.256 -4.121 1.00 0.00 H new ATOM 0 HB THR A 65 -16.726 -11.876 -3.670 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.866 -13.514 -2.262 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.086 -14.081 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.752 -12.776 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.420 -13.501 -4.833 1.00 0.00 H new ATOM 990 N GLY A 66 -15.785 -9.043 -5.146 1.00 0.00 N ATOM 991 CA GLY A 66 -16.285 -8.323 -6.351 1.00 0.00 C ATOM 992 C GLY A 66 -15.114 -8.029 -7.289 1.00 0.00 C ATOM 993 O GLY A 66 -15.298 -7.666 -8.434 1.00 0.00 O ATOM 0 H GLY A 66 -15.850 -8.522 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.034 -8.926 -6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.772 -7.393 -6.057 1.00 0.00 H new ATOM 997 N ALA A 67 -13.910 -8.186 -6.813 1.00 0.00 N ATOM 998 CA ALA A 67 -12.726 -7.920 -7.677 1.00 0.00 C ATOM 999 C ALA A 67 -12.524 -6.409 -7.821 1.00 0.00 C ATOM 1000 O ALA A 67 -12.287 -5.906 -8.901 1.00 0.00 O ATOM 1001 CB ALA A 67 -12.955 -8.539 -9.058 1.00 0.00 C ATOM 0 H ALA A 67 -13.695 -8.487 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.839 -8.361 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.089 -8.345 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.096 -9.615 -8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -13.843 -8.098 -9.512 1.00 0.00 H new ATOM 1007 N SER A 68 -12.615 -5.681 -6.740 1.00 0.00 N ATOM 1008 CA SER A 68 -12.428 -4.205 -6.820 1.00 0.00 C ATOM 1009 C SER A 68 -11.623 -3.723 -5.612 1.00 0.00 C ATOM 1010 O SER A 68 -10.409 -3.665 -5.646 1.00 0.00 O ATOM 1011 CB SER A 68 -13.794 -3.519 -6.826 1.00 0.00 C ATOM 1012 OG SER A 68 -14.282 -3.455 -8.160 1.00 0.00 O ATOM 0 H SER A 68 -12.810 -6.045 -5.807 1.00 0.00 H new ATOM 0 HA SER A 68 -11.891 -3.958 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.493 -4.070 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.712 -2.516 -6.408 1.00 0.00 H new ATOM 0 HG SER A 68 -13.823 -4.125 -8.709 1.00 0.00 H new ATOM 1018 N GLY A 69 -12.287 -3.375 -4.545 1.00 0.00 N ATOM 1019 CA GLY A 69 -11.557 -2.894 -3.339 1.00 0.00 C ATOM 1020 C GLY A 69 -10.730 -1.660 -3.705 1.00 0.00 C ATOM 1021 O GLY A 69 -9.709 -1.757 -4.356 1.00 0.00 O ATOM 0 H GLY A 69 -13.303 -3.403 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.264 -2.650 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.907 -3.681 -2.956 1.00 0.00 H new ATOM 1025 N SER A 70 -11.162 -0.500 -3.294 1.00 0.00 N ATOM 1026 CA SER A 70 -10.401 0.740 -3.621 1.00 0.00 C ATOM 1027 C SER A 70 -10.045 1.471 -2.324 1.00 0.00 C ATOM 1028 O SER A 70 -10.645 2.472 -1.983 1.00 0.00 O ATOM 1029 CB SER A 70 -11.262 1.648 -4.500 1.00 0.00 C ATOM 1030 OG SER A 70 -11.193 1.200 -5.847 1.00 0.00 O ATOM 0 H SER A 70 -12.010 -0.356 -2.745 1.00 0.00 H new ATOM 0 HA SER A 70 -9.487 0.479 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.295 1.636 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.914 2.679 -4.429 1.00 0.00 H new ATOM 0 HG SER A 70 -11.745 1.779 -6.413 1.00 0.00 H new ATOM 1036 N PHE A 71 -9.089 0.960 -1.592 1.00 0.00 N ATOM 1037 CA PHE A 71 -8.693 1.599 -0.296 1.00 0.00 C ATOM 1038 C PHE A 71 -8.803 3.120 -0.365 1.00 0.00 C ATOM 1039 O PHE A 71 -8.258 3.763 -1.241 1.00 0.00 O ATOM 1040 CB PHE A 71 -7.244 1.258 0.083 1.00 0.00 C ATOM 1041 CG PHE A 71 -6.599 0.344 -0.932 1.00 0.00 C ATOM 1042 CD1 PHE A 71 -6.405 0.776 -2.249 1.00 0.00 C ATOM 1043 CD2 PHE A 71 -6.168 -0.929 -0.545 1.00 0.00 C ATOM 1044 CE1 PHE A 71 -5.778 -0.067 -3.174 1.00 0.00 C ATOM 1045 CE2 PHE A 71 -5.547 -1.772 -1.472 1.00 0.00 C ATOM 1046 CZ PHE A 71 -5.351 -1.340 -2.785 1.00 0.00 C ATOM 0 H PHE A 71 -8.561 0.122 -1.836 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.379 1.206 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.664 2.177 0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.227 0.782 1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.738 1.758 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.315 -1.262 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.624 0.267 -4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.219 -2.756 -1.172 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.869 -1.990 -3.501 1.00 0.00 H new ATOM 1056 N ARG A 72 -9.467 3.695 0.597 1.00 0.00 N ATOM 1057 CA ARG A 72 -9.587 5.171 0.661 1.00 0.00 C ATOM 1058 C ARG A 72 -8.703 5.634 1.818 1.00 0.00 C ATOM 1059 O ARG A 72 -7.855 