USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 759 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 13 GLN : amide:sc= -0.706 K(o=1.3,f=-8.2!) USER MOD Set 1.2: A 88 SER OG : rot 61:sc= 2.03 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -107:sc= -0.955 (180deg=-3.7!) USER MOD Single : A 11 THR OG1 : rot 160:sc= -1.04 USER MOD Single : A 12 LYS NZ :NH3+ -157:sc= -0.0697 (180deg=-0.49) USER MOD Single : A 17 THR OG1 : rot 47:sc= 0.221 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.0299 USER MOD Single : A 29 CYS SG : rot -109:sc= -0.997 USER MOD Single : A 32 SER OG : rot 150:sc= -0.681 USER MOD Single : A 37 ASN : amide:sc= 0.0594 X(o=0.059,f=-0.00043) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -0.0965 (180deg=-2.39!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -149:sc= 0.485 USER MOD Single : A 55 TYR OH : rot 30:sc= -0.717 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.98 X(o=-2,f=-1.6) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 0.0185 (180deg=0.00169) USER MOD Single : A 79 TYR OH : rot -27:sc= 1.25 USER MOD Single : A 80 SER OG : rot 170:sc= -1.26 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 121:sc= 0.619 USER MOD Single : A 84 THR OG1 : rot 166:sc= -1.64 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= -0.0838 (180deg=-0.394) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -61:sc= 0.229 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.025 -2.984 2.293 1.00 0.00 N ATOM 2 CA GLY A 1 -34.649 -4.141 3.083 1.00 0.00 C ATOM 3 C GLY A 1 -33.234 -4.604 2.796 1.00 0.00 C ATOM 4 O GLY A 1 -32.310 -4.301 3.550 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.000 -2.707 2.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.381 -2.195 2.504 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.964 -3.219 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.741 -3.900 4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.343 -4.957 2.880 1.00 0.00 H new ATOM 8 N SER A 2 -33.065 -5.343 1.704 1.00 0.00 N ATOM 9 CA SER A 2 -31.753 -5.854 1.323 1.00 0.00 C ATOM 10 C SER A 2 -31.494 -5.628 -0.164 1.00 0.00 C ATOM 11 O SER A 2 -31.924 -6.416 -1.007 1.00 0.00 O ATOM 12 CB SER A 2 -31.648 -7.344 1.650 1.00 0.00 C ATOM 13 OG SER A 2 -30.413 -7.878 1.206 1.00 0.00 O ATOM 0 H SER A 2 -33.819 -5.601 1.068 1.00 0.00 H new ATOM 0 HA SER A 2 -30.999 -5.311 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.746 -7.491 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.471 -7.882 1.179 1.00 0.00 H new ATOM 0 HG SER A 2 -30.370 -8.831 1.428 1.00 0.00 H new ATOM 19 N SER A 3 -30.789 -4.547 -0.478 1.00 0.00 N ATOM 20 CA SER A 3 -30.475 -4.214 -1.863 1.00 0.00 C ATOM 21 C SER A 3 -29.499 -3.043 -1.932 1.00 0.00 C ATOM 22 O SER A 3 -29.565 -2.116 -1.126 1.00 0.00 O ATOM 23 CB SER A 3 -31.753 -3.873 -2.630 1.00 0.00 C ATOM 24 OG SER A 3 -32.237 -2.590 -2.271 1.00 0.00 O ATOM 0 H SER A 3 -30.424 -3.886 0.208 1.00 0.00 H new ATOM 0 HA SER A 3 -30.005 -5.084 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.557 -3.904 -3.702 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.516 -4.624 -2.424 1.00 0.00 H new ATOM 0 HG SER A 3 -33.054 -2.395 -2.777 1.00 0.00 H new ATOM 30 N GLY A 4 -28.591 -3.094 -2.903 1.00 0.00 N ATOM 31 CA GLY A 4 -27.614 -2.033 -3.061 1.00 0.00 C ATOM 32 C GLY A 4 -26.454 -2.441 -3.947 1.00 0.00 C ATOM 33 O GLY A 4 -26.511 -3.469 -4.621 1.00 0.00 O ATOM 0 H GLY A 4 -28.515 -3.851 -3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.101 -1.155 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.235 -1.744 -2.081 1.00 0.00 H new ATOM 37 N SER A 5 -25.399 -1.632 -3.949 1.00 0.00 N ATOM 38 CA SER A 5 -24.223 -1.911 -4.763 1.00 0.00 C ATOM 39 C SER A 5 -23.182 -2.690 -3.966 1.00 0.00 C ATOM 40 O SER A 5 -22.207 -2.121 -3.474 1.00 0.00 O ATOM 41 CB SER A 5 -23.614 -0.606 -5.281 1.00 0.00 C ATOM 42 OG SER A 5 -24.504 0.058 -6.162 1.00 0.00 O ATOM 0 H SER A 5 -25.335 -0.778 -3.395 1.00 0.00 H new ATOM 0 HA SER A 5 -24.535 -2.520 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.375 0.046 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.677 -0.818 -5.797 1.00 0.00 H new ATOM 0 HG SER A 5 -24.092 0.889 -6.478 1.00 0.00 H new ATOM 48 N SER A 6 -23.396 -3.996 -3.842 1.00 0.00 N ATOM 49 CA SER A 6 -22.479 -4.854 -3.100 1.00 0.00 C ATOM 50 C SER A 6 -21.029 -4.501 -3.417 1.00 0.00 C ATOM 51 O SER A 6 -20.520 -4.822 -4.490 1.00 0.00 O ATOM 52 CB SER A 6 -22.742 -6.324 -3.432 1.00 0.00 C ATOM 53 OG SER A 6 -22.307 -7.170 -2.381 1.00 0.00 O ATOM 0 H SER A 6 -24.196 -4.483 -4.246 1.00 0.00 H new ATOM 0 HA SER A 6 -22.650 -4.693 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.807 -6.475 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.226 -6.590 -4.354 1.00 0.00 H new ATOM 0 HG SER A 6 -22.488 -8.104 -2.617 1.00 0.00 H new ATOM 59 N GLY A 7 -20.368 -3.837 -2.472 1.00 0.00 N ATOM 60 CA GLY A 7 -18.983 -3.451 -2.668 1.00 0.00 C ATOM 61 C GLY A 7 -18.411 -2.719 -1.471 1.00 0.00 C ATOM 62 O GLY A 7 -19.142 -2.357 -0.549 1.00 0.00 O ATOM 0 H GLY A 7 -20.767 -3.560 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.385 -4.341 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.908 -2.814 -3.550 1.00 0.00 H new ATOM 66 N ILE A 8 -17.100 -2.503 -1.483 1.00 0.00 N ATOM 67 CA ILE A 8 -16.430 -1.811 -0.389 1.00 0.00 C ATOM 68 C ILE A 8 -15.884 -0.461 -0.845 1.00 0.00 C ATOM 69 O ILE A 8 -15.246 -0.360 -1.892 1.00 0.00 O ATOM 70 CB ILE A 8 -15.275 -2.651 0.186 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.815 -3.935 0.819 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.487 -1.842 1.206 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.731 -4.887 1.274 