USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 602 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 18 ASN : amide:sc= -0.321 K(o=1.3,f=-2.7) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -172:sc= 1.62 (180deg=1.32) USER MOD Set 2.1: A 9 ASN : amide:sc= -1.35! K(o=-1.7!,f=-0.61) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 172:sc= -0.382 (180deg=-0.551) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.0795 (180deg=-0.0839) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 8 CYS SG : rot -16:sc= 0.34 USER MOD Single : A 20 SER OG : rot 7:sc= -0.351 USER MOD Single : A 23 LYS NZ :NH3+ -145:sc= -0.482 (180deg=-2.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -54:sc= 0.0696 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 111:sc= 1.3 USER MOD Single : A 39 MET CE :methyl -157:sc= -0.0725 (180deg=-0.507) USER MOD Single : A 46 THR OG1 : rot -80:sc= 1.17 USER MOD Single : A 48 SER OG : rot -168:sc= 0.0825 USER MOD Single : A 56 THR OG1 : rot -59:sc= 0.912 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -23:sc= -0.0411 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.297 -20.609 -5.536 1.00 0.00 N ATOM 2 CA MET A 1 -8.560 -20.221 -6.206 1.00 0.00 C ATOM 3 C MET A 1 -8.853 -18.739 -5.986 1.00 0.00 C ATOM 4 O MET A 1 -9.256 -18.036 -6.911 1.00 0.00 O ATOM 5 CB MET A 1 -9.734 -21.076 -5.701 1.00 0.00 C ATOM 6 CG MET A 1 -9.987 -20.963 -4.204 1.00 0.00 C ATOM 7 SD MET A 1 -11.418 -21.913 -3.665 1.00 0.00 S ATOM 8 CE MET A 1 -11.410 -21.565 -1.909 1.00 0.00 C ATOM 0 H1 MET A 1 -7.106 -21.616 -5.711 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.514 -20.038 -5.913 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.383 -20.446 -4.512 1.00 0.00 H new ATOM 0 HA MET A 1 -8.441 -20.398 -7.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.638 -20.783 -6.234 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.542 -22.120 -5.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.104 -21.306 -3.664 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.133 -19.915 -3.943 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.241 -22.084 -1.431 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.470 -21.907 -1.475 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.514 -20.492 -1.750 1.00 0.00 H new ATOM 20 N SER A 2 -8.620 -18.260 -4.772 1.00 0.00 N ATOM 21 CA SER A 2 -8.881 -16.872 -4.437 1.00 0.00 C ATOM 22 C SER A 2 -7.570 -16.124 -4.256 1.00 0.00 C ATOM 23 O SER A 2 -6.554 -16.717 -3.894 1.00 0.00 O ATOM 24 CB SER A 2 -9.708 -16.792 -3.154 1.00 0.00 C ATOM 25 OG SER A 2 -10.859 -17.616 -3.234 1.00 0.00 O ATOM 0 H SER A 2 -8.249 -18.817 -4.002 1.00 0.00 H new ATOM 0 HA SER A 2 -9.441 -16.411 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.097 -17.098 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.008 -15.760 -2.975 1.00 0.00 H new ATOM 0 HG SER A 2 -11.369 -17.547 -2.400 1.00 0.00 H new ATOM 31 N ILE A 3 -7.590 -14.830 -4.524 1.00 0.00 N ATOM 32 CA ILE A 3 -6.412 -14.001 -4.321 1.00 0.00 C ATOM 33 C ILE A 3 -6.704 -12.894 -3.318 1.00 0.00 C ATOM 34 O ILE A 3 -6.297 -11.750 -3.505 1.00 0.00 O ATOM 35 CB ILE A 3 -5.899 -13.379 -5.639 1.00 0.00 C ATOM 36 CG1 ILE A 3 -6.984 -12.519 -6.295 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.427 -14.470 -6.590 1.00 0.00 C ATOM 38 CD1 ILE A 3 -6.498 -11.750 -7.503 1.00 0.00 C ATOM 0 H ILE A 3 -8.405 -14.331 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.631 -14.654 -3.932 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.053 -12.732 -5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.814 -13.160 -6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.373 -11.815 -5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.068 -14.017 -7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.618 -15.034 -6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.256 -15.142 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.319 -11.164 -7.916 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.688 -11.083 -7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.136 -12.448 -8.257 1.00 0.00 H new ATOM 50 N GLU A 4 -7.408 -13.241 -2.248 1.00 0.00 N ATOM 51 CA GLU A 4 -7.734 -12.269 -1.214 1.00 0.00 C ATOM 52 C GLU A 4 -6.470 -11.724 -0.579 1.00 0.00 C ATOM 53 O GLU A 4 -5.733 -12.435 0.102 1.00 0.00 O ATOM 54 CB GLU A 4 -8.641 -12.878 -0.150 1.00 0.00 C ATOM 55 CG GLU A 4 -10.006 -13.256 -0.688 1.00 0.00 C ATOM 56 CD GLU A 4 -10.793 -14.129 0.265 1.00 0.00 C ATOM 57 OE1 GLU A 4 -11.350 -13.595 1.244 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.852 -15.358 0.046 1.00 0.00 O ATOM 0 H GLU A 4 -7.762 -14.182 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.272 -11.447 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.161 -13.764 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.762 -12.168 0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.574 -12.349 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.885 -13.779 -1.637 1.00 0.00 H new ATOM 65 N VAL A 5 -6.222 -10.462 -0.833 1.00 0.00 N ATOM 66 CA VAL A 5 -5.037 -9.803 -0.327 1.00 0.00 C ATOM 67 C VAL A 5 -5.361 -9.089 0.978 1.00 0.00 C ATOM 68 O VAL A 5 -6.369 -8.392 1.069 1.00 0.00 O ATOM 69 CB VAL A 5 -4.480 -8.788 -1.346 1.00 0.00 C ATOM 70 CG1 VAL A 5 -3.089 -8.340 -0.940 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.465 -9.374 -2.753 1.00 0.00 C ATOM 0 H VAL A 5 -6.830 -9.864 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.277 -10.565 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.138 -7.919 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.710 -7.624 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.130 -7.870 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.425 -9.204 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.068 -8.636 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.837 -10.264 -2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.480 -9.641 -3.047 1.00 0.00 H new ATOM 81 N ARG A 6 -4.530 -9.282 1.991 1.00 0.00 N ATOM 82 CA ARG A 6 -4.730 -8.631 3.281 1.00 0.00 C ATOM 83 C ARG A 6 -3.413 -8.017 3.743 1.00 0.00 C ATOM 84 O ARG A 6 -2.348 -8.537 3.417 1.00 0.00 O ATOM 85 CB ARG A 6 -5.253 -9.621 4.338 1.00 0.00 C ATOM 86 CG ARG A 6 -6.462 -10.442 3.902 1.00 0.00 C ATOM 87 CD ARG A 6 -6.054 -11.816 3.388 1.00 0.00 C ATOM 88 NE ARG A 6 -7.175 -12.755 3.391 1.00 0.00 N ATOM 89 CZ ARG A 6 -7.149 -13.952 2.803 1.00 0.00 C ATOM 90 NH1 ARG A 6 -6.087 -14.327 2.099 1.00 0.00 N ATOM 91 NH2 ARG A 6 -8.192 -14.764 2.901 1.00 0.00 N ATOM 0 H ARG A 6 -3.709 -9.885 1.946 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.482 -7.851 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.446 -10.303 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.514 -9.065 5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.146 -10.556 4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.003 -9.907 3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.661 -11.723 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.248 -12.211 4.007 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.030 -12.477 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.288 -13.699 2.007 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.070 -15.243 1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.017 -14.474 3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.170 -15.679 2.451 1.00 0.00 H new ATOM 105 N ASP A 7 -3.486 -6.927 4.504 1.00 0.00 N ATOM 106 CA ASP A 7 -2.290 -6.189 4.913 1.00 0.00 C ATOM 107 C ASP A 7 -1.576 -6.911 6.056 1.00 0.00 C ATOM 108 O ASP A 7 -1.835 -8.087 6.317 1.00 0.00 O ATOM 109 CB ASP A 7 -2.676 -4.768 5.343 1.00 0.00 C ATOM 110 CG ASP A 7 -3.273 -4.722 6.737 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.300 -5.385 6.975 1.00 0.00 O ATOM 112 OD2 ASP A 7 -2.695 -4.038 7.608 1.00 0.00 O ATOM 0 H ASP A 7 -4.361 -6.534 4.851 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.608 -6.132 4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.793 -4.130 5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.393 -4.359 4.631 1.00 0.00 H new ATOM 117 N CYS A 8 -0.687 -6.203 6.745 1.00 0.00 N ATOM 118 CA CYS A 8 0.067 -6.790 7.848 1.00 0.00 C ATOM 119 C CYS A 8 -0.850 -7.033 9.048 1.00 0.00 C ATOM 120 O CYS A 8 -0.519 -7.776 9.974 1.00 0.00 O ATOM 121 CB CYS A 8 1.240 -5.876 8.213 1.00 0.00 C ATOM 122 SG CYS A 8 2.091 -6.296 9.755 1.00 0.00 S ATOM 0 H CYS A 8 -0.471 -5.223 6.560 1.00 0.00 H new ATOM 0 HA CYS A 8 0.469 -7.755 7.541 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.964 -5.898 7.399 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.873 -4.852 8.286 1.00 0.00 H new ATOM 0 HG CYS A 8 1.347 -7.099 10.456 1.00 0.00 H new ATOM 128 N ASN A 9 -2.015 -6.404 9.014 1.00 0.00 N ATOM 129 CA ASN A 9 -3.032 -6.594 10.035 1.00 0.00 C ATOM 130 C ASN A 9 -3.884 -7.799 9.690 1.00 