USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 514 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 4 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 THR OG1 : rot 23:sc= 1.25 USER MOD Set 1.3: A 9 LYS NZ :NH3+ -161:sc= 0.877 (180deg=0.634) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.125 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 143:sc= -0.0133 (180deg=-0.13) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 84:sc= -0.434 USER MOD Single : A 18 MET CE :methyl -153:sc= -1.35 (180deg=-2.9!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.81) USER MOD Single : A 26 GLN : amide:sc= 0.165 K(o=0.16,f=-0.35) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 74:sc= -3.08 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.0042) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.11 K(o=0.11,f=-1.8) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.321 USER MOD Single : A 67 SER OG : rot -62:sc= 0.863 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 48.888 23.758 -7.413 1.00 0.00 N ATOM 2 CA GLY A 1 48.146 22.543 -6.970 1.00 0.00 C ATOM 3 C GLY A 1 48.977 21.787 -5.931 1.00 0.00 C ATOM 4 O GLY A 1 49.997 22.264 -5.473 1.00 0.00 O ATOM 0 H1 GLY A 1 48.273 24.592 -7.323 1.00 0.00 H new ATOM 0 H2 GLY A 1 49.733 23.885 -6.819 1.00 0.00 H new ATOM 0 H3 GLY A 1 49.176 23.646 -8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 47.183 22.827 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 1 47.939 21.899 -7.824 1.00 0.00 H new ATOM 10 N SER A 2 48.544 20.605 -5.557 1.00 0.00 N ATOM 11 CA SER A 2 49.299 19.795 -4.542 1.00 0.00 C ATOM 12 C SER A 2 49.562 20.618 -3.274 1.00 0.00 C ATOM 13 O SER A 2 50.540 21.335 -3.183 1.00 0.00 O ATOM 14 CB SER A 2 50.618 19.418 -5.220 1.00 0.00 C ATOM 15 OG SER A 2 50.526 18.090 -5.719 1.00 0.00 O ATOM 0 H SER A 2 47.696 20.163 -5.912 1.00 0.00 H new ATOM 0 HA SER A 2 48.736 18.915 -4.232 1.00 0.00 H new ATOM 0 HB2 SER A 2 50.833 20.111 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 2 51.441 19.496 -4.509 1.00 0.00 H new ATOM 0 HG SER A 2 51.369 17.845 -6.156 1.00 0.00 H new ATOM 21 N MET A 3 48.693 20.517 -2.301 1.00 0.00 N ATOM 22 CA MET A 3 48.882 21.288 -1.036 1.00 0.00 C ATOM 23 C MET A 3 49.544 20.406 0.027 1.00 0.00 C ATOM 24 O MET A 3 50.407 20.848 0.761 1.00 0.00 O ATOM 25 CB MET A 3 47.471 21.686 -0.600 1.00 0.00 C ATOM 26 CG MET A 3 46.935 22.771 -1.535 1.00 0.00 C ATOM 27 SD MET A 3 45.131 22.838 -1.409 1.00 0.00 S ATOM 28 CE MET A 3 44.765 22.005 -2.974 1.00 0.00 C ATOM 0 H MET A 3 47.858 19.932 -2.329 1.00 0.00 H new ATOM 0 HA MET A 3 49.526 22.157 -1.174 1.00 0.00 H new ATOM 0 HB2 MET A 3 46.814 20.817 -0.620 1.00 0.00 H new ATOM 0 HB3 MET A 3 47.486 22.051 0.427 1.00 0.00 H new ATOM 0 HG2 MET A 3 47.365 23.738 -1.272 1.00 0.00 H new ATOM 0 HG3 MET A 3 47.231 22.559 -2.563 1.00 0.00 H new ATOM 0 HE1 MET A 3 43.685 21.935 -3.105 1.00 0.00 H new ATOM 0 HE2 MET A 3 45.195 22.574 -3.798 1.00 0.00 H new ATOM 0 HE3 MET A 3 45.195 21.003 -2.962 1.00 0.00 H new ATOM 38 N SER A 4 49.144 19.163 0.110 1.00 0.00 N ATOM 39 CA SER A 4 49.743 18.242 1.122 1.00 0.00 C ATOM 40 C SER A 4 50.476 17.094 0.423 1.00 0.00 C ATOM 41 O SER A 4 50.319 16.883 -0.763 1.00 0.00 O ATOM 42 CB SER A 4 48.558 17.711 1.926 1.00 0.00 C ATOM 43 OG SER A 4 47.696 16.979 1.063 1.00 0.00 O ATOM 0 H SER A 4 48.426 18.745 -0.482 1.00 0.00 H new ATOM 0 HA SER A 4 50.473 18.745 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 4 48.910 17.072 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 4 48.016 18.537 2.385 1.00 0.00 H new ATOM 0 HG SER A 4 46.935 16.635 1.576 1.00 0.00 H new ATOM 49 N THR A 5 51.279 16.357 1.160 1.00 0.00 N ATOM 50 CA THR A 5 52.050 15.202 0.577 1.00 0.00 C ATOM 51 C THR A 5 52.685 15.566 -0.774 1.00 0.00 C ATOM 52 O THR A 5 52.071 15.425 -1.815 1.00 0.00 O ATOM 53 CB THR A 5 51.031 14.067 0.410 1.00 0.00 C ATOM 54 OG1 THR A 5 49.998 14.472 -0.476 1.00 0.00 O ATOM 55 CG2 THR A 5 50.426 13.712 1.771 1.00 0.00 C ATOM 0 H THR A 5 51.436 16.508 2.156 1.00 0.00 H new ATOM 0 HA THR A 5 52.876 14.916 1.228 1.00 0.00 H new ATOM 0 HB THR A 5 51.536 13.193 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 5 50.325 15.194 -1.052 1.00 0.00 H new ATOM 0 HG21 THR A 5 49.703 12.906 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 5 51.217 13.390 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 5 49.927 14.587 2.187 1.00 0.00 H new ATOM 63 N SER A 6 53.908 16.032 -0.758 1.00 0.00 N ATOM 64 CA SER A 6 54.590 16.408 -2.033 1.00 0.00 C ATOM 65 C SER A 6 55.564 15.306 -2.458 1.00 0.00 C ATOM 66 O SER A 6 55.833 15.125 -3.630 1.00 0.00 O ATOM 67 CB SER A 6 55.344 17.696 -1.713 1.00 0.00 C ATOM 68 OG SER A 6 55.961 18.185 -2.897 1.00 0.00 O ATOM 0 H SER A 6 54.465 16.169 0.086 1.00 0.00 H new ATOM 0 HA SER A 6 53.886 16.541 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 6 54.658 18.442 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 6 56.097 17.510 -0.947 1.00 0.00 H new ATOM 0 HG SER A 6 56.445 19.013 -2.696 1.00 0.00 H new ATOM 74 N GLU A 7 56.092 14.572 -1.512 1.00 0.00 N ATOM 75 CA GLU A 7 57.052 13.479 -1.851 1.00 0.00 C ATOM 76 C GLU A 7 56.725 12.218 -1.048 1.00 0.00 C ATOM 77 O GLU A 7 57.599 11.597 -0.471 1.00 0.00 O ATOM 78 CB GLU A 7 58.426 14.024 -1.462 1.00 0.00 C ATOM 79 CG GLU A 7 58.917 14.992 -2.540 1.00 0.00 C ATOM 80 CD GLU A 7 60.439 14.895 -2.659 1.00 0.00 C ATOM 81 OE1 GLU A 7 61.116 15.627 -1.955 1.00 0.00 O ATOM 82 OE2 GLU A 7 60.901 14.092 -3.451 1.00 0.00 O ATOM 0 H GLU A 7 55.899 14.683 -0.517 1.00 0.00 H new ATOM 0 HA GLU A 7 57.007 13.202 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 7 58.367 14.534 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 7 59.134 13.204 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 7 58.451 14.754 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 7 58.626 16.012 -2.288 1.00 0.00 H new ATOM 89 N LEU A 8 55.474 11.838 -1.007 1.00 0.00 N ATOM 90 CA LEU A 8 55.081 10.615 -0.243 1.00 0.00 C ATOM 91 C LEU A 8 53.855 9.961 -0.887 1.00 0.00 C ATOM 92 O LEU A 8 52.750 10.069 -0.389 1.00 0.00 O ATOM 93 CB LEU A 8 54.749 11.116 1.164 1.00 0.00 C ATOM 94 CG LEU A 8 54.389 9.928 2.058 1.00 0.00 C ATOM 95 CD1 LEU A 8 55.620 9.039 2.248 1.00 0.00 C ATOM 96 CD2 LEU A 8 53.916 10.441 3.421 1.00 0.00 C ATOM 0 H LEU A 8 54.706 12.323 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 8 55.870 9.863 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.601 11.653 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 8 53.917 11.820 1.124 1.00 0.00 H new ATOM 0 HG LEU A 8 53.593 9.350 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.363 8.193 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.958 8.674 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.417 9.617 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.659 9.595 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.713 11.019 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.039 11.074 3.287 1.00 0.00 H new ATOM 108 N LYS A 9 54.046 9.280 -1.989 1.00 0.00 N ATOM 109 CA LYS A 9 52.898 8.610 -2.673 1.00 0.00 C ATOM 110 C LYS A 9 53.408 7.690 -3.782 1.00 0.00 C ATOM 111 O LYS A 9 52.799 7.561 -4.826 1.00 0.00 O ATOM 112 CB LYS A 9 52.044 9.743 -3.254 1.00 0.00 C ATOM 113 CG LYS A 9 52.883 10.595 -4.212 1.00 0.00 C ATOM 114 CD LYS A 9 52.068 11.806 -4.668 1.00 0.00 C ATOM 115 CE LYS A 9 51.881 12.768 -3.492 1.00 0.00 C ATOM 116 NZ LYS A 9 51.247 13.979 -4.083 1.00 0.00 N ATOM 0 H LYS A 9 54.950 9.159 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 9 52.321 7.990 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 9 51.185 9.328 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 9 51.654 10.365 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 9 53.797 10.924 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 9 53.184 10.001 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 9 52.577 12.312 -5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 9 51.098 