1.00 0.00 C ATOM 0 H ILE A 8 -16.481 -2.797 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.177 -1.655 0.389 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.604 -2.924 -0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.440 -3.674 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.455 -4.444 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.674 -2.450 1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.075 -0.954 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.147 -1.542 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.187 -5.775 1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.120 -5.177 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.104 -4.396 2.018 1.00 0.00 H new ATOM 85 N MET A 9 -16.139 0.573 -0.050 1.00 0.00 N ATOM 86 CA MET A 9 -15.670 1.916 -0.370 1.00 0.00 C ATOM 87 C MET A 9 -14.575 2.355 0.597 1.00 0.00 C ATOM 88 O MET A 9 -14.702 2.190 1.810 1.00 0.00 O ATOM 89 CB MET A 9 -16.833 2.909 -0.326 1.00 0.00 C ATOM 90 CG MET A 9 -18.138 2.341 -0.861 1.00 0.00 C ATOM 91 SD MET A 9 -18.071 1.992 -2.629 1.00 0.00 S ATOM 92 CE MET A 9 -18.662 0.301 -2.663 1.00 0.00 C ATOM 0 H MET A 9 -16.667 0.507 0.820 1.00 0.00 H new ATOM 0 HA MET A 9 -15.254 1.898 -1.377 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.983 3.235 0.703 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.567 3.793 -0.905 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.378 1.424 -0.323 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.945 3.047 -0.664 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.829 -0.371 -2.870 1.00 0.00 H new ATOM 0 HE2 MET A 9 -19.101 0.049 -1.697 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.416 0.195 -3.443 1.00 0.00 H new ATOM 102 N VAL A 10 -13.500 2.914 0.052 1.00 0.00 N ATOM 103 CA VAL A 10 -12.383 3.377 0.866 1.00 0.00 C ATOM 104 C VAL A 10 -12.712 4.699 1.550 1.00 0.00 C ATOM 105 O VAL A 10 -12.615 5.767 0.944 1.00 0.00 O ATOM 106 CB VAL A 10 -11.107 3.553 0.022 1.00 0.00 C ATOM 107 CG1 VAL A 10 -9.976 4.113 0.871 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.703 2.231 -0.614 1.00 0.00 C ATOM 0 H VAL A 10 -13.379 3.057 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.206 2.613 1.623 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.316 4.266 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.083 4.230 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.269 5.083 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.764 3.428 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.800 2.374 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.512 1.495 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.507 1.876 -1.258 1.00 0.00 H new ATOM 118 N THR A 11 -13.103 4.622 2.819 1.00 0.00 N ATOM 119 CA THR A 11 -13.448 5.812 3.586 1.00 0.00 C ATOM 120 C THR A 11 -12.254 6.751 3.711 1.00 0.00 C ATOM 121 O THR A 11 -12.401 7.971 3.640 1.00 0.00 O ATOM 122 CB THR A 11 -13.948 5.445 4.996 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.879 4.882 5.764 1.00 0.00 O ATOM 124 CG2 THR A 11 -15.101 4.456 4.922 1.00 0.00 C ATOM 0 H THR A 11 -13.188 3.747 3.337 1.00 0.00 H new ATOM 0 HA THR A 11 -14.248 6.317 3.044 1.00 0.00 H new ATOM 0 HB THR A 11 -14.302 6.356 5.479 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.092 4.948 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.437 4.212 5.930 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.925 4.899 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.769 3.547 4.420 1.00 0.00 H new ATOM 132 N LYS A 12 -11.071 6.175 3.896 1.00 0.00 N ATOM 133 CA LYS A 12 -9.850 6.960 4.028 1.00 0.00 C ATOM 134 C LYS A 12 -8.870 6.636 2.906 1.00 0.00 C ATOM 135 O LYS A 12 -8.309 5.541 2.857 1.00 0.00 O ATOM 136 CB LYS A 12 -9.193 6.695 5.385 1.00 0.00 C ATOM 137 CG LYS A 12 -8.141 7.724 5.763 1.00 0.00 C ATOM 138 CD LYS A 12 -7.259 7.228 6.897 1.00 0.00 C ATOM 139 CE LYS A 12 -7.885 7.511 8.254 1.00 0.00 C ATOM 140 NZ LYS A 12 -7.971 8.972 8.531 1.00 0.00 N ATOM 0 H LYS A 12 -10.932 5.166 3.958 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.117 8.014 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.964 6.676 6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.734 5.707 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.524 7.951 4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.629 8.653 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.093 6.156 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.283 7.710 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.883 7.075 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.296 7.028 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.023 9.128 9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.128 9.448 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.822 9.362 8.078 1.00 0.00 H new ATOM 154 N GLN A 13 -8.668 7.594 2.007 1.00 0.00 N ATOM 155 CA GLN A 13 -7.754 7.409 0.886 1.00 0.00 C ATOM 156 C GLN A 13 -6.306 7.582 1.329 1.00 0.00 C ATOM 157 O GLN A 13 -6.021 8.294 2.293 1.00 0.00 O ATOM 158 CB GLN A 13 -8.079 8.400 -0.233 1.00 0.00 C ATOM 159 CG GLN A 13 -9.484 8.245 -0.795 1.00 0.00 C ATOM 160 CD GLN A 13 -9.546 7.263 -1.948 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.523 6.921 -2.543 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.749 6.803 -2.271 1.00 0.00 N ATOM 0 H GLN A 13 -9.125 8.506 2.033 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.881 6.393 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.958 9.415 0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.358 8.273 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.154 7.911 -0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.846 