0.00 C ATOM 131 O ASN A 9 -4.033 -8.729 10.480 1.00 0.00 O ATOM 132 CB ASN A 9 -3.941 -5.372 10.100 1.00 0.00 C ATOM 133 CG ASN A 9 -4.719 -5.274 11.396 1.00 0.00 C ATOM 134 OD1 ASN A 9 -5.853 -4.806 11.408 1.00 0.00 O ATOM 135 ND2 ASN A 9 -4.113 -5.691 12.497 1.00 0.00 N ATOM 0 H ASN A 9 -2.281 -5.749 8.279 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.536 -6.742 10.994 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.338 -4.472 9.977 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.641 -5.403 9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.590 -5.629 13.396 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.169 -6.074 12.446 1.00 0.00 H new ATOM 142 N GLY A 10 -4.433 -7.764 8.489 1.00 0.00 N ATOM 143 CA GLY A 10 -5.366 -8.777 8.061 1.00 0.00 C ATOM 144 C GLY A 10 -6.595 -8.168 7.420 1.00 0.00 C ATOM 145 O GLY A 10 -7.586 -8.854 7.181 1.00 0.00 O ATOM 0 H GLY A 10 -4.245 -7.041 7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.878 -9.445 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.664 -9.383 8.917 1.00 0.00 H new ATOM 149 N ALA A 11 -6.536 -6.868 7.146 1.00 0.00 N ATOM 150 CA ALA A 11 -7.623 -6.181 6.474 1.00 0.00 C ATOM 151 C ALA A 11 -7.536 -6.435 4.980 1.00 0.00 C ATOM 152 O ALA A 11 -6.459 -6.338 4.392 1.00 0.00 O ATOM 153 CB ALA A 11 -7.579 -4.688 6.770 1.00 0.00 C ATOM 0 H ALA A 11 -5.743 -6.272 7.382 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.572 -6.567 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.402 -4.191 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.671 -4.527 7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.632 -4.276 6.421 1.00 0.00 H new ATOM 159 N LEU A 12 -8.660 -6.780 4.377 1.00 0.00 N ATOM 160 CA LEU A 12 -8.695 -7.114 2.963 1.00 0.00 C ATOM 161 C LEU A 12 -8.531 -5.877 2.090 1.00 0.00 C ATOM 162 O LEU A 12 -9.149 -4.836 2.334 1.00 0.00 O ATOM 163 CB LEU A 12 -10.001 -7.833 2.628 1.00 0.00 C ATOM 164 CG LEU A 12 -10.044 -9.315 3.015 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.482 -9.774 3.206 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.367 -10.156 1.943 1.00 0.00 C ATOM 0 H LEU A 12 -9.564 -6.836 4.846 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.856 -7.777 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.820 -7.318 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.180 -7.748 1.556 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.510 -9.443 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.494 -10.829 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.949 -9.188 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.035 -9.635 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.403 -11.207 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.884 -10.020 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.328 -9.844 1.838 1.00 0.00 H new ATOM 178 N LEU A 13 -7.691 -6.010 1.079 1.00 0.00 N ATOM 179 CA LEU A 13 -7.434 -4.954 0.121 1.00 0.00 C ATOM 180 C LEU A 13 -8.188 -5.244 -1.163 1.00 0.00 C ATOM 181 O LEU A 13 -8.627 -6.373 -1.388 1.00 0.00 O ATOM 182 CB LEU A 13 -5.935 -4.862 -0.178 1.00 0.00 C ATOM 183 CG LEU A 13 -5.066 -4.356 0.971 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.598 -4.614 0.678 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.303 -2.872 1.192 1.00 0.00 C ATOM 0 H LEU A 13 -7.163 -6.864 0.900 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.770 -4.006 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.579 -5.850 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.793 -4.204 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.340 -4.895 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.992 -4.248 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.434 -5.685 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.313 -4.095 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.678 -2.522 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.050 -2.324 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.352 -2.703 1.437 1.00 0.00 H new ATOM 197 N ALA A 14 -8.329 -4.238 -2.000 1.00 0.00 N ATOM 198 CA ALA A 14 -9.012 -4.403 -3.265 1.00 0.00 C ATOM 199 C ALA A 14 -8.437 -3.462 -4.312 1.00 0.00 C ATOM 200 O ALA A 14 -7.528 -2.683 -4.026 1.00 0.00 O ATOM 201 CB ALA A 14 -10.503 -4.171 -3.086 1.00 0.00 C ATOM 0 H ALA A 14 -7.979 -3.296 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.861 -5.424 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.008 -4.297 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.900 -4.890 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.672 -3.159 -2.717 1.00 0.00 H new ATOM 207 N ASP A 15 -8.950 -3.558 -5.526 1.00 0.00 N ATOM 208 CA ASP A 15 -8.525 -2.683 -6.607 1.00 0.00 C ATOM 209 C ASP A 15 -8.933 -1.242 -6.320 1.00 0.00 C ATOM 210 O ASP A 15 -10.121 -0.937 -6.191 1.00 0.00 O ATOM 211 CB ASP A 15 -9.132 -3.150 -7.926 1.00 0.00 C ATOM 212 CG ASP A 15 -8.712 -2.289 -9.095 1.00 0.00 C ATOM 213 OD1 ASP A 15 -7.568 -2.448 -9.569 1.00 0.00 O ATOM 214 OD2 ASP A 15 -9.527 -1.459 -9.553 1.00 0.00 O ATOM 0 H ASP A 15 -9.665 -4.236 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.438 -2.725 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.834 -4.182 -8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.219 -3.141 -7.845 1.00 0.00 H new ATOM 219 N GLY A 16 -7.947 -0.366 -6.207 1.00 0.00 N ATOM 220 CA GLY A 16 -8.217 1.020 -5.890 1.00 0.00 C ATOM 221 C GLY A 16 -8.175 1.270 -4.397 1.00 0.00 C ATOM 222 O GLY A 16 -8.869 2.150 -3.884 1.00 0.00 O ATOM 0 H GLY A 16 -6.960 -0.592 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.485 1.657 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.197 1.298 -6.278 1.00 0.00 H new ATOM 226 N ASP A 17 -7.373 0.478 -3.697 1.00 0.00 N ATOM 227 CA ASP A 17 -7.246 0.591 -2.249 1.00 0.00 C ATOM 228 C ASP A 17 -6.001 1.393 -1.886 1.00 0.00 C ATOM 229 O ASP A 17 -5.219 1.766 -2.761 1.00 0.00 O ATOM 230 CB ASP A 17 -7.178 -0.791 -1.599 1.00 0.00 C ATOM 231 CG ASP A 17 -7.880 -0.829 -0.253 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.555 0.003 0.624 1.00 0.00 O ATOM 233 OD2 ASP A 17 -8.794 -1.660 -0.082 1.00 0.00 O ATOM 0 H ASP A 17 -6.797 -0.254 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.128 1.110 -1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.632 -1.526 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.135 -1.079 -1.471 1.00 0.00 H new ATOM 238 N ASN A 18 -5.820 1.656 -0.601 1.00 0.00 N ATOM 239 CA ASN A 18 -4.682 2.434 -0.134 1.00 0.00 C ATOM 240 C ASN A 18 -3.993 1.773 1.051 1.00 0.00 C ATOM 241 O ASN A 18 -4.634 1.213 1.942 1.00 0.00 O ATOM 242 CB ASN A 18 -5.093 3.864 0.231 1.00 0.00 C ATOM 243 CG ASN A 18 -6.345 3.949 1.087 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.674 3.048 1.859 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.050 5.055 0.951 1.00 0.00 N ATOM 0 H ASN A 18 -6.448 1.342 0.139 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.973 2.476 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.270 4.343 0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.254 4.430 -0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.902 5.187 1.496 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.744 5.778 0.300 1.00 0.00 H new ATOM 252 N VAL A 19 -2.676 1.855 1.046 1.00 0.00 N ATOM 253 CA VAL A 19 -1.855 1.291 2.109 1.00 0.00 C ATOM 254 C VAL A 19 -0.751 2.267 2.491 1.00 0.00 C ATOM 255 O VAL A 19 -0.602 3.321 1.875 1.00 0.00 O ATOM 256 CB VAL A 19 -1.219 -0.063 1.709 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.283 -1.130 1.510 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.373 0.083 0.455 1.00 0.00 C ATOM 0 H VAL A 19 -2.142 2.313 0.307 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.515 1.114 2.958 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.570 -0.377 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.808 -2.070 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.839 -1.267 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.966 -0.819 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.062 -0.882 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.998 0.432 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.424 0.804 0.636 1.00 0.00 H new ATOM 268 N SER A 20 0.002 1.931 3.523 1.00 0.00 N ATOM 269 CA SER A 20 1.116 2.754 3.963 1.00 0.00 C ATOM 270 C SER A 20 2.176 1.902 4.666 1.00 0.00 C ATOM 271 O SER A 20 1.864 0.860 5.238 1.00 0.00 O ATOM 272 CB SER A 20 0.609 3.875 4.879 1.00 0.00 C ATOM 273 OG SER A 20 -0.246 4.766 4.178 1.00 0.00 O ATOM 0 H SER A 20 -0.139 1.086 4.077 1.00 0.00 H new ATOM 0 HA SER A 20 1.585 3.208 3.090 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.073 3.443 5.724 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.457 4.426 5.287 1.00 0.00 H new ATOM 0 HG SER A 20 -0.420 4.414 3.280 1.00 0.00 H new ATOM 279 N LEU A 21 