6.488 1.663 1.00 0.00 O ATOM 1060 CB ARG A 72 -11.042 5.566 0.929 1.00 0.00 C ATOM 1061 CG ARG A 72 -11.809 5.636 -0.394 1.00 0.00 C ATOM 1062 CD ARG A 72 -12.621 4.353 -0.585 1.00 0.00 C ATOM 1063 NE ARG A 72 -13.763 4.339 0.373 1.00 0.00 N ATOM 1064 CZ ARG A 72 -14.989 4.409 -0.071 1.00 0.00 C ATOM 1065 NH1 ARG A 72 -15.409 3.558 -0.967 1.00 0.00 N ATOM 1066 NH2 ARG A 72 -15.795 5.330 0.382 1.00 0.00 N ATOM 0 H ARG A 72 -9.937 3.195 1.351 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.280 5.630 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.510 4.840 1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.080 6.531 1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.472 6.501 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.113 5.765 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.991 4.293 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.987 3.481 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.587 4.275 1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.779 2.838 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.367 3.613 -1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.467 5.995 1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.753 5.385 0.035 1.00 0.00 H new ATOM 1080 N LEU A 73 -8.877 5.017 2.966 1.00 0.00 N ATOM 1081 CA LEU A 73 -8.044 5.341 4.167 1.00 0.00 C ATOM 1082 C LEU A 73 -8.745 4.816 5.423 1.00 0.00 C ATOM 1083 O LEU A 73 -9.562 3.919 5.365 1.00 0.00 O ATOM 1084 CB LEU A 73 -7.816 6.853 4.339 1.00 0.00 C ATOM 1085 CG LEU A 73 -6.354 7.151 4.775 1.00 0.00 C ATOM 1086 CD1 LEU A 73 -5.677 5.933 5.422 1.00 0.00 C ATOM 1087 CD2 LEU A 73 -5.528 7.559 3.561 1.00 0.00 C ATOM 0 H LEU A 73 -9.575 4.289 3.121 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.073 4.867 4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.031 7.366 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.508 7.246 5.083 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.401 7.954 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.658 6.193 5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.238 5.633 6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.654 5.108 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.504 7.767 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.529 6.749 2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.960 8.453 3.111 1.00 0.00 H new ATOM 1099 N SER A 74 -8.433 5.374 6.562 1.00 0.00 N ATOM 1100 CA SER A 74 -9.072 4.907 7.821 1.00 0.00 C ATOM 1101 C SER A 74 -10.583 5.124 7.745 1.00 0.00 C ATOM 1102 O SER A 74 -11.365 4.237 8.026 1.00 0.00 O ATOM 1103 CB SER A 74 -8.504 5.695 9.000 1.00 0.00 C ATOM 1104 OG SER A 74 -9.131 5.259 10.200 1.00 0.00 O ATOM 0 H SER A 74 -7.762 6.134 6.673 1.00 0.00 H new ATOM 0 HA SER A 74 -8.868 3.845 7.957 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.426 5.548 9.065 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.672 6.762 8.855 1.00 0.00 H new ATOM 0 HG SER A 74 -8.768 5.761 10.960 1.00 0.00 H new ATOM 1110 N LYS A 75 -10.998 6.301 7.369 1.00 0.00 N ATOM 1111 CA LYS A 75 -12.457 6.583 7.276 1.00 0.00 C ATOM 1112 C LYS A 75 -12.806 6.963 5.837 1.00 0.00 C ATOM 1113 O LYS A 75 -11.980 6.736 4.969 1.00 0.00 O ATOM 1114 CB LYS A 75 -12.814 7.741 8.211 1.00 0.00 C ATOM 1115 CG LYS A 75 -13.363 7.189 9.528 1.00 0.00 C ATOM 1116 CD LYS A 75 -12.209 6.661 10.382 1.00 0.00 C ATOM 1117 CE LYS A 75 -12.550 6.842 11.862 1.00 0.00 C ATOM 1118 NZ LYS A 75 -11.363 6.496 12.693 1.00 0.00 N ATOM 1119 OXT LYS A 75 -13.894 7.474 5.627 1.00 0.00 O ATOM 0 H LYS A 75 -10.389 7.081 7.122 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.020 5.696 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.932 8.353 8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.554 8.387 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.900 7.970 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.078 6.390 9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.033 5.608 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.290 7.195 10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.853 7.872 12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.393 6.207 12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.596 6.619 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.094 5.507 12.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.570 7.120 12.442 1.00 0.00 H new TER 1133 LYS A 75