9.217 -1.130 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.570 7.113 -1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.852 6.140 -3.039 1.00 0.00 H new ATOM 171 N LEU A 14 -5.393 6.926 0.621 1.00 0.00 N ATOM 172 CA LEU A 14 -3.972 7.007 0.942 1.00 0.00 C ATOM 173 C LEU A 14 -3.491 8.454 0.924 1.00 0.00 C ATOM 174 O LEU A 14 -4.074 9.303 0.251 1.00 0.00 O ATOM 175 CB LEU A 14 -3.157 6.175 -0.050 1.00 0.00 C ATOM 176 CG LEU A 14 -3.531 4.695 -0.151 1.00 0.00 C ATOM 177 CD1 LEU A 14 -2.954 4.085 -1.419 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.046 3.938 1.076 1.00 0.00 C ATOM 0 H LEU A 14 -5.611 6.332 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.829 6.608 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.258 6.623 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.105 6.245 0.226 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.617 4.616 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.230 3.032 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.350 4.610 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.868 4.175 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.321 2.887 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.962 4.025 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.507 4.359 1.969 1.00 0.00 H new ATOM 190 N GLU A 15 -2.424 8.727 1.668 1.00 0.00 N ATOM 191 CA GLU A 15 -1.864 10.072 1.736 1.00 0.00 C ATOM 192 C GLU A 15 -0.390 10.068 1.342 1.00 0.00 C ATOM 193 O GLU A 15 0.415 9.336 1.918 1.00 0.00 O ATOM 194 CB GLU A 15 -2.026 10.645 3.145 1.00 0.00 C ATOM 195 CG GLU A 15 -3.464 10.973 3.507 1.00 0.00 C ATOM 196 CD GLU A 15 -3.592 11.596 4.884 1.00 0.00 C ATOM 197 OE1 GLU A 15 -3.104 10.987 5.859 1.00 0.00 O ATOM 198 OE2 GLU A 15 -4.179 12.694 4.986 1.00 0.00 O ATOM 0 H GLU A 15 -1.930 8.035 2.232 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.408 10.701 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.633 9.929 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.423 11.549 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.875 11.656 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.061 10.062 3.468 1.00 0.00 H new ATOM 205 N ASP A 16 -0.045 10.891 0.358 1.00 0.00 N ATOM 206 CA ASP A 16 1.332 10.984 -0.113 1.00 0.00 C ATOM 207 C ASP A 16 2.315 10.792 1.038 1.00 0.00 C ATOM 208 O ASP A 16 2.123 11.332 2.128 1.00 0.00 O ATOM 209 CB ASP A 16 1.573 12.336 -0.786 1.00 0.00 C ATOM 210 CG ASP A 16 3.038 12.726 -0.794 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.852 11.965 -1.357 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.371 13.793 -0.235 1.00 0.00 O ATOM 0 H ASP A 16 -0.700 11.503 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 16 1.495 10.190 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.204 12.299 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.998 13.104 -0.268 1.00 0.00 H new ATOM 217 N THR A 17 3.367 10.019 0.789 1.00 0.00 N ATOM 218 CA THR A 17 4.378 9.754 1.804 1.00 0.00 C ATOM 219 C THR A 17 5.782 9.977 1.253 1.00 0.00 C ATOM 220 O THR A 17 6.038 9.757 0.069 1.00 0.00 O ATOM 221 CB THR A 17 4.272 8.315 2.341 1.00 0.00 C ATOM 222 OG1 THR A 17 3.017 8.131 3.006 1.00 0.00 O ATOM 223 CG2 THR A 17 5.411 8.010 3.302 1.00 0.00 C ATOM 0 H THR A 17 3.541 9.565 -0.108 1.00 0.00 H new ATOM 0 HA THR A 17 4.196 10.452 2.621 1.00 0.00 H new ATOM 0 HB THR A 17 4.338 7.630 1.496 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.296 8.495 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.314 6.988 3.668 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.364 8.122 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.372 8.702 4.143 1.00 0.00 H new ATOM 231 N THR A 18 6.691 10.414 2.120 1.00 0.00 N ATOM 232 CA THR A 18 8.069 10.667 1.720 1.00 0.00 C ATOM 233 C THR A 18 9.050 9.967 2.654 1.00 0.00 C ATOM 234 O THR A 18 9.269 10.407 3.782 1.00 0.00 O ATOM 235 CB THR A 18 8.382 12.175 1.702 1.00 0.00 C ATOM 236 OG1 THR A 18 7.460 12.856 0.844 1.00 0.00 O ATOM 237 CG2 THR A 18 9.805 12.427 1.229 1.00 0.00 C ATOM 0 H THR A 18 6.497 10.600 3.104 1.00 0.00 H new ATOM 0 HA THR A 18 8.183 10.268 0.712 1.00 0.00 H new ATOM 0 HB THR A 18 8.282 12.557 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.664 13.814 0.839 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.003 13.499 1.225 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.505 11.932 1.902 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.929 12.031 0.221 1.00 0.00 H new ATOM 245 N ALA A 19 9.638 8.875 2.177 1.00 0.00 N ATOM 246 CA ALA A 19 10.598 8.116 2.969 1.00 0.00 C ATOM 247 C ALA A 19 12.002 8.227 2.384 1.00 0.00 C ATOM 248 O ALA A 19 12.192 8.784 1.303 1.00 0.00 O ATOM 249 CB ALA A 19 10.174 6.658 3.057 1.00 0.00 C ATOM 0 H ALA A 19 9.466 8.496 1.246 1.00 0.00 H new ATOM 0 HA ALA A 19 10.617 8.538 3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.900 6.103 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.193 6.592 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.124 6.232 2.055 1.00 0.00 H new ATOM 255 N TYR A 20 12.982 7.693 3.105 1.00 0.00 N ATOM 256 CA TYR A 20 14.369 7.735 2.659 1.00 0.00 C ATOM 257 C TYR A 20 14.844 6.351 2.227 1.00 0.00 C ATOM 258 O TYR A 20 14.263 5.335 2.610 1.00 0.00 O ATOM 259 CB TYR A 20 15.270 8.270 3.773 1.00 0.00 C ATOM 260 CG TYR A 20 14.901 9.663 4.233 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.039 10.755 3.385 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.415 9.886 5.515 1.00 0.00 C ATOM 263 CE1 TYR A 20 14.704 12.029 3.802 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.076 11.156 5.940 1.00 0.00 C ATOM 265 CZ TYR A 20 14.223 12.224 5.079 1.00 0.00 C ATOM 266 OH TYR A 20 