3.429 2.339 4.584 1.00 0.00 N ATOM 280 CA LEU A 21 4.560 1.621 5.178 1.00 0.00 C ATOM 281 C LEU A 21 4.460 1.569 6.701 1.00 0.00 C ATOM 282 O LEU A 21 4.284 2.601 7.351 1.00 0.00 O ATOM 283 CB LEU A 21 5.876 2.304 4.787 1.00 0.00 C ATOM 284 CG LEU A 21 6.497 1.874 3.452 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.981 0.438 3.533 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.515 2.042 2.305 1.00 0.00 C ATOM 0 H LEU A 21 3.693 3.200 4.105 1.00 0.00 H new ATOM 0 HA LEU A 21 4.536 0.600 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.706 3.380 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.604 2.121 5.577 1.00 0.00 H new ATOM 0 HG LEU A 21 7.351 2.522 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.419 0.147 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.732 0.351 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.140 -0.217 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.986 1.728 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.632 1.430 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.221 3.089 2.228 1.00 0.00 H new ATOM 298 N ILE A 22 4.599 0.370 7.268 1.00 0.00 N ATOM 299 CA ILE A 22 4.562 0.207 8.723 1.00 0.00 C ATOM 300 C ILE A 22 5.965 0.315 9.312 1.00 0.00 C ATOM 301 O ILE A 22 6.147 0.286 10.527 1.00 0.00 O ATOM 302 CB ILE A 22 3.951 -1.145 9.148 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.875 -2.302 8.754 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.573 -1.321 8.526 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.422 -3.649 9.271 1.00 0.00 C ATOM 0 H ILE A 22 4.737 -0.496 6.748 1.00 0.00 H new ATOM 0 HA ILE A 22 3.929 1.007 9.106 1.00 0.00 H new ATOM 0 HB ILE A 22 3.843 -1.151 10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.944 -2.345 7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.878 -2.098 9.129 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.154 -2.279 8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.918 -0.515 8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.658 -1.295 7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.126 -4.417 8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.380 -3.625 10.360 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.432 -3.877 8.875 1.00 0.00 H new ATOM 317 N LYS A 23 6.945 0.434 8.430 1.00 0.00 N ATOM 318 CA LYS A 23 8.346 0.545 8.810 1.00 0.00 C ATOM 319 C LYS A 23 9.144 1.031 7.611 1.00 0.00 C ATOM 320 O LYS A 23 8.570 1.275 6.548 1.00 0.00 O ATOM 321 CB LYS A 23 8.895 -0.803 9.297 1.00 0.00 C ATOM 322 CG LYS A 23 8.458 -1.981 8.443 1.00 0.00 C ATOM 323 CD LYS A 23 9.426 -3.155 8.522 1.00 0.00 C ATOM 324 CE LYS A 23 9.290 -3.953 9.814 1.00 0.00 C ATOM 325 NZ LYS A 23 9.731 -3.193 11.014 1.00 0.00 N ATOM 0 H LYS A 23 6.790 0.457 7.422 1.00 0.00 H new ATOM 0 HA LYS A 23 8.435 1.256 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.984 -0.759 9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.570 -0.969 10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.469 -2.309 8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.368 -1.659 7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.256 -3.817 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.447 -2.783 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.250 -4.252 9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.877 -4.868 9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.178 -3.843 11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.416 -2.464 10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.908 -2.740 11.460 1.00 0.00 H new ATOM 339 N ASP A 24 10.452 1.175 7.769 1.00 0.00 N ATOM 340 CA ASP A 24 11.296 1.604 6.662 1.00 0.00 C ATOM 341 C ASP A 24 11.842 0.376 5.940 1.00 0.00 C ATOM 342 O ASP A 24 12.572 -0.421 6.525 1.00 0.00 O ATOM 343 CB ASP A 24 12.458 2.481 7.152 1.00 0.00 C ATOM 344 CG ASP A 24 12.053 3.476 8.223 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.362 4.464 7.910 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.441 3.283 9.391 1.00 0.00 O ATOM 0 H ASP A 24 10.948 1.003 8.643 1.00 0.00 H new ATOM 0 HA ASP A 24 10.692 2.201 5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.248 1.839 7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.877 3.022 6.304 1.00 0.00 H new ATOM 351 N LEU A 25 11.470 0.215 4.678 1.00 0.00 N ATOM 352 CA LEU A 25 11.892 -0.945 3.898 1.00 0.00 C ATOM 353 C LEU A 25 12.879 -0.541 2.822 1.00 0.00 C ATOM 354 O LEU A 25 12.550 0.226 1.920 1.00 0.00 O ATOM 355 CB LEU A 25 10.697 -1.642 3.236 1.00 0.00 C ATOM 356 CG LEU A 25 9.883 -2.589 4.122 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.762 -3.693 4.694 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.197 -1.837 5.238 1.00 0.00 C ATOM 0 H LEU A 25 10.877 0.872 4.170 1.00 0.00 H new ATOM 0 HA LEU A 25 12.368 -1.638 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.026 -0.875 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.063 -2.207 2.379 1.00 0.00 H new ATOM 0 HG LEU A 25 9.117 -3.047 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.159 -4.351 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.200 -4.268 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.557 -3.251 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.627 -2.535 5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.945 -1.340 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.523 -1.092 4.814 1.00 0.00 H new ATOM 370 N LYS A 26 14.083 -1.062 2.910 1.00 0.00 N ATOM 371 CA LYS A 26 15.080 -0.807 1.892 1.00 0.00 C ATOM 372 C LYS A 26 15.145 -1.990 0.934 1.00 0.00 C ATOM 373 O LYS A 26 15.244 -3.145 1.352 1.00 0.00 O ATOM 374 CB LYS A 26 16.438 -0.532 2.530 1.00 0.00 C ATOM 375 CG LYS A 26 17.520 -0.125 1.542 1.00 0.00 C ATOM 376 CD LYS A 26 18.479 -1.270 1.262 1.00 0.00 C ATOM 377 CE LYS A 26 19.217 -1.695 2.523 1.00 0.00 C ATOM 378 NZ LYS A 26 20.219 -2.756 2.247 1.00 0.00 N ATOM 0 H LYS A 26 14.395 -1.663 3.673 1.00 0.00 H new ATOM 0 HA LYS A 26 14.799 0.081 1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.325 0.257 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.765 -1.426 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.059 0.201 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.074 0.726 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.927 -2.119 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.199 -0.967 0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.715 -0.830 2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.499 -2.056 3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.700 -3.018 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.741 -3.591 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.919 -2.403 1.564 1.00 0.00 H new ATOM 392 N LEU A 27 15.089 -1.682 -0.344 1.00 0.00 N ATOM 393 CA LEU A 27 14.967 -2.685 -1.387 1.00 0.00 C ATOM 394 C LEU A 27 16.291 -2.924 -2.098 1.00 0.00 C ATOM 395 O LEU A 27 17.154 -2.042 -2.150 1.00 0.00 O ATOM 396 CB LEU A 27 13.916 -2.239 -2.402 1.00 0.00 C ATOM 397 CG LEU A 27 12.473 -2.243 -1.893 1.00 0.00 C ATOM 398 CD1 LEU A 27 11.522 -1.794 -2.989 1.00 0.00 C ATOM 399 CD2 LEU A 27 12.086 -3.624 -1.386 1.00 0.00 C ATOM 0 H LEU A 27 15.127 -0.724 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 27 14.665 -3.622 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.163 -1.232 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.978 -2.890 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 27 12.401 -1.541 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.500 -1.803 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.783 -0.784 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.600 -2.472 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.056 -3.605 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.176 -4.347 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.748 -3.910 -0.569 1.00 0.00 H new ATOM 411 N LYS A 28 16.435 -4.123 -2.647 1.00 0.00 N ATOM 412 CA LYS A 28 17.617 -4.494 -3.407 1.00 0.00 C ATOM 413 C LYS A 28 17.509 -3.999 -4.849 1.00 0.00 C ATOM 414 O LYS A 28 16.423 -3.978 -5.433 1.00 0.00 O ATOM 415 CB LYS A 28 17.795 -6.014 -3.384 1.00 0.00 C ATOM 416 CG LYS A 28 18.968 -6.507 -4.213 1.00 0.00 C ATOM 417 CD LYS A 28 19.064 -8.021 -4.207 1.00 0.00 C ATOM 418 CE LYS A 28 20.159 -8.502 -5.143 1.00 0.00 C ATOM 419 NZ LYS A 28 20.269 -9.981 -5.166 1.00 0.00 N ATOM 0 H LYS A 28 15.736 -4.863 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 28 18.487 -4.025 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.929 -6.339 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.881 -6.483 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.863 -6.153 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 19.893 -6.082 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.266 -8.372 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.109 -8.450 