11.483 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 9 51.250 12.329 -2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 9 52.835 13.010 -3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 51.376 14.787 -3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 51.690 14.191 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 50.231 13.806 -4.222 1.00 0.00 H new ATOM 130 N LYS A 10 54.524 7.046 -3.553 1.00 0.00 N ATOM 131 CA LYS A 10 55.095 6.118 -4.583 1.00 0.00 C ATOM 132 C LYS A 10 56.342 5.417 -4.027 1.00 0.00 C ATOM 133 O LYS A 10 57.292 6.053 -3.613 1.00 0.00 O ATOM 134 CB LYS A 10 55.463 7.008 -5.784 1.00 0.00 C ATOM 135 CG LYS A 10 54.679 6.558 -7.023 1.00 0.00 C ATOM 136 CD LYS A 10 55.007 7.482 -8.197 1.00 0.00 C ATOM 137 CE LYS A 10 54.387 6.921 -9.481 1.00 0.00 C ATOM 138 NZ LYS A 10 55.510 6.243 -10.185 1.00 0.00 N ATOM 0 H LYS A 10 55.069 7.122 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 10 54.388 5.338 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.238 8.050 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 10 56.534 6.948 -5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 10 54.934 5.529 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 10 53.609 6.580 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.623 8.483 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 10 56.087 7.572 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 10 53.581 6.222 -9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 10 53.959 7.715 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.159 5.381 -10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 55.908 6.883 -10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 56.249 5.991 -9.498 1.00 0.00 H new ATOM 152 N VAL A 11 56.339 4.109 -4.024 1.00 0.00 N ATOM 153 CA VAL A 11 57.515 3.338 -3.508 1.00 0.00 C ATOM 154 C VAL A 11 57.603 2.001 -4.236 1.00 0.00 C ATOM 155 O VAL A 11 56.631 1.524 -4.780 1.00 0.00 O ATOM 156 CB VAL A 11 57.271 3.115 -2.010 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.400 4.448 -1.272 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.876 2.523 -1.782 1.00 0.00 C ATOM 0 H VAL A 11 55.566 3.535 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 11 58.450 3.873 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 11 58.012 2.414 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.227 4.293 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.401 4.851 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.664 5.152 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.716 2.370 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.122 3.209 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.797 1.568 -2.302 1.00 0.00 H new ATOM 168 N VAL A 12 58.759 1.397 -4.252 1.00 0.00 N ATOM 169 CA VAL A 12 58.919 0.094 -4.957 1.00 0.00 C ATOM 170 C VAL A 12 58.824 -1.054 -3.928 1.00 0.00 C ATOM 171 O VAL A 12 58.732 -0.822 -2.738 1.00 0.00 O ATOM 172 CB VAL A 12 60.320 0.214 -5.624 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.170 -1.057 -5.477 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.148 0.513 -7.111 1.00 0.00 C ATOM 0 H VAL A 12 59.604 1.752 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 12 58.153 -0.124 -5.701 1.00 0.00 H new ATOM 0 HB VAL A 12 60.843 1.021 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.134 -0.908 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.326 -1.270 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.654 -1.896 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.128 0.598 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.588 -0.295 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.605 1.450 -7.233 1.00 0.00 H new ATOM 184 N ALA A 13 58.859 -2.281 -4.383 1.00 0.00 N ATOM 185 CA ALA A 13 58.783 -3.443 -3.447 1.00 0.00 C ATOM 186 C ALA A 13 60.075 -4.263 -3.518 1.00 0.00 C ATOM 187 O ALA A 13 60.593 -4.525 -4.588 1.00 0.00 O ATOM 188 CB ALA A 13 57.601 -4.276 -3.942 1.00 0.00 C ATOM 0 H ALA A 13 58.937 -2.529 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 13 58.657 -3.129 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.480 -5.151 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.693 -3.674 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.786 -4.598 -4.967 1.00 0.00 H new ATOM 194 N LEU A 14 60.597 -4.669 -2.388 1.00 0.00 N ATOM 195 CA LEU A 14 61.856 -5.474 -2.385 1.00 0.00 C ATOM 196 C LEU A 14 61.532 -6.970 -2.445 1.00 0.00 C ATOM 197 O LEU A 14 61.737 -7.616 -3.455 1.00 0.00 O ATOM 198 CB LEU A 14 62.552 -5.127 -1.067 1.00 0.00 C ATOM 199 CG LEU A 14 63.023 -3.672 -1.106 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.588 -3.282 0.261 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.113 -3.517 -2.169 1.00 0.00 C ATOM 0 H LEU A 14 60.205 -4.477 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 14 62.486 -5.252 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 14 61.868 -5.277 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.401 -5.791 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 14 62.181 -3.025 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.924 -2.245 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.813 -3.393 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.430 -3.930 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.449 -2.480 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.955 -4.165 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.713 -3.795 -3.144 1.00 0.00 H new ATOM 213 N TYR A 15 61.033 -7.519 -1.370 1.00 0.00 N ATOM 214 CA TYR A 15 60.695 -8.974 -1.351 1.00 0.00 C ATOM 215 C TYR A 15 59.178 -9.170 -1.413 1.00 0.00 C ATOM 216 O TYR A 15 58.419 -8.220 -1.379 1.00 0.00 O ATOM 217 CB TYR A 15 61.246 -9.496 -0.026 1.00 0.00 C ATOM 218 CG TYR A 15 62.748 -9.338 -0.006 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.558 -10.264 -0.674 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.331 -8.266 0.681 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.950 -10.118 -0.657 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.724 -8.120 0.699 1.00 0.00 C ATOM 223 CZ TYR A 15 65.533 -9.047 0.029 1.00 0.00 C ATOM 224 OH TYR A 15 66.905 -8.903 0.047 1.00 0.00 O ATOM 0 H TYR A 15 60.844 -7.021 -0.500 1.00 0.00 H new ATOM 0 HA TYR A 15 61.118 -9.503 -2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.801 -8.949 0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.979 -10.545 0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.109 -11.092 -1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.707 -7.552 1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.574 -10.832 -1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.174 -7.294 1.229 1.00 0.00 H new ATOM 0 HH TYR A 15 67.144 -8.107 0.567 1.00 0.00 H new ATOM 234 N ASP A 16 58.736 -10.398 -1.508 1.00 0.00 N ATOM 235 CA ASP A 16 57.268 -10.671 -1.579 1.00 0.00 C ATOM 236 C ASP A 16 56.660 -10.740 -0.175 1.00 0.00 C ATOM 237 O ASP A 16 57.335 -11.039 0.792 1.00 0.00 O ATOM 238 CB ASP A 16 57.151 -12.024 -2.281 1.00 0.00 C ATOM 239 CG ASP A 16 57.110 -11.813 -3.795 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.167 -11.631 -4.377 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.022 -11.835 -4.348 1.00 0.00 O ATOM 0 H ASP A 16 59.330 -11.226 -1.540 1.00 0.00 H new ATOM 0 HA ASP A 16 56.733 -9.884 -2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.997 -12.658 -2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.249 -12.540 -1.951 1.00 0.00 H new ATOM 246 N TYR A 17 55.384 -10.464 -0.063 1.00 0.00 N ATOM 247 CA TYR A 17 54.710 -10.509 1.270 1.00 0.00 C ATOM 248 C TYR A 17 53.188 -10.421 1.080 1.00 0.00 C ATOM 249 O TYR A 17 52.627 -9.344 0.990 1.00 0.00 O ATOM 250 CB TYR A 17 55.255 -9.286 2.027 1.00 0.00 C ATOM 251 CG TYR A 17 54.510 -9.095 3.331 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.856 -9.854 4.456 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.473 -8.159 3.410 1.00 0.00 C ATOM 254 CE1 TYR A 17 54.163 -9.675 5.659 