13.887 13.492 5.497 1.00 0.00 O ATOM 0 H TYR A 20 12.841 7.226 4.001 1.00 0.00 H new ATOM 0 HA TYR A 20 14.427 8.405 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.223 7.591 4.624 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.303 8.273 3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 20 15.414 10.606 2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.300 9.052 6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 20 14.818 12.868 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.698 11.312 6.940 1.00 0.00 H new ATOM 0 HH TYR A 20 13.564 13.457 6.421 1.00 0.00 H new ATOM 276 N CYS A 21 15.904 6.320 1.427 1.00 0.00 N ATOM 277 CA CYS A 21 16.459 5.061 0.941 1.00 0.00 C ATOM 278 C CYS A 21 16.779 4.124 2.102 1.00 0.00 C ATOM 279 O CYS A 21 17.723 4.354 2.856 1.00 0.00 O ATOM 280 CB CYS A 21 17.720 5.320 0.117 1.00 0.00 C ATOM 281 SG CYS A 21 18.610 3.821 -0.363 1.00 0.00 S ATOM 0 H CYS A 21 16.396 7.152 1.101 1.00 0.00 H new ATOM 0 HA CYS A 21 15.712 4.583 0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.446 5.871 -0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.391 5.960 0.691 1.00 0.00 H new ATOM 0 HG CYS A 21 19.660 4.144 -1.058 1.00 0.00 H new ATOM 287 N GLY A 22 15.984 3.067 2.239 1.00 0.00 N ATOM 288 CA GLY A 22 16.197 2.113 3.311 1.00 0.00 C ATOM 289 C GLY A 22 15.156 2.229 4.407 1.00 0.00 C ATOM 290 O GLY A 22 14.817 1.240 5.055 1.00 0.00 O ATOM 0 H GLY A 22 15.196 2.855 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.179 1.103 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.188 2.266 3.738 1.00 0.00 H new ATOM 294 N GLU A 23 14.650 3.440 4.614 1.00 0.00 N ATOM 295 CA GLU A 23 13.643 3.681 5.641 1.00 0.00 C ATOM 296 C GLU A 23 12.452 2.745 5.466 1.00 0.00 C ATOM 297 O GLU A 23 12.330 2.062 4.448 1.00 0.00 O ATOM 298 CB GLU A 23 13.174 5.137 5.595 1.00 0.00 C ATOM 299 CG GLU A 23 13.993 6.069 6.472 1.00 0.00 C ATOM 300 CD GLU A 23 13.507 6.096 7.908 1.00 0.00 C ATOM 301 OE1 GLU A 23 13.473 5.022 8.544 1.00 0.00 O ATOM 302 OE2 GLU A 23 13.160 7.192 8.396 1.00 0.00 O ATOM 0 H GLU A 23 14.920 4.269 4.085 1.00 0.00 H new ATOM 0 HA GLU A 23 14.097 3.484 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.216 5.491 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.130 5.184 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.037 5.757 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.954 7.077 6.060 1.00 0.00 H new ATOM 309 N ARG A 24 11.575 2.718 6.464 1.00 0.00 N ATOM 310 CA ARG A 24 10.394 1.864 6.422 1.00 0.00 C ATOM 311 C ARG A 24 9.147 2.678 6.090 1.00 0.00 C ATOM 312 O ARG A 24 8.820 3.642 6.782 1.00 0.00 O ATOM 313 CB ARG A 24 10.208 1.148 7.760 1.00 0.00 C ATOM 314 CG ARG A 24 8.912 0.358 7.853 1.00 0.00 C ATOM 315 CD ARG A 24 8.699 -0.199 9.252 1.00 0.00 C ATOM 316 NE ARG A 24 7.283 -0.398 9.552 1.00 0.00 N ATOM 317 CZ ARG A 24 6.843 -1.030 10.634 1.00 0.00 C ATOM 318 NH1 ARG A 24 7.704 -1.520 11.516 1.00 0.00 N ATOM 319 NH2 ARG A 24 5.539 -1.171 10.837 1.00 0.00 N ATOM 0 H ARG A 24 11.660 3.278 7.312 1.00 0.00 H new ATOM 0 HA ARG A 24 10.541 1.121 5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.048 0.472 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.233 1.884 8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.073 1.000 7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.931 -0.460 7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.227 -1.148 9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.132 0.483 9.984 1.00 0.00 H new ATOM 0 HE ARG A 24 6.595 -0.031 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.707 -1.412 11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.363 -2.005 12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.874 -0.794 10.162 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.202 -1.657 11.668 1.00 0.00 H new ATOM 333 N VAL A 25 8.454 2.284 5.026 1.00 0.00 N ATOM 334 CA VAL A 25 7.243 2.976 4.602 1.00 0.00 C ATOM 335 C VAL A 25 5.999 2.307 5.177 1.00 0.00 C ATOM 336 O VAL A 25 5.895 1.081 5.197 1.00 0.00 O ATOM 337 CB VAL A 25 7.128 3.017 3.067 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.900 3.809 2.645 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.390 3.606 2.454 1.00 0.00 C ATOM 0 H VAL A 25 8.711 1.488 4.442 1.00 0.00 H new ATOM 0 HA VAL A 25 7.312 3.996 4.980 1.00 0.00 H new ATOM 0 HB VAL A 25 7.016 1.997 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.835 3.827 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.006 3.339 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.978 4.829 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.292 3.627 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.536 4.620 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.248 2.993 2.728 1.00 0.00 H new ATOM 349 N GLU A 26 5.057 3.122 5.642 1.00 0.00 N ATOM 350 CA GLU A 26 3.820 2.609 6.217 1.00 0.00 C ATOM 351 C GLU A 26 2.611 3.362 5.669 1.00 0.00 C ATOM 352 O GLU A 26 2.341 4.497 6.066 1.00 0.00 O ATOM 353 CB GLU A 26 3.855 2.720 7.743 1.00 0.00 C ATOM 354 CG GLU A 26 4.723 1.666 8.410 1.00 0.00 C ATOM 355 CD GLU A 26 4.621 1.698 9.922 1.00 0.00 C ATOM 356 OE1 GLU A 26 3.546 1.349 10.452 1.00 0.00 O ATOM 357 OE2 GLU A 26 5.617 2.073 10.576 1.00 0.00 O ATOM 0 H GLU A 26 5.127 4.140 5.632 1.00 0.00 H new ATOM 0 HA GLU A 26 3.729 1.559 5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.222 3.709 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.839 2.639 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.431 0.679 8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.762 1.817 8.116 1.00 0.00 H new ATOM 364 N LEU A 27 1.889 2.725 4.755 1.00 0.00 N ATOM 365 CA LEU A 27 0.709 3.334 4.151 1.00 