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.958 -8.139 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.112 -8.074 -4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.029 -10.263 -5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.487 -10.328 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.368 -10.391 -5.486 1.00 0.00 H new ATOM 433 N GLY A 29 18.638 -3.597 -5.413 1.00 0.00 N ATOM 434 CA GLY A 29 18.666 -3.119 -6.780 1.00 0.00 C ATOM 435 C GLY A 29 19.621 -1.961 -6.933 1.00 0.00 C ATOM 436 O GLY A 29 20.611 -2.047 -7.659 1.00 0.00 O ATOM 0 H GLY A 29 19.543 -3.594 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.963 -3.929 -7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.665 -2.810 -7.081 1.00 0.00 H new ATOM 440 N SER A 30 19.329 -0.886 -6.225 1.00 0.00 N ATOM 441 CA SER A 30 20.203 0.269 -6.194 1.00 0.00 C ATOM 442 C SER A 30 20.491 0.653 -4.747 1.00 0.00 C ATOM 443 O SER A 30 21.559 0.350 -4.215 1.00 0.00 O ATOM 444 CB SER A 30 19.562 1.442 -6.939 1.00 0.00 C ATOM 445 OG SER A 30 19.214 1.074 -8.262 1.00 0.00 O ATOM 0 H SER A 30 18.486 -0.790 -5.660 1.00 0.00 H new ATOM 0 HA SER A 30 21.141 0.020 -6.690 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.672 1.774 -6.404 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.253 2.284 -6.962 1.00 0.00 H new ATOM 0 HG SER A 30 18.805 1.839 -8.717 1.00 0.00 H new ATOM 451 N SER A 31 19.511 1.292 -4.118 1.00 0.00 N ATOM 452 CA SER A 31 19.598 1.690 -2.721 1.00 0.00 C ATOM 453 C SER A 31 18.267 2.309 -2.311 1.00 0.00 C ATOM 454 O SER A 31 18.218 3.331 -1.628 1.00 0.00 O ATOM 455 CB SER A 31 20.744 2.693 -2.514 1.00 0.00 C ATOM 456 OG SER A 31 21.050 2.856 -1.138 1.00 0.00 O ATOM 0 H SER A 31 18.631 1.549 -4.566 1.00 0.00 H new ATOM 0 HA SER A 31 19.806 0.817 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.631 2.349 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.468 3.656 -2.943 1.00 0.00 H new ATOM 0 HG SER A 31 20.236 3.096 -0.648 1.00 0.00 H new ATOM 462 N THR A 32 17.180 1.676 -2.735 1.00 0.00 N ATOM 463 CA THR A 32 15.854 2.222 -2.516 1.00 0.00 C ATOM 464 C THR A 32 15.430 2.041 -1.063 1.00 0.00 C ATOM 465 O THR A 32 15.068 0.946 -0.650 1.00 0.00 O ATOM 466 CB THR A 32 14.835 1.529 -3.437 1.00 0.00 C ATOM 467 OG1 THR A 32 15.393 1.397 -4.754 1.00 0.00 O ATOM 468 CG2 THR A 32 13.536 2.321 -3.510 1.00 0.00 C ATOM 0 H THR A 32 17.194 0.785 -3.232 1.00 0.00 H new ATOM 0 HA THR A 32 15.884 3.287 -2.745 1.00 0.00 H new ATOM 0 HB THR A 32 14.613 0.544 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.745 0.954 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.834 1.809 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.104 2.405 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.739 3.318 -3.902 1.00 0.00 H new ATOM 476 N VAL A 33 15.483 3.116 -0.293 1.00 0.00 N ATOM 477 CA VAL A 33 15.114 3.065 1.115 1.00 0.00 C ATOM 478 C VAL A 33 13.751 3.714 1.325 1.00 0.00 C ATOM 479 O VAL A 33 13.637 4.941 1.346 1.00 0.00 O ATOM 480 CB VAL A 33 16.151 3.788 2.008 1.00 0.00 C ATOM 481 CG1 VAL A 33 15.862 3.538 3.482 1.00 0.00 C ATOM 482 CG2 VAL A 33 17.568 3.361 1.657 1.00 0.00 C ATOM 0 H VAL A 33 15.778 4.036 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 33 15.081 2.014 1.401 1.00 0.00 H new ATOM 0 HB VAL A 33 16.067 4.858 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.603 4.056 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.867 3.911 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.908 2.468 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.276 3.885 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.671 2.286 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.774 3.606 0.615 1.00 0.00 H new ATOM 492 N LEU A 34 12.715 2.899 1.445 1.00 0.00 N ATOM 493 CA LEU A 34 11.389 3.412 1.747 1.00 0.00 C ATOM 494 C LEU A 34 11.273 3.677 3.235 1.00 0.00 C ATOM 495 O LEU A 34 11.884 2.981 4.040 1.00 0.00 O ATOM 496 CB LEU A 34 10.290 2.447 1.304 1.00 0.00 C ATOM 497 CG LEU A 34 10.072 2.354 -0.205 1.00 0.00 C ATOM 498 CD1 LEU A 34 11.017 1.345 -0.837 1.00 0.00 C ATOM 499 CD2 LEU A 34 8.623 2.008 -0.499 1.00 0.00 C ATOM 0 H LEU A 34 12.766 1.886 1.339 1.00 0.00 H new ATOM 0 HA LEU A 34 11.255 4.341 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.528 1.453 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.353 2.750 1.772 1.00 0.00 H new ATOM 0 HG LEU A 34 10.294 3.325 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.837 1.302 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.048 1.647 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.844 0.361 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.476 1.944 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.378 1.050 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.974 2.782 -0.090 1.00 0.00 H new ATOM 511 N LYS A 35 10.498 4.679 3.598 1.00 0.00 N ATOM 512 CA LYS A 35 10.395 5.078 4.992 1.00 0.00 C ATOM 513 C LYS A 35 9.020 4.770 5.567 1.00 0.00 C ATOM 514 O LYS A 35 8.047 4.599 4.834 1.00 0.00 O ATOM 515 CB LYS A 35 10.714 6.563 5.137 1.00 0.00 C ATOM 516 CG LYS A 35 12.192 6.878 4.971 1.00 0.00 C ATOM 517 CD LYS A 35 12.984 6.549 6.227 1.00 0.00 C ATOM 518 CE LYS A 35 12.458 7.317 7.431 1.00 0.00 C ATOM 519 NZ LYS A 35 13.321 7.142 8.628 1.00 0.00 N ATOM 0 H LYS A 35 9.932 5.231 2.953 1.00 0.00 H new ATOM 0 HA LYS A 35 11.123 4.498 5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.144 7.124 4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.384 6.904 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.592 6.312 4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.314 7.934 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.929 5.478 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.035 6.791 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.393 8.377 7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.447 6.980 7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.925 7.682 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.363 6.134 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.279 7.487 8.418 1.00 0.00 H new ATOM 533 N ARG A 36 8.961 4.692 6.883 1.00 0.00 N ATOM 534 CA ARG A 36 7.719 4.448 7.595 1.00 0.00 C ATOM 535 C ARG A 36 6.743 5.594 7.371 1.00 0.00 C ATOM 536 O ARG A 36 7.139 6.760 7.350 1.00 0.00 O ATOM 537 CB ARG A 36 8.005 4.301 9.084 1.00 0.00 C ATOM 538 CG ARG A 36 6.880 3.648 9.859 1.00 0.00 C ATOM 539 CD ARG A 36 7.295 3.386 11.290 1.00 0.00 C ATOM 540 NE ARG A 36 6.306 2.594 12.019 1.00 0.00 N ATOM 541 CZ ARG A 36 5.337 3.103 12.777 1.00 0.00 C ATOM 542 NH1 ARG A 36 5.152 4.415 12.844 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.539 2.290 13.454 1.00 0.00 N ATOM 0 H ARG A 36 9.774 4.796 7.490 1.00 0.00 H new ATOM 0 HA ARG A 36 7.271 3.529 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.913 3.712 9.214 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.201 5.287 9.506 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.000 4.291 9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.599 2.710 9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.252 2.865 11.299 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.445 4.336 11.802 1.00 0.00 H new ATOM 0 HE ARG A 36 6.362 1.579 11.941 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.755 5.043 12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.407 4.796 13.427 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.669 1.280 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.795 2.674 14.036 1.00 0.00 H new ATOM 557 N GLY A 37 5.475 5.261 7.201 1.00 0.00 N ATOM 558 CA GLY A 37 4.468 6.284 7.003 1.00 0.00 C ATOM 559 C GLY A 37 4.281 6.651 5.544 1.00 0.00 C ATOM 560 O GLY A 37 3.401 7.443 5.212 1.00 0.00 O ATOM 0 H GLY A 37 5.123 4.303 7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.519 5.936 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.748 7.176 7.564 1.00 0.00 H new ATOM 564 N THR A 38 5.112 6.090 4.670 1.00 0.00 N ATOM 565 CA THR A 38 4.978 6.333 3.241 1.00 0.00 C ATOM 566 C THR A 38 3.653 5.773 2.737 1.00 0.00 C ATOM 567 O THR A 38 3.430 4.561 2.770 1.00 0.00 O ATOM 568 CB THR A 38 6.136 5.699 2.442 1.00 0.00 C ATOM 569 OG1 THR A 38 7.389 6.205 2.914 1.00 0.00 O ATOM 570 CG2 THR A 38 6.001 5.993 0.953 1.00 0.00 C ATOM 0 H THR A 38 5.879 5.469 4.926 1.00 0.00 H new ATOM 0 HA THR A 38 5.009 7.412 3.089 1.00 0.00 H new ATOM 0 HB THR A 38 6.095 4.620 2.588 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.874 5.493 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.830 5.534 0.415 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.060 5.585 0.585 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.016 7.071 0.792 1.00 0.00 H new ATOM 578 N MET A 39 2.774 6.656 2.296 1.00 0.00 N ATOM 579 CA MET A 39 1.473 6.247 1.813 1.00 0.00 C ATOM 580 C MET A 39 1.551 5.759 0.379 1.00 