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.779 -7.981 4.613 1.00 0.00 C ATOM 256 CZ TYR A 17 53.125 -8.739 5.737 1.00 0.00 C ATOM 257 OH TYR A 17 52.442 -8.564 6.923 1.00 0.00 O ATOM 0 H TYR A 17 54.778 -10.208 -0.842 1.00 0.00 H new ATOM 0 HA TYR A 17 54.904 -11.432 1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.319 -9.418 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.154 -8.394 1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.656 -10.576 4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.208 -7.573 2.542 1.00 0.00 H new ATOM 0 HE1 TYR A 17 54.429 -10.259 6.527 1.00 0.00 H new ATOM 0 HE2 TYR A 17 51.978 -7.260 4.673 1.00 0.00 H new ATOM 0 HH TYR A 17 52.936 -7.941 7.496 1.00 0.00 H new ATOM 267 N MET A 18 52.524 -11.547 1.021 1.00 0.00 N ATOM 268 CA MET A 18 51.040 -11.541 0.839 1.00 0.00 C ATOM 269 C MET A 18 50.340 -11.130 2.148 1.00 0.00 C ATOM 270 O MET A 18 50.950 -11.159 3.197 1.00 0.00 O ATOM 271 CB MET A 18 50.669 -12.978 0.450 1.00 0.00 C ATOM 272 CG MET A 18 51.114 -13.955 1.545 1.00 0.00 C ATOM 273 SD MET A 18 50.154 -15.483 1.416 1.00 0.00 S ATOM 274 CE MET A 18 49.019 -15.152 2.787 1.00 0.00 C ATOM 0 H MET A 18 52.946 -12.473 1.091 1.00 0.00 H new ATOM 0 HA MET A 18 50.726 -10.827 0.078 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.592 -13.055 0.299 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.143 -13.240 -0.496 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.178 -14.171 1.444 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.972 -13.506 2.528 1.00 0.00 H new ATOM 0 HE1 MET A 18 48.668 -16.096 3.205 1.00 0.00 H new ATOM 0 HE2 MET A 18 49.537 -14.584 3.559 1.00 0.00 H new ATOM 0 HE3 MET A 18 48.167 -14.577 2.424 1.00 0.00 H new ATOM 284 N PRO A 19 49.075 -10.749 2.055 1.00 0.00 N ATOM 285 CA PRO A 19 48.325 -10.328 3.262 1.00 0.00 C ATOM 286 C PRO A 19 48.080 -11.522 4.190 1.00 0.00 C ATOM 287 O PRO A 19 48.117 -12.663 3.770 1.00 0.00 O ATOM 288 CB PRO A 19 47.008 -9.805 2.673 1.00 0.00 C ATOM 289 CG PRO A 19 47.060 -9.955 1.140 1.00 0.00 C ATOM 290 CD PRO A 19 48.332 -10.714 0.766 1.00 0.00 C ATOM 0 HA PRO A 19 48.849 -9.589 3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.164 -10.363 3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.860 -8.760 2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.181 -10.491 0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.051 -8.975 0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.113 -11.716 0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.896 -10.202 -0.014 1.00 0.00 H new ATOM 298 N MET A 20 47.822 -11.261 5.446 1.00 0.00 N ATOM 299 CA MET A 20 47.565 -12.370 6.412 1.00 0.00 C ATOM 300 C MET A 20 46.073 -12.428 6.743 1.00 0.00 C ATOM 301 O MET A 20 45.445 -13.466 6.647 1.00 0.00 O ATOM 302 CB MET A 20 48.375 -12.012 7.659 1.00 0.00 C ATOM 303 CG MET A 20 49.862 -11.947 7.306 1.00 0.00 C ATOM 304 SD MET A 20 50.609 -13.581 7.525 1.00 0.00 S ATOM 305 CE MET A 20 52.322 -13.027 7.705 1.00 0.00 C ATOM 0 H MET A 20 47.778 -10.323 5.845 1.00 0.00 H new ATOM 0 HA MET A 20 47.849 -13.344 6.013 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.043 -11.053 8.057 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.208 -12.755 8.439 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.987 -11.614 6.276 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.365 -11.218 7.941 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.970 -13.891 7.854 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.628 -12.494 6.805 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.401 -12.362 8.565 1.00 0.00 H new ATOM 315 N ASN A 21 45.508 -11.315 7.131 1.00 0.00 N ATOM 316 CA ASN A 21 44.054 -11.283 7.470 1.00 0.00 C ATOM 317 C ASN A 21 43.346 -10.206 6.646 1.00 0.00 C ATOM 318 O ASN A 21 42.361 -10.466 5.981 1.00 0.00 O ATOM 319 CB ASN A 21 44.003 -10.940 8.959 1.00 0.00 C ATOM 320 CG ASN A 21 42.836 -11.682 9.613 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.041 -12.601 10.383 1.00 0.00 O ATOM 322 ND2 ASN A 21 41.613 -11.322 9.339 1.00 0.00 N ATOM 0 H ASN A 21 45.993 -10.423 7.228 1.00 0.00 H new ATOM 0 HA ASN A 21 43.556 -12.228 7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.941 -11.219 9.440 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.884 -9.865 9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 21 40.829 -11.811 9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 21 41.441 -10.551 8.693 1.00 0.00 H new ATOM 329 N ALA A 22 43.846 -8.999 6.689 1.00 0.00 N ATOM 330 CA ALA A 22 43.215 -7.887 5.911 1.00 0.00 C ATOM 331 C ALA A 22 44.101 -6.639 5.945 1.00 0.00 C ATOM 332 O ALA A 22 44.232 -5.933 4.963 1.00 0.00 O ATOM 333 CB ALA A 22 41.882 -7.611 6.610 1.00 0.00 C ATOM 0 H ALA A 22 44.668 -8.732 7.231 1.00 0.00 H new ATOM 0 HA ALA A 22 43.079 -8.152 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.361 -6.805 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.268 -8.511 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.067 -7.320 7.644 1.00 0.00 H new ATOM 339 N ASN A 23 44.707 -6.365 7.070 1.00 0.00 N ATOM 340 CA ASN A 23 45.589 -5.160 7.182 1.00 0.00 C ATOM 341 C ASN A 23 46.731 -5.218 6.184 1.00 0.00 C ATOM 342 O ASN A 23 46.898 -4.341 5.358 1.00 0.00 O ATOM 343 CB ASN A 23 46.176 -5.208 8.584 1.00 0.00 C ATOM 344 CG ASN A 23 45.295 -4.408 9.545 1.00 0.00 C ATOM 345 OD1 ASN A 23 45.775 -3.545 10.253 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.016 -4.661 9.602 1.00 0.00 N ATOM 0 H ASN A 23 44.631 -6.924 7.920 1.00 0.00 H new ATOM 0 HA ASN A 23 45.019 -4.252 6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.251 -6.242 8.921 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.187 -4.800 8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.420 -4.134 10.241 1.00 0.00 H new ATOM 0 HD22 ASN A 23 43.612 -5.385 9.008 1.00 0.00 H new ATOM 353 N ASP A 24 47.547 -6.228 6.296 1.00 0.00 N ATOM 354 CA ASP A 24 48.734 -6.356 5.402 1.00 0.00 C ATOM 355 C ASP A 24 48.361 -6.143 3.926 1.00 0.00 C ATOM 356 O ASP A 24 47.327 -6.586 3.466 1.00 0.00 O ATOM 357 CB ASP A 24 49.255 -7.777 5.623 1.00 0.00 C ATOM 358 CG ASP A 24 49.740 -7.924 7.066 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.316 -6.978 7.577 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.527 -8.982 7.636 1.00 0.00 O ATOM 0 H ASP A 24 47.442 -6.980 6.977 1.00 0.00 H new ATOM 0 HA ASP A 24 49.483 -5.599 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.466 -8.501 5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.070 -7.989 4.931 1.00 0.00 H new ATOM 365 N LEU A 25 49.204 -5.464 3.192 1.00 0.00 N ATOM 366 CA LEU A 25 48.922 -5.207 1.751 1.00 0.00 C ATOM 367 C LEU A 25 49.717 -6.197 0.899 1.00 0.00 C ATOM 368 O LEU A 25 50.896 -6.399 1.115 1.00 0.00 O ATOM 369 CB LEU A 25 49.388 -3.765 1.500 1.00 0.00 C ATOM 370 CG LEU A 25 48.929 -3.311 0.108 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.400 -3.220 0.072 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.524 -1.933 -0.212 1.00 0.00 C ATOM 0 H LEU A 25 50.082 -5.074 3.533 1.00 0.00 H new ATOM 0 HA LEU A 25 47.870 -5.331 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.980 -3.102 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.474 -3.705 1.574 1.00 0.00 H new ATOM 0 HG LEU A 25 49.270 -4.036 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.078 -2.897 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.972 -4.198 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.061 -2.500 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.195 -1.615 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.188 -1.210 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.612 -1.993 -0.194 1.00 0.00 H new ATOM 384 N GLN A 26 49.075 -6.827 -0.052 1.00 0.00 N ATOM 385 CA GLN A 26 49.786 -7.825 -0.914 1.00 0.00 C ATOM 386 C GLN A 26 50.992 -7.189 -1.610 1.00 0.00 C ATOM 387 O GLN A 26 50.891 -6.670 -2.706 1.00 0.00 O ATOM 388 CB GLN A 26 48.749 -8.292 -1.944 1.00 0.00 C ATOM 389 CG GLN A 26 48.186 -7.088 -2.717 1.00 0.00 C ATOM 390 CD GLN A 26 48.345 -7.314 -4.224 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.411 -7.128 -4.980 1.00 0.00 O ATOM 392 NE2 GLN A 26 49.495 -7.711 -4.694 1.00 0.00 N ATOM 0 H GLN A 26 48.088 -6.694 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 26 50.174 -8.656 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 26 49.207 -8.996 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.939 -8.821 -1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.134 -6.947 -2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.708 -6.178 -2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 26 50.279 -7.867 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 26 49.611 -7.865 -5.696 1.00 0.00 H new ATOM 401 N LEU A 27 52.137 -7.245 -0.980 1.00 0.00 N ATOM 402 CA LEU A 27 53.363 -6.666 -1.594 1.00 0.00 C ATOM 403 C LEU A 27 53.961 -7.659 -2.595 1.00 0.00 C ATOM 404 O LEU A 27 53.350 -8.655 -2.933 1.00 0.00 O ATOM 405 CB LEU A 27 54.319 -6.415 -0.422 1.00 0.00 C ATOM 406 CG LEU A 27 54.135 -4.991 0.105 1.00 0.00 C ATOM 407 CD1 LEU A 27 54.111 -5.011 1.636 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.297 -4.112 -0.367 1.00 0.00 C ATOM 0 H LEU A 27 52.273 -7.669 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 27 53.163 -5.747 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.128 -7.134 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.350 -6.562 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 27 53.195 -4.588 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 27 53.980 -3.996 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 27 53.285 -5.634 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 27 55.051 -5.417 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.163 -3.098 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.236 -4.518 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.320 -4.094 -1.457 1.00 0.00 H new ATOM 420 N ARG A 28 55.144 -7.388 -3.078 1.00 0.00 N ATOM 421 CA ARG A 28 55.792 -8.300 -4.070 1.00 0.00 C ATOM 422 C ARG A 28 57.239 -7.865 -4.308 1.00 0.00 C ATOM 423 O ARG A 28 57.808 -7.125 -3.528 1.00 0.00 O ATOM 424 CB ARG A 28 54.969 -8.143 -5.354 1.00 0.00 C ATOM 425 CG ARG A 28 54.760 -9.514 -6.003 1.00 0.00 C ATOM 426 CD ARG A 28 53.475 -9.494 -6.834 1.00 0.00 C ATOM 427 NE ARG A 28 53.536 -10.727 -7.667 1.00 0.00 N ATOM 428 CZ ARG A 28 52.447 -11.402 -7.914 1.00 0.00 C ATOM 429 NH1 ARG A 28 52.056 -12.333 -7.087 1.00 0.00 N ATOM 430 NH2 ARG A 28 51.750 -11.148 -8.987 1.00 0.00 N ATOM 0 H ARG A 28 55.695 -6.567 -2.827 1.00 0.00 H new ATOM 0 HA ARG A 28 55.817 -9.335 -3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.006 -7.687 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.482 -7.476 -6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.612 -9.762 -6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.698 -10.286 -5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.592 -9.492 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.421 -8.600 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 28 54.429 -11.044 -8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.602 -12.532 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 28 51.205 -12.861 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.056 -10.421 -9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 28 50.899 -11.676 -9.179 1.00 0.00 H new ATOM 444 N LYS A 29 57.833 -8.312 -5.384 1.00 0.00 N ATOM 445 CA LYS A 29 59.235 -7.925 -5.684 1.00 0.00 C ATOM 446 C LYS A 29 59.317 -7.275 -7.067 1.00 0.00 C ATOM 447 O LYS A 29 58.943 -7.863 -8.064 1.00 0.00 O ATOM 448 CB LYS A 29 60.032 -9.231 -5.638 1.00 0.00 C ATOM 449 CG LYS A 29 61.511 -8.945 -5.917 1.00 0.00 C ATOM 450 CD LYS A 29 61.812 -9.198 -7.397 1.00 0.00 C ATOM 451 CE LYS A 29 63.324 -9.317 -7.598 1.00 0.00 C ATOM 452 NZ LYS A 29 63.615 -10.773 -7.470 1.00 0.00 N ATOM 0 H LYS A 29 57.401 -8.932 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 29 59.626 -7.196 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.921 -9.702 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.642 -9.932 -6.376 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.747 -7.913 -5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.139 -9.582 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.318 -10.111 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.417 -8.383 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.623 -8.939 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.868 -8.738 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 64.634 -10.936 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.326 -11.103 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.088 -11.298 -8.197 1.00 0.00 H new ATOM 466 N GLY A 30 59.795 -6.058 -7.125 1.00 0.00 N ATOM 467 CA GLY A 30 59.895 -5.348 -8.431 1.00 0.00 C ATOM 468 C GLY A 30 58.662 -4.462 -8.630 1.00 0.00 C ATOM 469 O GLY A 30 58.696 -3.509 -9.386 1.00 0.00 O ATOM 0 H GLY A 30 60.121 -5.525 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.800 -4.741 -8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.971 -6.070 -9.244 1.00 0.00 H new ATOM 473 N ASP A 31 57.576 -4.763 -7.956 1.00 0.00 N ATOM 474 CA ASP A 31 56.347 -3.932 -8.104 1.00 0.00 C ATOM 475 C ASP A 31 56.476 -2.669 -7.254 1.00 0.00 C ATOM 476 O ASP A 31 57.409 -2.528 -6.491 1.00 0.00 O ATOM 477 CB ASP A 31 55.203 -4.810 -7.595 1.00 0.00 C ATOM 478 CG ASP A 31 54.913 -5.914 -8.614 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.840 -6.622 -8.971 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.769 -6.032 -9.021 1.00 0.00 O ATOM 0 H ASP A 31 57.492 -5.549 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 31 56.180 -3.615 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.468 -5.249 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.310 -4.205 -7.434 1.00 0.00 H new ATOM 485 N GLU A 32 55.553 -1.751 -7.380 1.00 0.00 N ATOM 486 CA GLU A 32 55.630 -0.494 -6.569 1.00 0.00 C ATOM 487 C GLU A 32 54.229 -0.139 -6.062 1.00 0.00 C ATOM 488 O GLU A 32 53.243 -0.667 -6.542 1.00 0.00 O ATOM 489 CB GLU A 32 56.164 0.596 -7.515 1.00 0.00 C ATOM 490 CG GLU A 32 57.357 0.081 -8.332 1.00 0.00 C ATOM 491 CD GLU A 32 56.852 -0.526 -9.642 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.299 0.214 -10.440 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.025 -1.719 -9.825 1.00 0.00 O ATOM 0 H GLU A 32 54.751 -1.815 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 32 56.281 -0.600 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.370 0.919 -8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.465 1.469 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.049 0.897 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.908 -0.666 -7.761 1.00 0.00 H new ATOM 500 N TYR A 33 54.131 0.712 -5.070 1.00 0.00 N ATOM 501 CA TYR A 33 52.791 1.053 -4.505 1.00 0.00 C ATOM 502 C TYR A 33 52.636 2.562 -4.304 1.00 0.00 C ATOM 503 O TYR A 33 53.442 3.353 -4.754 1.00 0.00 O ATOM 504 CB TYR A 33 52.750 0.364 -3.136 1.00 0.00 C ATOM 505 CG TYR A 33 53.321 -1.034 -3.210 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.536 -2.093 -3.675 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.646 -1.257 -2.824 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.078 -3.379 -3.752 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.188 -2.539 -2.903 1.00 0.00 C ATOM 510 CZ TYR A 33 54.405 -3.601 -3.366 1.00 0.00 C ATOM 511 OH TYR A 33 54.941 -4.866 -3.446 1.00 0.00 O ATOM 0 H TYR A 33 54.920 1.184 -4.629 1.00 0.00 H new ATOM 0 HA TYR A 33 51.993 0.733 -5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.315 0.952 -2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.721 0.321 -2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.513 -1.918 -3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.249 -0.437 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.474 -4.200 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.212 -2.712 -2.607 1.00 0.00 H new