0.00 C ATOM 581 O MET A 39 1.945 6.493 -0.531 1.00 0.00 O ATOM 582 CB MET A 39 0.457 7.385 1.924 1.00 0.00 C ATOM 583 CG MET A 39 -0.817 7.129 1.128 1.00 0.00 C ATOM 584 SD MET A 39 -2.176 8.207 1.608 1.00 0.00 S ATOM 585 CE MET A 39 -2.564 7.518 3.212 1.00 0.00 C ATOM 0 H MET A 39 2.941 7.662 2.264 1.00 0.00 H new ATOM 0 HA MET A 39 1.138 5.423 2.443 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.199 7.533 2.973 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.917 8.310 1.575 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.609 7.266 0.067 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.120 6.090 1.262 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.593 7.764 3.474 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.447 6.435 3.181 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.889 7.935 3.960 1.00 0.00 H new ATOM 595 N ILE A 40 1.182 4.507 0.200 1.00 0.00 N ATOM 596 CA ILE A 40 1.044 3.930 -1.120 1.00 0.00 C ATOM 597 C ILE A 40 -0.439 3.773 -1.425 1.00 0.00 C ATOM 598 O ILE A 40 -1.055 2.766 -1.083 1.00 0.00 O ATOM 599 CB ILE A 40 1.746 2.558 -1.234 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.207 2.661 -0.785 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.665 2.038 -2.663 1.00 0.00 C ATOM 602 CD1 ILE A 40 3.961 1.353 -0.876 1.00 0.00 C ATOM 0 H ILE A 40 0.970 3.864 0.963 1.00 0.00 H new ATOM 0 HA ILE A 40 1.522 4.597 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 40 1.234 1.854 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.715 3.407 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.238 3.018 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.164 1.071 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.620 1.927 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.153 2.743 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.988 1.501 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.477 0.609 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.962 1.005 -1.909 1.00 0.00 H new ATOM 614 N ARG A 41 -1.018 4.793 -2.019 1.00 0.00 N ATOM 615 CA ARG A 41 -2.442 4.789 -2.296 1.00 0.00 C ATOM 616 C ARG A 41 -2.694 4.448 -3.759 1.00 0.00 C ATOM 617 O ARG A 41 -1.784 4.530 -4.585 1.00 0.00 O ATOM 618 CB ARG A 41 -3.070 6.139 -1.903 1.00 0.00 C ATOM 619 CG ARG A 41 -2.351 7.368 -2.450 1.00 0.00 C ATOM 620 CD ARG A 41 -2.573 7.532 -3.946 1.00 0.00 C ATOM 621 NE ARG A 41 -1.796 8.624 -4.525 1.00 0.00 N ATOM 622 CZ ARG A 41 -2.257 9.421 -5.489 1.00 0.00 C ATOM 623 NH1 ARG A 41 -3.513 9.292 -5.915 1.00 0.00 N ATOM 624 NH2 ARG A 41 -1.468 10.346 -6.025 1.00 0.00 N ATOM 0 H ARG A 41 -0.528 5.635 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.922 4.019 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.103 6.157 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.098 6.207 -0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.705 8.258 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.283 7.285 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.312 6.601 -4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.632 7.709 -4.133 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.852 8.785 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.121 8.584 -5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.867 9.901 -6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.507 10.448 -5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.823 10.954 -6.762 1.00 0.00 H new ATOM 638 N GLY A 42 -3.920 4.064 -4.071 1.00 0.00 N ATOM 639 CA GLY A 42 -4.250 3.681 -5.425 1.00 0.00 C ATOM 640 C GLY A 42 -3.549 2.404 -5.840 1.00 0.00 C ATOM 641 O GLY A 42 -2.931 2.347 -6.905 1.00 0.00 O ATOM 0 H GLY A 42 -4.694 4.011 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.328 3.547 -5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.973 4.485 -6.107 1.00 0.00 H new ATOM 645 N ILE A 43 -3.632 1.390 -4.991 1.00 0.00 N ATOM 646 CA ILE A 43 -3.022 0.104 -5.274 1.00 0.00 C ATOM 647 C ILE A 43 -4.031 -0.812 -5.943 1.00 0.00 C ATOM 648 O ILE A 43 -5.236 -0.554 -5.919 1.00 0.00 O ATOM 649 CB ILE A 43 -2.461 -0.573 -3.990 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.574 -1.009 -3.024 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.517 0.371 -3.272 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.067 -2.426 -3.239 1.00 0.00 C ATOM 0 H ILE A 43 -4.119 1.436 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.182 0.281 -5.946 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.927 -1.468 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.209 -0.915 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.416 -0.324 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.131 -0.113 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.688 0.628 -3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.053 1.278 -2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.851 -2.652 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.466 -2.523 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.240 -3.123 -3.107 1.00 0.00 H new ATOM 664 N ARG A 44 -3.541 -1.872 -6.545 1.00 0.00 N ATOM 665 CA ARG A 44 -4.403 -2.869 -7.146 1.00 0.00 C ATOM 666 C ARG A 44 -3.905 -4.260 -6.794 1.00 0.00 C ATOM 667 O ARG A 44 -2.738 -4.439 -6.431 1.00 0.00 O ATOM 668 CB ARG A 44 -4.477 -2.676 -8.664 1.00 0.00 C ATOM 669 CG ARG A 44 -3.125 -2.498 -9.334 1.00 0.00 C ATOM 670 CD ARG A 44 -3.278 -2.353 -10.843 1.00 0.00 C ATOM 671 NE ARG A 44 -1.993 -2.200 -11.526 1.00 0.00 N ATOM 672 CZ ARG A 44 -1.864 -1.992 -12.838 1.00 0.00 C ATOM 673 NH1 ARG A 44 -2.938 -1.929 -13.614 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.655 -1.861 -13.367 1.00 0.00 N ATOM 0 H ARG A 44 -2.544 -2.068 -6.633 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.411 -2.752 -6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.978 -3.538 -9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.094 -1.804 -8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.628 -1.617 -8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.489 -3.354 -9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.793 -3.228 -11.238 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.906 -1.489 -11.060 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.143 -2.256 -10.965 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.867 -2.040 -13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.834 -1.770 -14.616 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.171 -1.919 -12.772 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.551 -1.702 -14.369 1.00 0.00 H new ATOM 688 N LEU A 45 -4.789 -5.235 -6.893 1.00 0.00 N ATOM 689 CA LEU A 45 -4.463 -6.595 -6.511 1.00 0.00 C ATOM 690 C LEU A 45 -3.725 -7.281 -7.647 1.00 0.00 C ATOM 691 O LEU A 45 -4.164 -7.240 -8.798 1.00 0.00 O ATOM 692 CB LEU A 45 -5.735 -7.374 -6.156 1.00 0.00 C ATOM 693 CG LEU A 45 -6.634 -6.723 -5.103 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.820 -7.621 -4.788 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.854 -6.401 -3.837 1.00 0.00 C ATOM 0 H LEU A 45 -5.741 -5.109 -7.236 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.821 -6.570 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.317 -7.519 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.447 -8.363 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.008 -5.785 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.449 -7.143 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.401 -7.788 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.461 -8.577 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.519 -5.939 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.440 -7.320 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.043 -5.713 -4.075 1.00 0.00 H new ATOM 707 N THR A 46 -2.602 -7.899 -7.327 1.00 0.00 N ATOM 708 CA THR A 46 -1.790 -8.562 -8.332 1.00 0.00 C ATOM 709 C THR A 46 -2.256 -10.003 -8.521 1.00 0.00 C ATOM 710 O THR A 46 -3.398 -10.343 -8.202 1.00 0.00 O ATOM 711 CB THR A 46 -0.297 -8.548 -7.941 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.098 -9.238 -6.700 1.00 0.00 O ATOM 713 CG2 THR A 46 0.216 -7.123 -7.824 1.00 0.00 C ATOM 0 H THR A 46 -2.231 -7.956 -6.378 1.00 0.00 H new ATOM 0 HA THR A 46 -1.907 -8.017 -9.268 1.00 0.00 H new ATOM 0 HB THR A 46 0.262 -9.058 -8.726 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.335 -8.647 -5.955 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.270 -7.137 -7.548 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.099 -6.614 -8.781 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.352 -6.593 -7.059 1.00 0.00 H new ATOM 721 N ASP A 47 -1.381 -10.845 -9.052 1.00 0.00 N ATOM 722 CA ASP A 47 -1.681 -12.260 -9.194 1.00 0.00 C ATOM 723 C ASP A 47 -1.328 -12.969 -7.888 1.00 0.00 C ATOM 724 O ASP A 47 -1.632 -14.146 -7.686 1.00 0.00 O ATOM 725 CB ASP A 47 -0.890 -12.849 -10.367 