ATOM 0 HH TYR A 33 55.115 -5.089 -4.384 1.00 0.00 H new ATOM 521 N PHE A 34 51.602 2.950 -3.603 1.00 0.00 N ATOM 522 CA PHE A 34 51.361 4.397 -3.321 1.00 0.00 C ATOM 523 C PHE A 34 51.349 4.635 -1.809 1.00 0.00 C ATOM 524 O PHE A 34 50.651 3.963 -1.076 1.00 0.00 O ATOM 525 CB PHE A 34 49.995 4.704 -3.926 1.00 0.00 C ATOM 526 CG PHE A 34 50.182 5.205 -5.338 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.381 4.296 -6.384 1.00 0.00 C ATOM 528 CD2 PHE A 34 50.168 6.579 -5.598 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.565 4.764 -7.691 1.00 0.00 C ATOM 530 CE2 PHE A 34 50.353 7.047 -6.904 1.00 0.00 C ATOM 531 CZ PHE A 34 50.550 6.139 -7.951 1.00 0.00 C ATOM 0 H PHE A 34 50.906 2.317 -3.209 1.00 0.00 H new ATOM 0 HA PHE A 34 52.137 5.037 -3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.373 3.809 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.478 5.453 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.393 3.235 -6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 34 50.014 7.279 -4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.719 4.064 -8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 34 50.344 8.108 -7.104 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.690 6.500 -8.959 1.00 0.00 H new ATOM 541 N ILE A 35 52.132 5.572 -1.341 1.00 0.00 N ATOM 542 CA ILE A 35 52.197 5.837 0.131 1.00 0.00 C ATOM 543 C ILE A 35 51.244 6.959 0.555 1.00 0.00 C ATOM 544 O ILE A 35 51.175 8.006 -0.058 1.00 0.00 O ATOM 545 CB ILE A 35 53.649 6.254 0.398 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.617 5.159 -0.078 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.857 6.497 1.896 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.311 3.831 0.622 1.00 0.00 C ATOM 0 H ILE A 35 52.731 6.167 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 35 51.898 4.956 0.698 1.00 0.00 H new ATOM 0 HB ILE A 35 53.850 7.173 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.533 5.035 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.644 5.458 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.890 6.793 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.189 7.290 2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.640 5.582 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.006 3.067 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.419 3.954 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.290 3.525 0.392 1.00 0.00 H new ATOM 560 N LEU A 36 50.535 6.740 1.630 1.00 0.00 N ATOM 561 CA LEU A 36 49.601 7.778 2.154 1.00 0.00 C ATOM 562 C LEU A 36 50.129 8.299 3.498 1.00 0.00 C ATOM 563 O LEU A 36 49.923 9.442 3.858 1.00 0.00 O ATOM 564 CB LEU A 36 48.266 7.058 2.342 1.00 0.00 C ATOM 565 CG LEU A 36 47.545 6.959 0.996 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.943 5.658 0.297 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.032 6.972 1.226 1.00 0.00 C ATOM 0 H LEU A 36 50.564 5.877 2.173 1.00 0.00 H new ATOM 0 HA LEU A 36 49.501 8.633 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.433 6.062 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.647 7.598 3.059 1.00 0.00 H new ATOM 0 HG LEU A 36 47.826 7.807 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.429 5.588 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.020 5.648 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.663 4.809 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.518 6.902 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.752 6.124 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.747 7.899 1.723 1.00 0.00 H new ATOM 579 N GLU A 37 50.819 7.460 4.233 1.00 0.00 N ATOM 580 CA GLU A 37 51.384 7.871 5.555 1.00 0.00 C ATOM 581 C GLU A 37 52.263 6.740 6.096 1.00 0.00 C ATOM 582 O GLU A 37 52.071 5.588 5.752 1.00 0.00 O ATOM 583 CB GLU A 37 50.173 8.091 6.466 1.00 0.00 C ATOM 584 CG GLU A 37 50.515 9.139 7.528 1.00 0.00 C ATOM 585 CD GLU A 37 49.257 9.928 7.892 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.991 10.919 7.232 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.580 9.527 8.824 1.00 0.00 O ATOM 0 H GLU A 37 51.017 6.495 3.968 1.00 0.00 H new ATOM 0 HA GLU A 37 51.998 8.769 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.317 8.421 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.889 7.153 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.922 8.653 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 37 51.284 9.814 7.153 1.00 0.00 H new ATOM 594 N GLU A 38 53.224 7.049 6.935 1.00 0.00 N ATOM 595 CA GLU A 38 54.105 5.967 7.480 1.00 0.00 C ATOM 596 C GLU A 38 53.575 5.430 8.812 1.00 0.00 C ATOM 597 O GLU A 38 54.264 4.735 9.533 1.00 0.00 O ATOM 598 CB GLU A 38 55.486 6.607 7.655 1.00 0.00 C ATOM 599 CG GLU A 38 55.399 7.792 8.627 1.00 0.00 C ATOM 600 CD GLU A 38 55.493 9.109 7.851 1.00 0.00 C ATOM 601 OE1 GLU A 38 54.479 9.541 7.329 1.00 0.00 O ATOM 602 OE2 GLU A 38 56.579 9.663 7.793 1.00 0.00 O ATOM 0 H GLU A 38 53.435 7.992 7.263 1.00 0.00 H new ATOM 0 HA GLU A 38 54.141 5.111 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 38 56.193 5.868 8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.864 6.945 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 38 54.461 7.752 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 38 56.204 7.733 9.360 1.00 0.00 H new ATOM 609 N SER A 39 52.345 5.730 9.123 1.00 0.00 N ATOM 610 CA SER A 39 51.707 5.237 10.391 1.00 0.00 C ATOM 611 C SER A 39 52.635 5.342 11.621 1.00 0.00 C ATOM 612 O SER A 39 52.444 4.643 12.596 1.00 0.00 O ATOM 613 CB SER A 39 51.383 3.775 10.101 1.00 0.00 C ATOM 614 OG SER A 39 50.053 3.676 9.609 1.00 0.00 O ATOM 0 H SER A 39 51.737 6.308 8.543 1.00 0.00 H new ATOM 0 HA SER A 39 50.835 5.840 10.646 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.084 3.374 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.493 3.180 11.008 1.00 0.00 H new ATOM 0 HG SER A 39 49.843 2.738 9.420 1.00 0.00 H new ATOM 620 N ASN A 40 53.624 6.206 11.597 1.00 0.00 N ATOM 621 CA ASN A 40 54.549 6.343 12.775 1.00 0.00 C ATOM 622 C ASN A 40 55.112 4.974 13.207 1.00 0.00 C ATOM 623 O ASN A 40 55.506 4.793 14.343 1.00 0.00 O ATOM 624 CB ASN A 40 53.692 6.944 13.892 1.00 0.00 C ATOM 625 CG ASN A 40 53.726 8.470 13.796 1.00 0.00 C ATOM 626 OD1 ASN A 40 52.696 9.108 13.698 1.00 0.00 O ATOM 627 ND2 ASN A 40 54.875 9.088 13.823 1.00 0.00 N ATOM 0 H ASN A 40 53.833 6.824 10.813 1.00 0.00 H new ATOM 0 HA ASN A 40 55.410 6.966 12.534 1.00 0.00 H new ATOM 0 HB2 ASN A 40 52.666 6.587 13.810 1.00 0.00 H new ATOM 0 HB3 ASN A 40 54.065 6.622 14.864 1.00 0.00 H new ATOM 0 HD21 ASN A 40 54.908 10.106 13.762 1.00 0.00 H new ATOM 0 HD22 ASN A 40 55.740 8.553 13.905 1.00 0.00 H new ATOM 634 N LEU A 41 55.156 4.019 12.309 1.00 0.00 N ATOM 635 CA LEU A 41 55.699 2.664 12.663 1.00 0.00 C ATOM 636 C LEU A 41 56.312 1.995 11.409 1.00 0.00 C ATOM 637 O LEU A 41 56.043 2.431 10.307 1.00 0.00 O ATOM 638 CB LEU A 41 54.510 1.852 13.234 1.00 0.00 C ATOM 639 CG LEU A 41 53.260 1.942 12.338 1.00 0.00 C ATOM 640 CD1 LEU A 41 53.169 0.699 11.458 1.00 0.00 C ATOM 641 CD2 LEU A 41 52.011 2.013 13.226 1.00 0.00 C ATOM 0 H LEU A 41 54.839 4.117 11.344 1.00 0.00 H new ATOM 0 HA LEU A 41 56.498 2.723 13.402 1.00 0.00 H new ATOM 0 HB2 LEU A 41 54.804 0.808 13.341 1.00 0.00 H new ATOM 0 HB3 LEU A 41 54.267 2.219 14.231 1.00 0.00 H new ATOM 0 HG LEU A 41 53.327 2.831 11.711 1.00 0.00 H new ATOM 0 HD11 LEU A 41 52.284 0.765 10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.059 0.631 10.832 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.099 -0.188 12.087 1.00 0.00 H new ATOM 0 HD21 LEU A 41 51.122 2.077 12.599 1.00 0.00 H new ATOM 0 HD22 LEU A 41 51.954 1.118 13.846 1.00 0.00 H new ATOM 0 HD23 LEU A 41 52.068 2.894 13.865 1.00 0.00 H new ATOM 653 N PRO A 42 57.145 0.968 11.596 1.00 0.00 N ATOM 654 CA PRO A 42 57.802 0.287 10.439 1.00 0.00 C ATOM 655 C PRO A 42 56.812 -0.039 9.313 1.00 0.00 C ATOM 656 O PRO A 42 57.088 0.217 8.158 1.00 0.00 O ATOM 657 CB PRO A 42 58.381 -0.980 11.081 1.00 0.00 C ATOM 658 CG