1.00 0.00 C ATOM 726 CG ASP A 47 -1.517 -14.112 -10.922 1.00 0.00 C ATOM 727 OD1 ASP A 47 -2.513 -14.002 -11.669 1.00 0.00 O ATOM 728 OD2 ASP A 47 -1.013 -15.214 -10.632 1.00 0.00 O ATOM 0 H ASP A 47 -0.459 -10.572 -9.391 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.742 -12.399 -9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.818 -12.105 -11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.127 -13.067 -10.041 1.00 0.00 H new ATOM 733 N SER A 48 -0.683 -12.215 -7.004 1.00 0.00 N ATOM 734 CA SER A 48 -0.291 -12.689 -5.693 1.00 0.00 C ATOM 735 C SER A 48 -1.317 -12.271 -4.639 1.00 0.00 C ATOM 736 O SER A 48 -1.975 -11.239 -4.776 1.00 0.00 O ATOM 737 CB SER A 48 1.073 -12.099 -5.346 1.00 0.00 C ATOM 738 OG SER A 48 2.088 -12.585 -6.209 1.00 0.00 O ATOM 0 H SER A 48 -0.417 -11.247 -7.185 1.00 0.00 H new ATOM 0 HA SER A 48 -0.238 -13.778 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.027 -11.012 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.324 -12.344 -4.314 1.00 0.00 H new ATOM 0 HG SER A 48 2.967 -12.340 -5.851 1.00 0.00 H new ATOM 744 N GLU A 49 -1.447 -13.073 -3.593 1.00 0.00 N ATOM 745 CA GLU A 49 -2.346 -12.752 -2.487 1.00 0.00 C ATOM 746 C GLU A 49 -1.602 -11.953 -1.430 1.00 0.00 C ATOM 747 O GLU A 49 -2.199 -11.258 -0.612 1.00 0.00 O ATOM 748 CB GLU A 49 -2.861 -14.019 -1.820 1.00 0.00 C ATOM 749 CG GLU A 49 -3.171 -15.152 -2.772 1.00 0.00 C ATOM 750 CD GLU A 49 -2.967 -16.498 -2.117 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.860 -16.949 -1.372 1.00 0.00 O ATOM 752 OE2 GLU A 49 -1.893 -17.103 -2.327 1.00 0.00 O ATOM 0 H GLU A 49 -0.942 -13.953 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.179 -12.180 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.119 -14.361 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.763 -13.777 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.201 -15.067 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.533 -15.074 -3.652 1.00 0.00 H new ATOM 759 N ASP A 50 -0.291 -12.099 -1.434 1.00 0.00 N ATOM 760 CA ASP A 50 0.553 -11.493 -0.418 1.00 0.00 C ATOM 761 C ASP A 50 1.221 -10.243 -0.958 1.00 0.00 C ATOM 762 O ASP A 50 1.983 -9.577 -0.256 1.00 0.00 O ATOM 763 CB ASP A 50 1.610 -12.497 0.047 1.00 0.00 C ATOM 764 CG ASP A 50 1.007 -13.682 0.772 1.00 0.00 C ATOM 765 OD1 ASP A 50 0.497 -14.606 0.103 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.033 -13.696 2.021 1.00 0.00 O ATOM 0 H ASP A 50 0.218 -12.637 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.069 -11.212 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.174 -12.852 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.318 -11.995 0.706 1.00 0.00 H new ATOM 771 N GLU A 51 0.916 -9.917 -2.206 1.00 0.00 N ATOM 772 CA GLU A 51 1.534 -8.785 -2.871 1.00 0.00 C ATOM 773 C GLU A 51 0.501 -7.929 -3.575 1.00 0.00 C ATOM 774 O GLU A 51 -0.485 -8.427 -4.120 1.00 0.00 O ATOM 775 CB GLU A 51 2.570 -9.246 -3.895 1.00 0.00 C ATOM 776 CG GLU A 51 3.850 -9.777 -3.281 1.00 0.00 C ATOM 777 CD GLU A 51 4.076 -11.245 -3.575 1.00 0.00 C ATOM 778 OE1 GLU A 51 4.675 -11.551 -4.628 1.00 0.00 O ATOM 779 OE2 GLU A 51 3.656 -12.095 -2.765 1.00 0.00 O ATOM 0 H GLU A 51 0.241 -10.424 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 51 2.025 -8.194 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.128 -10.023 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.813 -8.411 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.695 -9.201 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.819 -9.628 -2.202 1.00 0.00 H new ATOM 786 N ILE A 52 0.747 -6.640 -3.558 1.00 0.00 N ATOM 787 CA ILE A 52 -0.064 -5.684 -4.284 1.00 0.00 C ATOM 788 C ILE A 52 0.832 -4.757 -5.078 1.00 0.00 C ATOM 789 O ILE A 52 2.008 -4.603 -4.760 1.00 0.00 O ATOM 790 CB ILE A 52 -0.975 -4.855 -3.343 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.186 -4.292 -2.151 1.00 0.00 C ATOM 792 CG2 ILE A 52 -2.142 -5.694 -2.860 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.471 -2.954 -2.423 1.00 0.00 C ATOM 0 H ILE A 52 1.518 -6.221 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.713 -6.245 -4.956 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.363 -4.011 -3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.859 -4.188 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.582 -5.011 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.771 -5.096 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.728 -6.029 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.766 -6.561 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.008 -2.625 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.171 -3.054 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.292 -2.219 -2.679 1.00 0.00 H new ATOM 805 N GLU A 53 0.296 -4.160 -6.115 1.00 0.00 N ATOM 806 CA GLU A 53 1.049 -3.199 -6.889 1.00 0.00 C ATOM 807 C GLU A 53 0.419 -1.836 -6.722 1.00 0.00 C ATOM 808 O GLU A 53 -0.782 -1.669 -6.938 1.00 0.00 O ATOM 809 CB GLU A 53 1.079 -3.595 -8.357 1.00 0.00 C ATOM 810 CG GLU A 53 1.928 -2.671 -9.215 1.00 0.00 C ATOM 811 CD GLU A 53 1.763 -2.930 -10.695 1.00 0.00 C ATOM 812 OE1 GLU A 53 2.508 -3.765 -11.250 1.00 0.00 O ATOM 813 OE2 GLU A 53 0.886 -2.300 -11.310 1.00 0.00 O ATOM 0 H GLU A 53 -0.656 -4.321 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 53 2.078 -3.173 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.461 -4.612 -8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.060 -3.604 -8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.661 -1.636 -9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.977 -2.793 -8.944 1.00 0.00 H new ATOM 820 N GLY A 54 1.215 -0.871 -6.320 1.00 0.00 N ATOM 821 CA GLY A 54 0.680 0.433 -6.044 1.00 0.00 C ATOM 822 C GLY A 54 1.545 1.540 -6.575 1.00 0.00 C ATOM 823 O GLY A 54 2.386 1.327 -7.448 1.00 0.00 O ATOM 0 H GLY A 54 2.221 -0.966 -6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.315 0.513 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.564 0.553 -4.967 1.00 0.00 H new ATOM 827 N ARG A 55 1.340 2.724 -6.037 1.00 0.00 N ATOM 828 CA ARG A 55 2.058 3.901 -6.465 1.00 0.00 C ATOM 829 C ARG A 55 2.228 4.856 -5.300 1.00 0.00 C ATOM 830 O ARG A 55 1.365 4.964 -4.429 1.00 0.00 O ATOM 831 CB ARG A 55 1.307 4.575 -7.607 1.00 0.00 C ATOM 832 CG ARG A 55 -0.178 4.693 -7.351 1.00 0.00 C ATOM 833 CD ARG A 55 -0.925 5.072 -8.610 1.00 0.00 C ATOM 834 NE ARG A 55 -2.340 4.711 -8.538 1.00 0.00 N ATOM 835 CZ ARG A 55 -3.289 5.287 -9.270 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.985 6.291 -10.086 1.00 0.00 N ATOM 837 NH2 ARG A 55 -4.545 4.859 -9.184 1.00 0.00 N ATOM 0 H ARG A 55 0.668 2.895 -5.289 1.00 0.00 H new ATOM 0 HA ARG A 55 3.047 3.612 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.722 5.570 -7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.468 4.008 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.560 3.746 -6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.358 5.442 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.833 6.145 -8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.468 4.576 -9.466 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.615 3.974 -7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.022 6.621 -10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.715 6.731 -10.647 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.780 4.090 -8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.274 5.300 -9.745 1.00 0.00 H new ATOM 851 N THR A 56 3.355 5.521 -5.286 1.00 0.00 N ATOM 852 CA THR A 56 3.663 6.490 -4.258 1.00 0.00 C ATOM 853 C THR A 56 3.670 7.880 -4.874 1.00 0.00 C ATOM 854 O THR A 56 3.259 8.053 -6.023 1.00 0.00 O ATOM 855 CB THR A 56 5.031 6.201 -3.599 1.00 0.00 C ATOM 856 OG1 THR A 56 6.072 6.257 -4.576 1.00 0.00 O ATOM 857 CG2 THR A 56 5.048 4.830 -2.947 1.00 0.00 C ATOM 0 H THR A 56 4.088 5.408 -5.987 1.00 0.00 H new ATOM 0 HA THR A 56 2.901 6.426 -3.481 1.00 0.00 H new ATOM 0 HB THR A 56 5.194 6.961 -2.835 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.894 5.601 -5.282 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.023 4.655 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.276 4.783 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.857 4.066 -3.701 1.00 0.00 H new ATOM 865 N ASP A 57 4.130 8.865 -4.123 1.00 0.00 N ATOM 866 CA ASP A 57 4.228 10.227 -4.634 1.00 0.00 C ATOM 867 C ASP A 57 5.461 10.378 -5.525 1.00 0.00 C ATOM 868 O ASP A 57 5.850 11.489 -5.883 1.00 0.00 O ATOM 869 CB ASP A 57 4.273 11.232 -3.480 1.00 0.00 C ATOM 870 CG ASP A 57 2.997 11.225 -2.659 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.860 10.356 -1.769 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.123 12.091 -2.889 1.00 0.00 O ATOM 0 H ASP A 57 4.442 8.751 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 57 3.342 10.433 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.120 