PRO A 42 58.055 -0.960 12.587 1.00 0.00 C ATOM 659 CD PRO A 42 57.475 0.416 12.939 1.00 0.00 C ATOM 0 HA PRO A 42 58.554 0.907 9.951 1.00 0.00 H new ATOM 0 HB2 PRO A 42 57.957 -1.869 10.614 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.459 -1.023 10.928 1.00 0.00 H new ATOM 0 HG2 PRO A 42 57.341 -1.746 12.831 1.00 0.00 H new ATOM 0 HG3 PRO A 42 58.954 -1.154 13.172 1.00 0.00 H new ATOM 0 HD2 PRO A 42 56.593 0.336 13.575 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.195 1.038 13.470 1.00 0.00 H new ATOM 667 N TRP A 43 55.666 -0.577 9.632 1.00 0.00 N ATOM 668 CA TRP A 43 54.670 -0.889 8.562 1.00 0.00 C ATOM 669 C TRP A 43 53.998 0.416 8.131 1.00 0.00 C ATOM 670 O TRP A 43 53.916 1.354 8.903 1.00 0.00 O ATOM 671 CB TRP A 43 53.666 -1.837 9.215 1.00 0.00 C ATOM 672 CG TRP A 43 54.321 -3.150 9.466 1.00 0.00 C ATOM 673 CD1 TRP A 43 54.945 -3.473 10.606 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.427 -4.310 8.591 1.00 0.00 C ATOM 675 NE1 TRP A 43 55.437 -4.761 10.503 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.142 -5.320 9.276 1.00 0.00 C ATOM 677 CE3 TRP A 43 53.978 -4.582 7.287 1.00 0.00 C ATOM 678 CZ2 TRP A 43 55.403 -6.558 8.689 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.239 -5.827 6.692 1.00 0.00 C ATOM 680 CH2 TRP A 43 54.950 -6.813 7.391 1.00 0.00 C ATOM 0 H TRP A 43 55.376 -0.814 10.581 1.00 0.00 H new ATOM 0 HA TRP A 43 55.113 -1.343 7.675 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.304 -1.413 10.152 1.00 0.00 H new ATOM 0 HB3 TRP A 43 52.798 -1.968 8.568 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.048 -2.830 11.468 1.00 0.00 H new ATOM 0 HE1 TRP A 43 55.954 -5.239 11.242 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.429 -3.830 6.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 55.951 -7.314 9.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 53.890 -6.026 5.690 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.147 -7.768 6.927 1.00 0.00 H new ATOM 691 N TRP A 44 53.556 0.511 6.902 1.00 0.00 N ATOM 692 CA TRP A 44 52.938 1.790 6.440 1.00 0.00 C ATOM 693 C TRP A 44 51.439 1.614 6.184 1.00 0.00 C ATOM 694 O TRP A 44 50.827 0.674 6.635 1.00 0.00 O ATOM 695 CB TRP A 44 53.664 2.082 5.122 1.00 0.00 C ATOM 696 CG TRP A 44 55.021 2.679 5.347 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.536 3.108 6.526 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.041 2.921 4.346 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.814 3.595 6.302 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.168 3.499 4.968 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.085 2.689 2.965 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.308 3.839 4.236 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.223 3.026 2.223 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.336 3.601 2.856 1.00 0.00 C ATOM 0 H TRP A 44 53.596 -0.233 6.206 1.00 0.00 H new ATOM 0 HA TRP A 44 53.032 2.589 7.175 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.764 1.159 4.551 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.063 2.764 4.521 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.033 3.075 7.481 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.418 3.977 7.030 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.234 2.246 2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.160 4.282 4.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.245 2.843 1.159 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.212 3.859 2.280 1.00 0.00 H new ATOM 715 N ARG A 45 50.864 2.519 5.441 1.00 0.00 N ATOM 716 CA ARG A 45 49.424 2.433 5.089 1.00 0.00 C ATOM 717 C ARG A 45 49.311 2.848 3.624 1.00 0.00 C ATOM 718 O ARG A 45 48.700 3.844 3.285 1.00 0.00 O ATOM 719 CB ARG A 45 48.713 3.430 6.005 1.00 0.00 C ATOM 720 CG ARG A 45 47.207 3.383 5.741 1.00 0.00 C ATOM 721 CD ARG A 45 46.571 2.286 6.599 1.00 0.00 C ATOM 722 NE ARG A 45 45.113 2.591 6.593 1.00 0.00 N ATOM 723 CZ ARG A 45 44.529 3.002 7.685 1.00 0.00 C ATOM 724 NH1 ARG A 45 45.093 3.919 8.423 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.380 2.495 8.041 1.00 0.00 N ATOM 0 H ARG A 45 51.346 3.332 5.056 1.00 0.00 H new ATOM 0 HA ARG A 45 48.989 1.441 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.917 3.191 7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 45 49.092 4.436 5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.756 4.348 5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.018 3.189 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.769 1.297 6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.972 2.295 7.612 1.00 0.00 H new ATOM 0 HE ARG A 45 44.572 2.479 5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 45 45.991 4.315 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 45 44.635 4.239 9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 45 42.939 1.778 7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 45 42.923 2.816 8.895 1.00 0.00 H new ATOM 739 N ALA A 46 49.952 2.103 2.763 1.00 0.00 N ATOM 740 CA ALA A 46 49.964 2.441 1.312 1.00 0.00 C ATOM 741 C ALA A 46 49.047 1.508 0.527 1.00 0.00 C ATOM 742 O ALA A 46 48.673 0.451 1.000 1.00 0.00 O ATOM 743 CB ALA A 46 51.426 2.230 0.898 1.00 0.00 C ATOM 0 H ALA A 46 50.475 1.263 3.009 1.00 0.00 H new ATOM 0 HA ALA A 46 49.608 3.452 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.540 2.455 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.068 2.891 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.710 1.194 1.082 1.00 0.00 H new ATOM 749 N ARG A 47 48.693 1.887 -0.676 1.00 0.00 N ATOM 750 CA ARG A 47 47.811 1.015 -1.501 1.00 0.00 C ATOM 751 C ARG A 47 48.596 0.456 -2.681 1.00 0.00 C ATOM 752 O ARG A 47 49.630 0.978 -3.051 1.00 0.00 O ATOM 753 CB ARG A 47 46.689 1.914 -2.003 1.00 0.00 C ATOM 754 CG ARG A 47 45.809 2.339 -0.831 1.00 0.00 C ATOM 755 CD ARG A 47 45.321 3.773 -1.049 1.00 0.00 C ATOM 756 NE ARG A 47 44.941 4.260 0.306 1.00 0.00 N ATOM 757 CZ ARG A 47 43.714 4.634 0.545 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.102 5.434 -0.285 1.00 0.00 N ATOM 759 NH2 ARG A 47 43.098 4.210 1.615 1.00 0.00 N ATOM 0 H ARG A 47 48.977 2.761 -1.119 1.00 0.00 H new ATOM 0 HA ARG A 47 47.425 0.172 -0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.106 2.793 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.092 1.386 -2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.958 1.664 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.370 2.273 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 47 46.103 4.394 -1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.472 3.802 -1.731 1.00 0.00 H new ATOM 0 HE ARG A 47 45.640 4.301 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.583 5.767 -1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.143 5.726 -0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 47 43.576 3.586 2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 47 42.139 4.503 1.801 1.00 0.00 H new ATOM 773 N ASP A 48 48.109 -0.597 -3.275 1.00 0.00 N ATOM 774 CA ASP A 48 48.819 -1.199 -4.435 1.00 0.00 C ATOM 775 C ASP A 48 48.151 -0.764 -5.749 1.00 0.00 C ATOM 776 O ASP A 48 47.580 0.309 -5.832 1.00 0.00 O ATOM 777 CB ASP A 48 48.700 -2.711 -4.207 1.00 0.00 C ATOM 778 CG ASP A 48 47.227 -3.134 -4.223 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.478 -2.630 -3.402 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.874 -3.954 -5.055 1.00 0.00 O ATOM 0 H ASP A 48 47.246 -1.068 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 48 49.860 -0.885 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.248 -3.247 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.153 -2.979 -3.252 1.00 0.00 H new ATOM 785 N LYS A 49 48.220 -1.580 -6.772 1.00 0.00 N ATOM 786 CA LYS A 49 47.594 -1.213 -8.077 1.00 0.00 C ATOM 787 C LYS A 49 46.173 -1.778 -8.162 1.00 0.00 C ATOM 788 O LYS A 49 45.762 -2.292 -9.185 1.00 0.00 O ATOM 789 CB LYS A 49 48.492 -1.853 -9.139 1.00 0.00 C ATOM 790 CG LYS A 49 48.668 -0.887 -10.312 1.00 0.00 C ATOM 791 CD LYS A 