11.001 -2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.440 12.233 -3.879 1.00 0.00 H new ATOM 877 N LYS A 58 6.074 9.249 -5.872 1.00 0.00 N ATOM 878 CA LYS A 58 7.208 9.230 -6.775 1.00 0.00 C ATOM 879 C LYS A 58 7.207 7.948 -7.604 1.00 0.00 C ATOM 880 O LYS A 58 7.198 7.988 -8.832 1.00 0.00 O ATOM 881 CB LYS A 58 8.520 9.335 -5.993 1.00 0.00 C ATOM 882 CG LYS A 58 9.732 9.478 -6.889 1.00 0.00 C ATOM 883 CD LYS A 58 10.922 10.059 -6.142 1.00 0.00 C ATOM 884 CE LYS A 58 10.681 11.513 -5.757 1.00 0.00 C ATOM 885 NZ LYS A 58 11.855 12.116 -5.073 1.00 0.00 N ATOM 0 H LYS A 58 5.795 8.328 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 58 7.124 10.087 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.469 10.192 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.638 8.448 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.000 8.503 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.485 10.120 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.113 9.470 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.814 9.989 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.448 12.090 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.811 11.574 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.645 13.105 -4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.062 11.583 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.680 12.083 -5.705 1.00 0.00 H new ATOM 899 N ILE A 59 7.197 6.814 -6.918 1.00 0.00 N ATOM 900 CA ILE A 59 7.300 5.514 -7.571 1.00 0.00 C ATOM 901 C ILE A 59 5.919 4.963 -7.887 1.00 0.00 C ATOM 902 O ILE A 59 5.211 4.497 -6.997 1.00 0.00 O ATOM 903 CB ILE A 59 8.043 4.488 -6.685 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.248 5.146 -5.994 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.478 3.291 -7.519 1.00 0.00 C ATOM 906 CD1 ILE A 59 10.288 5.691 -6.950 1.00 0.00 C ATOM 0 H ILE A 59 7.118 6.767 -5.902 1.00 0.00 H new ATOM 0 HA ILE A 59 7.864 5.667 -8.491 1.00 0.00 H new ATOM 0 HB ILE A 59 7.363 4.135 -5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.891 5.958 -5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.721 4.415 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.000 2.575 -6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.601 2.815 -7.957 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.145 3.625 -8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.104 6.138 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.676 4.880 -7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.833 6.447 -7.590 1.00 0.00 H new ATOM 918 N LYS A 60 5.538 5.033 -9.147 1.00 0.00 N ATOM 919 CA LYS A 60 4.255 4.508 -9.585 1.00 0.00 C ATOM 920 C LYS A 60 4.427 3.136 -10.222 1.00 0.00 C ATOM 921 O LYS A 60 5.276 2.948 -11.094 1.00 0.00 O ATOM 922 CB LYS A 60 3.600 5.466 -10.583 1.00 0.00 C ATOM 923 CG LYS A 60 4.556 5.943 -11.659 1.00 0.00 C ATOM 924 CD LYS A 60 3.947 5.854 -13.054 1.00 0.00 C ATOM 925 CE LYS A 60 3.767 4.408 -13.497 1.00 0.00 C ATOM 926 NZ LYS A 60 3.268 4.307 -14.893 1.00 0.00 N ATOM 0 H LYS A 60 6.099 5.450 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 60 3.610 4.411 -8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.751 4.969 -11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.206 6.329 -10.046 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.843 6.975 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.467 5.345 -11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.982 6.361 -13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.588 6.376 -13.765 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.719 3.883 -13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.068 3.908 -12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.161 3.305 -15.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.347 4.785 -14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.947 4.760 -15.538 1.00 0.00 H new ATOM 940 N GLY A 61 3.632 2.179 -9.772 1.00 0.00 N ATOM 941 CA GLY A 61 3.638 0.864 -10.379 1.00 0.00 C ATOM 942 C GLY A 61 4.712 -0.036 -9.816 1.00 0.00 C ATOM 943 O GLY A 61 5.448 -0.680 -10.566 1.00 0.00 O ATOM 0 H GLY A 61 2.980 2.289 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.665 0.396 -10.231 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.783 0.966 -11.454 1.00 0.00 H new ATOM 947 N LEU A 62 4.815 -0.084 -8.496 1.00 0.00 N ATOM 948 CA LEU A 62 5.768 -0.966 -7.859 1.00 0.00 C ATOM 949 C LEU A 62 5.021 -2.077 -7.124 1.00 0.00 C ATOM 950 O LEU A 62 4.039 -1.823 -6.420 1.00 0.00 O ATOM 951 CB LEU A 62 6.709 -0.192 -6.914 1.00 0.00 C ATOM 952 CG LEU A 62 6.157 0.163 -5.529 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.278 0.683 -4.641 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.049 1.204 -5.622 1.00 0.00 C ATOM 0 H LEU A 62 4.253 0.475 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 62 6.399 -1.417 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.615 -0.783 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.003 0.733 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 62 5.735 -0.743 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.878 0.933 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.045 -0.085 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.716 1.574 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.680 1.433 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.440 2.112 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.233 0.813 -6.229 1.00 0.00 H new ATOM 966 N VAL A 63 5.470 -3.306 -7.317 1.00 0.00 N ATOM 967 CA VAL A 63 4.812 -4.466 -6.728 1.00 0.00 C ATOM 968 C VAL A 63 5.447 -4.806 -5.399 1.00 0.00 C ATOM 969 O VAL A 63 6.612 -5.201 -5.336 1.00 0.00 O ATOM 970 CB VAL A 63 4.883 -5.710 -7.638 1.00 0.00 C ATOM 971 CG1 VAL A 63 4.120 -6.877 -7.020 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.350 -5.395 -9.024 1.00 0.00 C ATOM 0 H VAL A 63 6.291 -3.529 -7.879 1.00 0.00 H new ATOM 0 HA VAL A 63 3.764 -4.197 -6.597 1.00 0.00 H new ATOM 0 HB VAL A 63 5.929 -6.000 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.184 -7.743 -7.679 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.556 -7.125 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.075 -6.599 -6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.410 -6.287 -9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.311 -5.073 -8.950 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.946 -4.599 -9.471 1.00 0.00 H new ATOM 982 N LEU A 64 4.678 -4.669 -4.343 1.00 0.00 N ATOM 983 CA LEU A 64 5.190 -4.928 -3.013 1.00 0.00 C ATOM 984 C LEU A 64 4.307 -5.867 -2.233 1.00 0.00 C ATOM 985 O LEU A 64 3.078 -5.769 -2.252 1.00 0.00 O ATOM 986 CB LEU A 64 5.371 -3.639 -2.221 1.00 0.00 C ATOM 987 CG LEU A 64 6.599 -2.823 -2.606 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.541 -1.442 -1.978 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.858 -3.564 -2.178 1.00 0.00 C ATOM 0 H LEU A 64 3.700 -4.381 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 64 6.161 -5.403 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.484 -3.020 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.433 -3.885 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 64 6.618 -2.694 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.426 -0.875 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.648 -0.922 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.506 -1.537 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.736 -2.980 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.844 -3.711 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.897 -4.533 -2.675 1.00 0.00 H new ATOM 1001 N ARG A 65 4.958 -6.800 -1.578 1.00 0.00 N ATOM 1002 CA ARG A 65 4.321 -7.624 -0.579 1.00 0.00 C ATOM 1003 C ARG A 65 3.712 -6.751 0.503 1.00 0.00 C ATOM 1004 O ARG A 65 4.370 -5.874 1.063 1.00 0.00 O ATOM 1005 CB ARG A 65 5.333 -8.585 0.025 1.00 0.00 C ATOM 1006 CG ARG A 65 6.718 -7.982 0.190 1.00 0.00 C ATOM 1007 CD ARG A 65 7.702 -9.005 0.742 1.00 0.00 C ATOM 1008 NE ARG A 65 8.055 -10.002 -0.278 1.00 0.00 N ATOM 1009 CZ ARG A 65 7.425 -11.172 -0.450 1.00 0.00 C ATOM 1010 NH1 ARG A 65 6.538 -11.602 0.437 1.00 0.00 N ATOM 1011 NH2 ARG A 65 7.718 -11.940 -1.491 1.00 0.00 N ATOM 0 H ARG A 65 5.946 -7.009 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 65 3.526 -8.203 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.971 -8.916 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.404 -9.470 -0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.074 -7.613 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.667 -7.124 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.603 -8.498 1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.266 -9.504 1.607 1.00 0.00 H new ATOM 0 HE ARG A 65 8.835 -9.788 -0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.328 -11.040 