49 47.461 -0.992 -11.247 1.00 0.00 C ATOM 792 CE LYS A 49 46.427 0.071 -10.870 1.00 0.00 C ATOM 793 NZ LYS A 49 46.695 1.212 -11.789 1.00 0.00 N ATOM 0 H LYS A 49 48.685 -2.488 -6.758 1.00 0.00 H new ATOM 0 HA LYS A 49 47.513 -0.134 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.463 -2.099 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.052 -2.787 -9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 49 48.768 0.134 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 49 49.583 -1.121 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 49 47.777 -0.856 -12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 49 47.019 -1.986 -11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 49 45.411 -0.305 -10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 49 46.531 0.371 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 46.024 1.982 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.667 1.553 -11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 46.581 0.898 -12.774 1.00 0.00 H new ATOM 807 N ASN A 50 45.422 -1.680 -7.095 1.00 0.00 N ATOM 808 CA ASN A 50 44.029 -2.200 -7.101 1.00 0.00 C ATOM 809 C ASN A 50 43.121 -1.321 -6.229 1.00 0.00 C ATOM 810 O ASN A 50 42.047 -1.733 -5.834 1.00 0.00 O ATOM 811 CB ASN A 50 44.128 -3.612 -6.522 1.00 0.00 C ATOM 812 CG ASN A 50 44.847 -4.523 -7.519 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.484 -4.584 -8.676 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.862 -5.238 -7.114 1.00 0.00 N ATOM 0 H ASN A 50 45.720 -1.258 -6.215 1.00 0.00 H new ATOM 0 HA ASN A 50 43.597 -2.199 -8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.669 -3.592 -5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.132 -4.001 -6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.350 -5.848 -7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.167 -5.186 -6.142 1.00 0.00 H new ATOM 821 N GLY A 51 43.543 -0.114 -5.929 1.00 0.00 N ATOM 822 CA GLY A 51 42.704 0.791 -5.087 1.00 0.00 C ATOM 823 C GLY A 51 42.485 0.163 -3.709 1.00 0.00 C ATOM 824 O GLY A 51 41.480 0.400 -3.065 1.00 0.00 O ATOM 0 H GLY A 51 44.433 0.281 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.192 1.760 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.744 0.968 -5.573 1.00 0.00 H new ATOM 828 N GLN A 52 43.418 -0.633 -3.253 1.00 0.00 N ATOM 829 CA GLN A 52 43.270 -1.279 -1.916 1.00 0.00 C ATOM 830 C GLN A 52 44.425 -0.870 -0.999 1.00 0.00 C ATOM 831 O GLN A 52 45.582 -0.989 -1.355 1.00 0.00 O ATOM 832 CB GLN A 52 43.317 -2.782 -2.195 1.00 0.00 C ATOM 833 CG GLN A 52 41.900 -3.298 -2.452 1.00 0.00 C ATOM 834 CD GLN A 52 41.868 -4.816 -2.262 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.293 -5.557 -3.126 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.377 -5.313 -1.159 1.00 0.00 N ATOM 0 H GLN A 52 44.278 -0.863 -3.751 1.00 0.00 H new ATOM 0 HA GLN A 52 42.347 -0.984 -1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.951 -2.983 -3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.758 -3.306 -1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.198 -2.820 -1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.586 -3.041 -3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.020 -4.691 -0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.350 -6.323 -1.023 1.00 0.00 H new ATOM 845 N GLU A 53 44.116 -0.394 0.180 1.00 0.00 N ATOM 846 CA GLU A 53 45.191 0.026 1.133 1.00 0.00 C ATOM 847 C GLU A 53 45.500 -1.112 2.112 1.00 0.00 C ATOM 848 O GLU A 53 44.687 -1.994 2.320 1.00 0.00 O ATOM 849 CB GLU A 53 44.619 1.241 1.878 1.00 0.00 C ATOM 850 CG GLU A 53 43.334 0.851 2.625 1.00 0.00 C ATOM 851 CD GLU A 53 42.121 1.498 1.950 1.00 0.00 C ATOM 852 OE1 GLU A 53 42.005 1.377 0.742 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.331 2.104 2.655 1.00 0.00 O ATOM 0 H GLU A 53 43.164 -0.277 0.526 1.00 0.00 H new ATOM 0 HA GLU A 53 46.123 0.269 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.356 1.624 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.408 2.043 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 53 43.222 -0.233 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.396 1.171 3.665 1.00 0.00 H new ATOM 860 N GLY A 54 46.660 -1.092 2.720 1.00 0.00 N ATOM 861 CA GLY A 54 47.012 -2.168 3.693 1.00 0.00 C ATOM 862 C GLY A 54 48.218 -1.724 4.512 1.00 0.00 C ATOM 863 O GLY A 54 48.236 -0.633 5.049 1.00 0.00 O ATOM 0 H GLY A 54 47.376 -0.378 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.166 -2.373 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.237 -3.094 3.164 1.00 0.00 H new ATOM 867 N TYR A 55 49.227 -2.554 4.616 1.00 0.00 N ATOM 868 CA TYR A 55 50.426 -2.161 5.404 1.00 0.00 C ATOM 869 C TYR A 55 51.722 -2.534 4.677 1.00 0.00 C ATOM 870 O TYR A 55 51.919 -3.659 4.265 1.00 0.00 O ATOM 871 CB TYR A 55 50.305 -2.911 6.731 1.00 0.00 C ATOM 872 CG TYR A 55 49.447 -2.112 7.684 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.034 -1.157 8.522 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.064 -2.328 7.729 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.239 -0.417 9.406 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.269 -1.588 8.612 1.00 0.00 C ATOM 877 CZ TYR A 55 47.857 -0.632 9.451 1.00 0.00 C ATOM 878 OH TYR A 55 47.073 0.097 10.321 1.00 0.00 O ATOM 0 H TYR A 55 49.268 -3.480 4.191 1.00 0.00 H new ATOM 0 HA TYR A 55 50.468 -1.082 5.551 1.00 0.00 H new ATOM 0 HB2 TYR A 55 49.865 -3.895 6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.293 -3.072 7.162 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.101 -0.991 8.487 1.00 0.00 H new ATOM 0 HD2 TYR A 55 47.611 -3.065 7.083 1.00 0.00 H new ATOM 0 HE1 TYR A 55 49.692 0.319 10.053 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.202 -1.754 8.647 1.00 0.00 H new ATOM 0 HH TYR A 55 46.137 -0.175 10.224 1.00 0.00 H new ATOM 888 N ILE A 56 52.603 -1.575 4.518 1.00 0.00 N ATOM 889 CA ILE A 56 53.898 -1.828 3.808 1.00 0.00 C ATOM 890 C ILE A 56 55.105 -1.536 4.733 1.00 0.00 C ATOM 891 O ILE A 56 55.258 -0.411 5.167 1.00 0.00 O ATOM 892 CB ILE A 56 53.896 -0.815 2.647 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.656 -1.006 1.766 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.153 -0.996 1.802 1.00 0.00 C ATOM 895 CD1 ILE A 56 52.579 -2.456 1.314 1.00 0.00 C ATOM 0 H ILE A 56 52.479 -0.619 4.853 1.00 0.00 H new ATOM 0 HA ILE A 56 53.986 -2.865 3.483 1.00 0.00 H new ATOM 0 HB ILE A 56 53.878 0.191 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.757 -0.738 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.705 -0.345 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.147 -0.278 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 56 56.035 -0.832 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.177 -2.008 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 56 51.698 -2.595 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 56 53.473 -2.707 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 56 52.510 -3.106 2.186 1.00 0.00 H new ATOM 907 N PRO A 57 55.953 -2.524 5.001 1.00 0.00 N ATOM 908 CA PRO A 57 57.139 -2.266 5.856 1.00 0.00 C ATOM 909 C PRO A 57 58.065 -1.263 5.153 1.00 0.00 C ATOM 910 O PRO A 57 58.469 -1.469 4.026 1.00 0.00 O ATOM 911 CB PRO A 57 57.790 -3.648 5.968 1.00 0.00 C ATOM 912 CG PRO A 57 56.943 -4.660 5.173 1.00 0.00 C ATOM 913 CD PRO A 57 55.792 -3.913 4.491 1.00 0.00 C ATOM 0 HA PRO A 57 56.906 -1.837 6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.808 -3.619 5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.857 -3.950 7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.559 -5.165 4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.552 -5.430 5.838 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.869 -3.957 3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.822 -4.333 4.759 1.00 0.00 H new ATOM 921 N SER A 58 58.380 -0.171 5.802 1.00 0.00 N ATOM 922 CA SER A 58 59.258 0.871 5.170 1.00 0.00 C ATOM 923 C SER A 58 60.585 0.275 4.682 1.00 0.00 C ATOM 924 O SER A 58 61.194 0.782 