1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.065 -12.495 0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.424 -11.640 -2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.237 -12.830 -1.619 1.00 0.00 H new ATOM 1025 N THR A 66 2.464 -7.013 0.810 1.00 0.00 N ATOM 1026 CA THR A 66 1.714 -6.184 1.729 1.00 0.00 C ATOM 1027 C THR A 66 1.906 -6.662 3.172 1.00 0.00 C ATOM 1028 O THR A 66 1.064 -6.427 4.040 1.00 0.00 O ATOM 1029 CB THR A 66 0.220 -6.183 1.335 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.535 -5.346 2.216 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.344 -7.594 1.348 1.00 0.00 C ATOM 0 H THR A 66 1.940 -7.803 0.433 1.00 0.00 H new ATOM 0 HA THR A 66 2.088 -5.162 1.669 1.00 0.00 H new ATOM 0 HB THR A 66 0.142 -5.787 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.056 -5.249 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.397 -7.568 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.205 -8.212 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.246 -8.016 2.348 1.00 0.00 H new ATOM 1039 N GLU A 67 3.055 -7.280 3.440 1.00 0.00 N ATOM 1040 CA GLU A 67 3.323 -7.851 4.756 1.00 0.00 C ATOM 1041 C GLU A 67 3.895 -6.786 5.659 1.00 0.00 C ATOM 1042 O GLU A 67 3.945 -6.925 6.878 1.00 0.00 O ATOM 1043 CB GLU A 67 4.311 -9.001 4.630 1.00 0.00 C ATOM 1044 CG GLU A 67 4.042 -9.870 3.424 1.00 0.00 C ATOM 1045 CD GLU A 67 4.981 -11.052 3.341 1.00 0.00 C ATOM 1046 OE1 GLU A 67 6.131 -10.856 2.908 1.00 0.00 O ATOM 1047 OE2 GLU A 67 4.581 -12.177 3.708 1.00 0.00 O ATOM 0 H GLU A 67 3.811 -7.397 2.766 1.00 0.00 H new ATOM 0 HA GLU A 67 2.392 -8.227 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.323 -8.600 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.267 -9.613 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.014 -10.229 3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.138 -9.270 2.519 1.00 0.00 H new ATOM 1054 N PHE A 68 4.337 -5.726 5.030 1.00 0.00 N ATOM 1055 CA PHE A 68 4.881 -4.590 5.742 1.00 0.00 C ATOM 1056 C PHE A 68 4.073 -3.342 5.429 1.00 0.00 C ATOM 1057 O PHE A 68 4.523 -2.215 5.649 1.00 0.00 O ATOM 1058 CB PHE A 68 6.357 -4.399 5.387 1.00 0.00 C ATOM 1059 CG PHE A 68 6.640 -4.211 3.922 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.462 -2.980 3.315 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.101 -5.270 3.157 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.741 -2.805 1.975 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.379 -5.101 1.816 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.198 -3.867 1.223 1.00 0.00 C ATOM 0 H PHE A 68 4.331 -5.623 4.015 1.00 0.00 H new ATOM 0 HA PHE A 68 4.815 -4.776 6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.736 -3.533 5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.915 -5.266 5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.100 -2.146 3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.244 -6.238 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.602 -1.838 1.516 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.738 -5.934 1.230 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.414 -3.734 0.173 1.00 0.00 H new ATOM 1074 N LEU A 69 2.862 -3.553 4.936 1.00 0.00 N ATOM 1075 CA LEU A 69 1.995 -2.454 4.573 1.00 0.00 C ATOM 1076 C LEU A 69 0.755 -2.463 5.436 1.00 0.00 C ATOM 1077 O LEU A 69 0.286 -3.517 5.869 1.00 0.00 O ATOM 1078 CB LEU A 69 1.607 -2.532 3.098 1.00 0.00 C ATOM 1079 CG LEU A 69 2.774 -2.479 2.112 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.284 -2.701 0.693 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.498 -1.147 2.223 1.00 0.00 C ATOM 0 H LEU A 69 2.462 -4.478 4.780 1.00 0.00 H new ATOM 0 HA LEU A 69 2.537 -1.523 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.055 -3.457 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.926 -1.711 2.874 1.00 0.00 H new ATOM 0 HG LEU A 69 3.474 -3.277 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.129 -2.660 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.806 -3.678 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.565 -1.925 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.327 -1.123 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.805 -0.336 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.882 -1.025 3.236 1.00 0.00 H new ATOM 1093 N LYS A 70 0.248 -1.279 5.687 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.936 -1.103 6.492 1.00 0.00 C ATOM 1095 C LYS A 70 -2.047 -0.516 5.641 1.00 0.00 C ATOM 1096 O LYS A 70 -1.846 0.506 4.990 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.634 -0.156 7.655 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.215 -0.610 8.981 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.584 -1.240 8.803 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.258 -1.522 10.133 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.569 -2.198 9.952 1.00 0.00 N ATOM 0 H LYS A 70 0.647 -0.408 5.337 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.249 -2.070 6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.446 -0.055 7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.025 0.833 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.541 -1.328 9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.291 0.242 9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.214 -0.576 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.485 -2.170 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.608 -2.147 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.402 -0.587 10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.937 -2.496 10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.241 -1.540 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.448 -3.032 9.343 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.202 -1.162 5.631 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.357 -0.613 4.944 1.00 0.00 C ATOM 1117 C LYS A 71 -4.762 0.691 5.621 1.00 0.00 C ATOM 1118 O LYS A 71 -5.037 0.719 6.821 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.515 -1.621 4.938 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.729 -1.181 4.122 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.664 -0.285 4.922 1.00 0.00 C ATOM 1122 CE LYS A 71 -8.839 0.194 4.086 1.00 0.00 C ATOM 1123 NZ LYS A 71 -8.406 1.047 2.945 1.00 0.00 N ATOM 0 H LYS A 71 -3.363 -2.060 6.087 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.102 -0.409 3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.152 -2.570 4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.829 -1.801 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.393 -0.650 3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.275 -2.061 3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.034 -0.829 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.110 0.576 5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.388 -0.668 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.527 0.756 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.242 1.461 2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.791 1.809 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.883 0.468 2.258 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.785 1.764 4.851 1.00 0.00 N ATOM 1138 CA ALA A 72 -5.048 3.085 5.402 1.00 0.00 C ATOM 1139 C ALA A 72 -6.527 3.247 5.732 1.00 0.00 C ATOM 1140 O ALA A 72 -7.390 3.090 4.866 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.579 4.165 4.438 1.00 0.00 C ATOM 0 H ALA A 72 -4.625 1.749 3.844 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.486 3.192 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.783 5.147 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.508 4.059 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.110 4.063 3.492 1.00 0.00 H new ATOM 1147 N GLY A 73 -6.811 3.524 6.998 1.00 0.00 N ATOM 1148 CA GLY A 73 -8.181 3.701 7.437 1.00 0.00 C ATOM 1149 C GLY A 73 -8.588 2.669 8.468 1.00 0.00 C ATOM 1150 O GLY A 73 -9.302 2.977 9.423 1.00 0.00 O ATOM 0 H GLY A 73 -6.112 3.630 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.300 4.699 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.848 3.636 6.577 1.00 0.00 H new ATOM 1154 N SER A 74 -8.120 1.444 8.286 1.00 0.00 N ATOM 1155 CA SER A 74 -8.455 0.353 9.186 1.00 0.00 C ATOM 1156 C SER A 74 -7.189 -0.374 9.623 1.00 0.00 C ATOM 1157 O SER A 74 -6.709 -0.119 10.752 1.00 0.00 O ATOM 1158 CB SER A 74 -9.417 -0.622 8.501 1.00 0.00 C ATOM 1159 OG SER A 74 -10.583 0.046 8.045 1.00 0.00 O ATOM 1160 OXT SER A 74 -6.663 -1.176 8.830 1.00 0.00 O ATOM 0 H SER A 74 -7.503 1.180 7.518 1.00 0.00 H new ATOM 0 HA SER A 74 -8.945 0.764 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.916 -1.101 7.660 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.696 -1.412 9.198 1.00 0.00 H new ATOM 0 HG SER A 74 -11.180 -0.598 7.610 1.00 0.00 H new TER 1166 SER A 74