3.759 1.00 0.00 O ATOM 925 CB SER A 58 59.517 1.896 6.274 1.00 0.00 C ATOM 926 OG SER A 58 60.457 1.365 7.198 1.00 0.00 O ATOM 0 H SER A 58 58.067 0.048 6.748 1.00 0.00 H new ATOM 0 HA SER A 58 58.780 1.308 4.293 1.00 0.00 H new ATOM 0 HB2 SER A 58 59.897 2.823 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 58 58.586 2.140 6.785 1.00 0.00 H new ATOM 0 HG SER A 58 60.626 2.021 7.906 1.00 0.00 H new ATOM 932 N ASN A 59 61.042 -0.780 5.301 1.00 0.00 N ATOM 933 CA ASN A 59 62.339 -1.397 4.883 1.00 0.00 C ATOM 934 C ASN A 59 62.155 -2.252 3.626 1.00 0.00 C ATOM 935 O ASN A 59 62.995 -2.281 2.747 1.00 0.00 O ATOM 936 CB ASN A 59 62.765 -2.250 6.088 1.00 0.00 C ATOM 937 CG ASN A 59 61.874 -3.492 6.238 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.736 -3.390 6.650 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.351 -4.664 5.920 1.00 0.00 N ATOM 0 H ASN A 59 60.574 -1.244 6.080 1.00 0.00 H new ATOM 0 HA ASN A 59 63.093 -0.653 4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.804 -2.558 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.712 -1.651 6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.768 -5.495 6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.307 -4.749 5.574 1.00 0.00 H new ATOM 946 N TYR A 60 61.066 -2.958 3.561 1.00 0.00 N ATOM 947 CA TYR A 60 60.802 -3.848 2.385 1.00 0.00 C ATOM 948 C TYR A 60 60.499 -3.045 1.107 1.00 0.00 C ATOM 949 O TYR A 60 60.371 -3.617 0.041 1.00 0.00 O ATOM 950 CB TYR A 60 59.587 -4.687 2.788 1.00 0.00 C ATOM 951 CG TYR A 60 60.053 -5.991 3.395 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.741 -6.923 2.608 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.801 -6.268 4.744 1.00 0.00 C ATOM 954 CE1 TYR A 60 61.175 -8.131 3.171 1.00 0.00 C ATOM 955 CE2 TYR A 60 60.234 -7.474 5.306 1.00 0.00 C ATOM 956 CZ TYR A 60 60.921 -8.406 4.519 1.00 0.00 C ATOM 957 OH TYR A 60 61.349 -9.595 5.073 1.00 0.00 O ATOM 0 H TYR A 60 60.337 -2.962 4.274 1.00 0.00 H new ATOM 0 HA TYR A 60 61.676 -4.457 2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.975 -4.139 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.961 -4.882 1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.937 -6.711 1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.271 -5.549 5.352 1.00 0.00 H new ATOM 0 HE1 TYR A 60 61.706 -8.850 2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 60 60.038 -7.686 6.347 1.00 0.00 H new ATOM 0 HH TYR A 60 61.092 -9.627 6.018 1.00 0.00 H new ATOM 967 N VAL A 61 60.384 -1.738 1.190 1.00 0.00 N ATOM 968 CA VAL A 61 60.096 -0.939 -0.047 1.00 0.00 C ATOM 969 C VAL A 61 61.021 0.275 -0.146 1.00 0.00 C ATOM 970 O VAL A 61 61.662 0.665 0.810 1.00 0.00 O ATOM 971 CB VAL A 61 58.639 -0.478 0.068 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.716 -1.697 0.077 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.443 0.321 1.361 1.00 0.00 C ATOM 0 H VAL A 61 60.476 -1.196 2.049 1.00 0.00 H new ATOM 0 HA VAL A 61 60.261 -1.541 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 61 58.398 0.157 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.680 -1.368 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.846 -2.259 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.963 -2.334 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.405 0.645 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.689 -0.307 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.096 1.194 1.352 1.00 0.00 H new ATOM 983 N THR A 62 61.075 0.875 -1.306 1.00 0.00 N ATOM 984 CA THR A 62 61.936 2.077 -1.502 1.00 0.00 C ATOM 985 C THR A 62 61.156 3.122 -2.323 1.00 0.00 C ATOM 986 O THR A 62 59.989 3.350 -2.069 1.00 0.00 O ATOM 987 CB THR A 62 63.176 1.552 -2.243 1.00 0.00 C ATOM 988 OG1 THR A 62 64.081 2.626 -2.463 1.00 0.00 O ATOM 989 CG2 THR A 62 62.768 0.948 -3.588 1.00 0.00 C ATOM 0 H THR A 62 60.555 0.581 -2.133 1.00 0.00 H new ATOM 0 HA THR A 62 62.227 2.570 -0.574 1.00 0.00 H new ATOM 0 HB THR A 62 63.655 0.782 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.874 2.294 -2.934 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.654 0.579 -4.105 1.00 0.00 H new ATOM 0 HG22 THR A 62 62.075 0.123 -3.421 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.284 1.711 -4.198 1.00 0.00 H new ATOM 997 N GLU A 63 61.768 3.756 -3.297 1.00 0.00 N ATOM 998 CA GLU A 63 61.030 4.768 -4.110 1.00 0.00 C ATOM 999 C GLU A 63 60.384 4.093 -5.323 1.00 0.00 C ATOM 1000 O GLU A 63 60.917 3.148 -5.874 1.00 0.00 O ATOM 1001 CB GLU A 63 62.092 5.775 -4.555 1.00 0.00 C ATOM 1002 CG GLU A 63 62.629 6.522 -3.332 1.00 0.00 C ATOM 1003 CD GLU A 63 64.095 6.892 -3.564 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.874 5.996 -3.843 1.00 0.00 O ATOM 1005 OE2 GLU A 63 64.414 8.064 -3.458 1.00 0.00 O ATOM 0 H GLU A 63 62.743 3.615 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 63 60.230 5.249 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 63 62.905 5.260 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 63 61.664 6.481 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.040 7.421 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 63 62.536 5.899 -2.442 1.00 0.00 H new ATOM 1012 N ALA A 64 59.235 4.568 -5.739 1.00 0.00 N ATOM 1013 CA ALA A 64 58.538 3.951 -6.916 1.00 0.00 C ATOM 1014 C ALA A 64 59.469 3.902 -8.134 1.00 0.00 C ATOM 1015 O ALA A 64 59.566 2.895 -8.810 1.00 0.00 O ATOM 1016 CB ALA A 64 57.345 4.864 -7.199 1.00 0.00 C ATOM 0 H ALA A 64 58.748 5.357 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 64 58.232 2.925 -6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.784 4.477 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.697 4.898 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.702 5.869 -7.426 1.00 0.00 H new ATOM 1022 N GLU A 65 60.151 4.984 -8.413 1.00 0.00 N ATOM 1023 CA GLU A 65 61.078 5.012 -9.584 1.00 0.00 C ATOM 1024 C GLU A 65 62.347 5.795 -9.233 1.00 0.00 C ATOM 1025 O GLU A 65 63.434 5.251 -9.206 1.00 0.00 O ATOM 1026 CB GLU A 65 60.297 5.723 -10.690 1.00 0.00 C ATOM 1027 CG GLU A 65 59.444 4.705 -11.449 1.00 0.00 C ATOM 1028 CD GLU A 65 60.225 4.181 -12.655 1.00 0.00 C ATOM 1029 OE1 GLU A 65 61.369 3.798 -12.474 1.00 0.00 O ATOM 1030 OE2 GLU A 65 59.667 4.171 -13.739 1.00 0.00 O ATOM 0 H GLU A 65 60.105 5.851 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 65 61.394 4.014 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 65 59.661 6.497 -10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.985 6.219 -11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 65 59.174 3.879 -10.791 1.00 0.00 H new ATOM 0 HG3 GLU A 65 58.514 5.168 -11.778 1.00 0.00 H new ATOM 1037 N ASP A 66 62.213 7.073 -8.965 1.00 0.00 N ATOM 1038 CA ASP A 66 63.405 7.914 -8.610 1.00 0.00 C ATOM 1039 C ASP A 66 64.504 7.776 -9.673 1.00 0.00 C ATOM 1040 O ASP A 66 64.326 7.116 -10.677 1.00 0.00 O ATOM 1041 CB ASP A 66 63.894 7.382 -7.261 1.00 0.00 C ATOM 1042 CG ASP A 66 64.391 8.547 -6.401 1.00 0.00 C ATOM 1043 OD1 ASP A 66 63.726 9.570 -6.383 1.00 0.00 O ATOM 1044 OD2 ASP A 66 65.426 8.395 -5.775 1.00 0.00 O ATOM 0 H ASP A 66 61.324 7.574 -8.977 1.00 0.00 H new ATOM 0 HA ASP A 66 63.149 8.972 -8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 66 63.086 6.858 -6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 66 64.696 6.660 -7.412 1.00 0.00 H new ATOM 1049 N SER A 67 65.636 8.400 -9.453 1.00 0.00 N ATOM 1050 CA SER A 67 66.766 8.321 -10.438 1.00 0.00 C ATOM 1051 C SER A 67 66.283 8.645 -11.860 1.00 0.00 C ATOM 1052 O SER A 67 65.260 9.300 -11.982 1.00 0.00 O ATOM 1053 CB SER A 67 67.280 6.880 -10.345 1.00 0.00 C ATOM 1054 OG SER A 67 66.490 6.029 -11.168 1.00 0.00 O ATOM 1055 OXT SER A 67 66.945 8.232 -12.798 1.00 0.00 O ATOM 0 H SER A 67 65.829 8.966 -8.627 1.00 0.00 H new ATOM 0 HA SER A 67 67.549 9.045 -10.215 1.00 0.00 H new ATOM 0 HB2 SER A 67 68.323 6.836 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 67 67.242 6.537 -9.311 1.00 0.00 H new ATOM 0 HG SER A 67 65.565 6.028 -10.845 1.00 0.00 H new TER 1061 SER A 67