0.00 C ATOM 366 C LEU A 27 -0.567 2.821 4.810 1.00 0.00 C ATOM 367 O LEU A 27 -0.948 1.665 4.629 1.00 0.00 O ATOM 368 CB LEU A 27 0.673 3.044 2.649 1.00 0.00 C ATOM 369 CG LEU A 27 1.959 3.339 1.877 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.867 2.800 0.459 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.241 4.835 1.864 1.00 0.00 C ATOM 0 H LEU A 27 2.100 1.787 4.415 1.00 0.00 H new ATOM 0 HA LEU A 27 0.768 4.411 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.422 1.993 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.135 3.627 2.206 1.00 0.00 H new ATOM 0 HG LEU A 27 2.785 2.837 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.792 3.020 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.713 1.721 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.030 3.272 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.160 5.027 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.413 5.357 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.352 5.193 2.887 1.00 0.00 H new ATOM 383 N GLU A 28 -1.223 3.689 5.574 1.00 0.00 N ATOM 384 CA GLU A 28 -2.457 3.323 6.259 1.00 0.00 C ATOM 385 C GLU A 28 -3.677 3.745 5.445 1.00 0.00 C ATOM 386 O GLU A 28 -3.590 4.624 4.587 1.00 0.00 O ATOM 387 CB GLU A 28 -2.508 3.967 7.645 1.00 0.00 C ATOM 388 CG GLU A 28 -3.729 3.570 8.457 1.00 0.00 C ATOM 389 CD GLU A 28 -4.904 4.504 8.239 1.00 0.00 C ATOM 390 OE1 GLU A 28 -4.669 5.713 8.029 1.00 0.00 O ATOM 391 OE2 GLU A 28 -6.057 4.028 8.280 1.00 0.00 O ATOM 0 H GLU A 28 -0.921 4.650 5.734 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.473 2.239 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.610 3.691 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.493 5.051 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.023 2.555 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.469 3.560 9.516 1.00 0.00 H new ATOM 398 N CYS A 29 -4.812 3.112 5.720 1.00 0.00 N ATOM 399 CA CYS A 29 -6.050 3.420 5.012 1.00 0.00 C ATOM 400 C CYS A 29 -7.250 2.799 5.721 1.00 0.00 C ATOM 401 O CYS A 29 -7.093 1.971 6.617 1.00 0.00 O ATOM 402 CB CYS A 29 -5.977 2.916 3.570 1.00 0.00 C ATOM 403 SG CYS A 29 -6.310 1.148 3.388 1.00 0.00 S ATOM 0 H CYS A 29 -4.901 2.383 6.428 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.175 4.503 5.004 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.692 3.474 2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.986 3.131 3.171 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.210 0.529 3.077 1.00 0.00 H new ATOM 409 N GLU A 30 -8.448 3.207 5.313 1.00 0.00 N ATOM 410 CA GLU A 30 -9.674 2.692 5.911 1.00 0.00 C ATOM 411 C GLU A 30 -10.680 2.297 4.835 1.00 0.00 C ATOM 412 O GLU A 30 -10.651 2.819 3.720 1.00 0.00 O ATOM 413 CB GLU A 30 -10.291 3.737 6.843 1.00 0.00 C ATOM 414 CG GLU A 30 -9.802 3.637 8.279 1.00 0.00 C ATOM 415 CD GLU A 30 -10.528 4.589 9.210 1.00 0.00 C ATOM 416 OE1 GLU A 30 -11.708 4.897 8.940 1.00 0.00 O ATOM 417 OE2 GLU A 30 -9.917 5.024 10.208 1.00 0.00 O ATOM 0 H GLU A 30 -8.595 3.892 4.572 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.420 1.804 6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.065 4.732 6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.376 3.629 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.935 2.615 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.733 3.848 8.310 1.00 0.00 H new ATOM 424 N VAL A 31 -11.571 1.371 5.176 1.00 0.00 N ATOM 425 CA VAL A 31 -12.587 0.906 4.240 1.00 0.00 C ATOM 426 C VAL A 31 -13.983 1.024 4.841 1.00 0.00 C ATOM 427 O VAL A 31 -14.150 1.517 5.957 1.00 0.00 O ATOM 428 CB VAL A 31 -12.341 -0.557 3.825 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.216 -0.640 2.804 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.029 -1.411 5.045 1.00 0.00 C ATOM 0 H VAL A 31 -11.609 0.928 6.094 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.519 1.542 3.358 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.249 -0.943 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.056 -1.681 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.484 -0.062 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.301 -0.237 3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.858 -2.441 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.136 -1.028 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.870 -1.376 5.738 1.00 0.00 H new ATOM 440 N SER A 32 -14.984 0.567 4.095 1.00 0.00 N ATOM 441 CA SER A 32 -16.367 0.624 4.553 1.00 0.00 C ATOM 442 C SER A 32 -16.642 -0.464 5.586 1.00 0.00 C ATOM 443 O SER A 32 -17.398 -0.256 6.535 1.00 0.00 O ATOM 444 CB SER A 32 -17.324 0.474 3.369 1.00 0.00 C ATOM 445 OG SER A 32 -17.191 -0.801 2.764 1.00 0.00 O ATOM 0 H SER A 32 -14.863 0.153 3.171 1.00 0.00 H new ATOM 0 HA SER A 32 -16.530 1.594 5.022 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.351 0.614 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.122 1.252 2.633 1.00 0.00 H new ATOM 0 HG SER A 32 -18.050 -1.071 2.377 1.00 0.00 H new ATOM 451 N GLU A 33 -16.024 -1.625 5.393 1.00 0.00 N ATOM 452 CA GLU A 33 -16.203 -2.747 6.307 1.00 0.00 C ATOM 453 C GLU A 33 -14.888 -3.103 6.995 1.00 0.00 C ATOM 454 O GLU A 33 -13.848 -2.507 6.716 1.00 0.00 O ATOM 455 CB GLU A 33 -16.745 -3.965 5.556 1.00 0.00 C ATOM 456 CG GLU A 33 -16.312 -4.024 4.101 1.00 0.00 C ATOM 457 CD GLU A 33 -16.810 -5.270 3.394 1.00 0.00 C ATOM 458 OE1 GLU A 33 -16.170 -6.332 3.540 1.00 0.00 O ATOM 459 OE2 GLU A 33 -17.841 -5.182 2.695 1.00 0.00 O ATOM 0 H GLU A 33 -15.395 -1.813 4.612 1.00 0.00 H new ATOM 0 HA GLU A 33 -16.923 -2.450 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.413 -4.871 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -17.834 -3.955 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.683 -3.142 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.224 -3.991 4.048 1.00 0.00 H new ATOM 466 N ASP A 34 -14.944 -4.078 7.896 1.00 0.00 N ATOM 467 CA ASP A 34 -13.759 -4.515 8.624 1.00 0.00 C ATOM 468 C ASP A 34 -13.048 -5.641 7.879 1.00 0.00 C ATOM 469 O ASP A 34 -13.626 -6.278 6.999 1.00 0.00 O ATOM 470 CB ASP A 34 -14.141 -4.979 10.031 1.00 0.00 C ATOM 471 CG ASP A 34 -15.221 -4.116 10.651 1.00 0.00 C ATOM 472 OD1 ASP A 34 -16.248 -3.879 9.982 1.00 0.00 O ATOM 473 OD2 ASP A 34 -15.039 -3.676 11.806 1.00 0.00 O ATOM 0 H ASP A 34 -15.798 -4.580 8.139 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.077 -3.668 8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.485 -6.012 9.989 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.257 -4.963 10.668 1.00 0.00 H new ATOM 478 N ASP A 35 -11.791 -5.880 8.238 1.00 0.00 N ATOM 479 CA ASP A 35 -11.001 -6.928 7.604 1.00 0.00 C ATOM 480 C ASP A 35 -11.344 -7.047 6.122 1.00 0.00 C ATOM 481 O ASP A 35 -11.385 -8.146 5.570 1.00 0.00 O ATOM 482 CB ASP A 35 -11.237 -8.268 8.304 1.00 0.00 C ATOM 483 CG ASP A 35 -11.339 -8.125 9.809 1.00 0.00 C ATOM 484 OD1 ASP A 35 -10.378 -7.616 10.424 1.00 0.00 O ATOM 485 OD2 ASP A 35 -12.381 -8.520 10.373 1.00 0.00 O ATOM 0 H ASP A 35 -11.298 -5.362 8.965 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.948 -6.660 7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.153 -8.718 7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.422 -8.950 8.061 1.00 0.00 H new ATOM 490 N ALA A 36 -11.591 -5.907 5.485 1.00 0.00 N ATOM 491 CA ALA A 36 -11.930 -5.883 4.067 1.00 0.00 C ATOM 492 C ALA A 36 -10.735 -6.289 3.210 1.00 0.00 C ATOM 493 O ALA A 36 -9.795 -5.516 3.035 1.00 0.00 O ATOM 494 CB ALA A 36 -12.424 -4.501 3.666 1.00 0.00 C ATOM 0 H ALA A 36 -11.563 -4.989 5.928 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.728 -6.606 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.673 -4.497 2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.310 -4.248 4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.643 -3.766 3.857 1.00 0.00 H new ATOM 500 N ASN A 37 -10.780 -7.507 2.680 1.00 0.00 N ATOM 501 CA ASN A 37 -9.700 -8.015 1.842 1.00 0.00 C ATOM 502 C ASN A 37 -9.387 -7.044 0.708 1.00 0.00 C ATOM 503 O ASN A 37 -9.937 -7.154 -0.388 1.00 0.00 O ATOM 504 CB ASN A 37 -10.074 -9.384 1.268 1.00 0.00 C ATOM 505 CG ASN A 37 -8.916 -10.041 0.541 1.00 0.00 C ATOM 506 OD1 ASN A 37 -8.204 -10.871 1.107 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.723 -9.671 -0.720 1.00 0.00 N ATOM 0 H ASN A 37 -11.552 -8.160 2.816 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.810 -8.118 2.463 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.409 -10.035 2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.913 -9.270 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.960 -10.079 -1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.338 -8.979 -1.148 1.00 0.00 H new ATOM 514 N VAL A 38 -8.500 -6.092 0.979 1.00 0.00 N ATOM 515 CA VAL A 38 -8.112 -5.101 -0.018 1.00 0.00 C ATOM 516 C VAL A 38 -6.946 -5.601 -0.863 1.00 0.00 C ATOM 517 O VAL A 38 -6.252 -6.546 -0.488 1.00 0.00 O ATOM 518 CB VAL A 38 -7.720 -3.766 0.641 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.789 -3.323 1.628 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.367 -3.887 1.326 1.00 0.00 C ATOM 0 H VAL A 38 -8.036 -5.986 1.881 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.979 -4.939 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.641 -3.006 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.494 -2.378 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.736 -3.194 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.904 -4.080 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.106 -2.934 1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.415 -4.660 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.609 -4.154 0.590 1.00 0.00 H new ATOM 530 N LYS A 39 -6.734 -4.958 -2.007 1.00 0.00 N ATOM 531 CA LYS A 39 -5.651 -5.335 -2.907 1.00 0.00 C ATOM 532 C LYS A 39 -4.692 -4.168 -3.122 1.00 0.00 C ATOM 533 O LYS A 39 -5.067 -3.141 -3.689 1.00 0.00 O ATOM 534 CB LYS A 39 -6.215 -5.799 -4.252 1.00 0.00 C ATOM 535 CG LYS A 39 -6.565 -7.277 -4.286 1.00 0.00 C ATOM 536 CD LYS A 39 -5.391 -8.118 -4.758 1.00 0.00 C ATOM 537 CE LYS A 39 -5.859 -9.393 -5.443 1.00 0.00 C ATOM 538 NZ LYS A 39 -4.857 -10.488 -5.320 1.00 0.00 N ATOM 0 H LYS A 39 -7.298 -4.173 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.100 -6.156 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.107 -5.217 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.486 -5.588 -5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.870 -7.602 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.416 -7.435 -4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.779 -7.536 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.758 -8.372 -3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.804 -9.715 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.048 -9.191 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.754 -10.969 -6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.940 -10.089 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.176 -11.172 -4.605 1.00 0.00 H new ATOM 552 N TRP A 40 -3.455 -4.333 -2.668 1.00 0.00 N ATOM 553 CA TRP A 40 -2.443 -3.293 -2.812 1.00 0.00 C ATOM 554 C TRP A 40 -1.645 -3.484 -4.097 1.00 0.00 C ATOM 555 O TRP A 40 -1.122 -4.568 -4.359 1.00 0.00 O ATOM 556 CB TRP A 40 -1.501 -3.298 -1.607 1.00 0.00 C ATOM 557 CG TRP A 40 -2.199 -3.040 -0.306 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.941 -3.930 0.417 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.223 -1.808 0.424 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.424 -3.326 1.553 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.997 -2.024 1.581 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.664 -0.545 0.214 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.225 -1.023 2.521 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.892 0.448 1.148 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.666 0.204 2.290 1.00 0.00 C ATOM 0 H TRP A 40 -3.129 -5.177 -2.197 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.952 -2.331 -2.862 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.995 -4.262 -1.555 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.731 -2.541 -1.754 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.122 -4.957 0.137 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.006 -3.774 2.261 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.064 -0.348 -0.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.822 -1.208 3.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.466 1.429 0.995 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.824 1.000 3.002 1.00 0.00 H new ATOM 576 N PHE A 41 -1.555 -2.426 -4.896 1.00 0.00 N ATOM 577 CA PHE A 41 -0.821 -2.479 -6.155 1.00 0.00 C ATOM 578 C PHE A 41 0.300 -1.444 -6.175 1.00 0.00 C ATOM 579 O PHE A 41 0.137 -0.325 -5.688 1.00 0.00 O ATOM 580 CB PHE A 41 -1.769 -2.244 -7.333 1.00 0.00 C ATOM 581 CG PHE A 41 -2.899 -3.230 -7.399 1.00 0.00 C ATOM 582 CD1 PHE A 41 -4.040 -3.048 -6.635 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.821 -4.339 -8.227 1.00 0.00 C ATOM 584 CE1 PHE A 41 -5.082 -3.955 -6.693 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.860 -5.249 -8.290 1.00 0.00 C ATOM 586 CZ PHE A 41 -4.992 -5.056 -7.523 1.00 0.00 C ATOM 0 H PHE A 41 -1.981 -1.522 -4.694 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.378 -3.471 -6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.180 -1.237 -7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.200 -2.292 -8.262 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.117 -2.188 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.938 -4.494 -8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.965 -3.803 -6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.786 -6.110 -8.938 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.806 -5.764 -7.572 1.00 0.00 H new ATOM 596 N LYS A 42 1.440 -1.827 -6.741 1.00 0.00 N ATOM 597 CA LYS A 42 2.590 -0.934 -6.825 1.00 0.00 C ATOM 598 C LYS A 42 2.766 -0.408 -8.246 1.00 0.00 C ATOM 599 O LYS A 42 3.411 -1.045 -9.078 1.00 0.00 O ATOM 600 CB LYS A 42 3.860 -1.661 -6.378 1.00 0.00 C ATOM 601 CG LYS A 42 4.999 -0.725 -6.012 1.00 0.00 C ATOM 602 CD LYS A 42 6.352 -1.360 -6.286 1.00 0.00 C ATOM 603 CE LYS A 42 7.439 -0.309 -6.451 1.00 0.00 C ATOM 604 NZ LYS A 42 8.800 -0.913 -6.457 1.00 0.00 N ATOM 0 H LYS A 42 1.592 -2.750 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 42 2.411 -0.088 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.626 -2.289 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.189 -2.325 -7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.908 0.200 -6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.928 -0.459 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.613 -2.029 -5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.293 -1.969 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.279 0.235 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.368 0.417 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.512 -0.164 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.963 -1.411 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.877 -1.587 -7.245 1.00 0.00 H new ATOM 618 N ASN A 43 2.190 0.759 -8.516 1.00 0.00 N ATOM 619 CA ASN A 43 2.285 1.371 -9.837 1.00 0.00 C ATOM 620 C ASN A 43 1.484 0.576 -10.864 1.00 0.00 C ATOM 621 O ASN A 43 1.832 0.536 -12.043 1.00 0.00 O ATOM 622 CB ASN A 43 3.748 1.463 -10.275 1.00 0.00 C ATOM 623 CG ASN A 43 3.996 2.623 -11.220 1.00 0.00 C ATOM 624 OD1 ASN A 43 3.089 3.074 -11.919 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.230 3.112 -11.245 1.00 0.00 N ATOM 0 H ASN A 43 1.653 1.300 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 43 1.867 2.376 -9.775 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.382 1.573 -9.395 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.038 0.532 -10.763 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.457 3.893 -11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.951 2.707 -10.648 1.00 0.00 H new ATOM 632 N GLY A 44 0.407 -0.056 -10.406 1.00 0.00 N ATOM 633 CA GLY A 44 -0.427 -0.841 -11.297 1.00 0.00 C ATOM 634 C GLY A 44 -0.233 -2.333 -11.108 1.00 0.00 C ATOM 635 O GLY A 44 -1.155 -3.117 -11.332 1.00 0.00 O ATOM 0 H GLY A 44 0.098 -0.038 -9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.474 -0.589 -11.126 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.200 -0.576 -12.330 1.00 0.00 H new ATOM 639 N GLU A 45 0.968 -2.725 -10.696 1.00 0.00 N ATOM 640 CA GLU A 45 1.279 -4.133 -10.480 1.00 0.00 C ATOM 641 C GLU A 45 0.707 -4.619 -9.152 1.00 0.00 C ATOM 642 O GLU A 45 0.567 -3.845 -8.205 1.00 0.00 O ATOM 643 CB GLU A 45 2.793 -4.355 -10.508 1.00 0.00 C ATOM 644 CG GLU A 45 3.455 -4.203 -9.149 1.00 0.00 C ATOM 645 CD GLU A 45 4.962 -4.358 -9.214 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.629 -3.456 -9.764 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.475 -5.381 -8.714 1.00 0.00 O ATOM 0 H GLU A 45 1.741 -2.088 -10.505 1.00 0.00 H new ATOM 0 HA GLU A 45 0.820 -4.707 -11.285 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.998 -5.354 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.243 -3.646 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.212 -3.223 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.046 -4.946 -8.465 1.00 0.00 H new ATOM 654 N GLU A 46 0.379 -5.906 -9.090 1.00 0.00 N ATOM 655 CA GLU A 46 -0.179 -6.494 -7.878 1.00 0.00 C ATOM 656 C GLU A 46 0.931 -6.950 -6.934 1.00 0.00 C ATOM 657 O GLU A 46 1.899 -7.582 -7.357 1.00 0.00 O ATOM 658 CB GLU A 46 -1.083 -7.677 -8.228 1.00 0.00 C ATOM 659 CG GLU A 46 -1.499 -8.503 -7.023 1.00 0.00 C ATOM 660 CD GLU A 46 -2.652 -9.441 -7.328 1.00 0.00 C ATOM 661 OE1 GLU A 46 -3.762 -8.943 -7.608 1.00 0.00 O ATOM 662 OE2 GLU A 46 -2.443 -10.671 -7.286 1.00 0.00 O ATOM 0 H GLU A 46 0.490 -6.561 -9.864 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.771 -5.730 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.977 -7.305 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.565 -8.321 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.646 -9.084 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.784 -7.835 -6.210 1.00 0.00 H new ATOM 669 N ILE A 47 0.781 -6.624 -5.655 1.00 0.00 N ATOM 670 CA ILE A 47 1.769 -7.000 -4.651 1.00 0.00 C ATOM 671 C ILE A 47 1.415 -8.335 -4.004 1.00 0.00 C ATOM 672 O ILE A 47 0.244 -8.624 -3.757 1.00 0.00 O ATOM 673 CB ILE A 47 1.894 -5.927 -3.554 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.428 -4.621 -4.145 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.799 -6.417 -2.434 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.479 -3.483 -3.150 1.00 0.00 C ATOM 0 H ILE A 47 -0.015 -6.101 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 47 2.724 -7.092 -5.168 1.00 0.00 H new ATOM 0 HB ILE A 47 0.904 -5.737 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.429 -4.793 -4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.800 -4.329 -4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.877 -5.647 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.380 -7.323 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.790 -6.632 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.868 -2.590 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.476 -3.284 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.131 -3.755 -2.320 1.00 0.00 H new ATOM 688 N ILE A 48 2.434 -9.142 -3.730 1.00 0.00 N ATOM 689 CA ILE A 48 2.230 -10.445 -3.108 1.00 0.00 C ATOM 690 C ILE A 48 3.156 -10.634 -1.912 1.00 0.00 C ATOM 691 O ILE A 48 4.275 -11.132 -2.034 1.00 0.00 O ATOM 692 CB ILE A 48 2.464 -11.590 -4.110 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.626 -11.372 -5.372 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.129 -12.930 -3.472 1.00 0.00 C ATOM 695 CD1 ILE A 48 0.175 -11.767 -5.210 1.00 0.00 C ATOM 0 H ILE A 48 3.409 -8.917 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 48 1.194 -10.475 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 48 3.517 -11.596 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.678 -10.321 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.061 -11.945 -6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.300 -13.729 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.764 -13.087 -2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.083 -12.936 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.358 -11.585 -6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.112 -12.825 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.276 -11.176 -4.413 1.00 0.00 H new ATOM 707 N PRO A 49 2.681 -10.229 -0.725 1.00 0.00 N ATOM 708 CA PRO A 49 3.450 -10.346 0.518 1.00 0.00 C ATOM 709 C PRO A 49 3.610 -11.794 0.966 1.00 0.00 C ATOM 710 O PRO A 49 3.339 -12.723 0.207 1.00 0.00 O ATOM 711 CB PRO A 49 2.610 -9.562 1.530 1.00 0.00 C ATOM 712 CG PRO A 49 1.221 -9.618 0.993 1.00 0.00 C ATOM 713 CD PRO A 49 1.356 -9.626 -0.504 1.00 0.00 C ATOM 0 HA PRO A 49 4.467 -9.970 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.669 -10.007 2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.958 -8.533 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.703 -10.511 1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.638 -8.760 1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.565 -10.210 -0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.299 -8.619 -0.918 1.00 0.00 H new ATOM 721 N GLY A 50 4.052 -11.980 2.206 1.00 0.00 N ATOM 722 CA GLY A 50 4.240 -13.318 2.734 1.00 0.00 C ATOM 723 C GLY A 50 5.477 -13.430 3.603 1.00 0.00 C ATOM 724 O GLY A 50 6.086 -12.431 3.985 1.00 0.00 O ATOM 0 H GLY A 50 4.283 -11.227 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.364 -13.602 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.315 -14.024 1.907 1.00 0.00 H new ATOM 728 N PRO A 51 5.865 -14.672 3.931 1.00 0.00 N ATOM 729 CA PRO A 51 7.040 -14.940 4.765 1.00 0.00 C ATOM 730 C PRO A 51 8.346 -14.616 4.048 1.00 0.00 C ATOM 731 O PRO A 51 9.281 -14.085 4.649 1.00 0.00 O ATOM 732 CB PRO A 51 6.941 -16.442 5.044 1.00 0.00 C ATOM 733 CG PRO A 51 6.157 -16.989 3.901 1.00 0.00 C ATOM 734 CD PRO A 51 5.186 -15.910 3.511 1.00 0.00 C ATOM 0 HA PRO A 51 7.050 -14.325 5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.929 -16.900 5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.444 -16.636 5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.810 -17.246 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.633 -17.901 4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.988 -15.916 2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.226 -16.032 4.013 1.00 0.00 H new ATOM 742 N LYS A 52 8.405 -14.938 2.761 1.00 0.00 N ATOM 743 CA LYS A 52 9.596 -14.680 1.960 1.00 0.00 C ATOM 744 C LYS A 52 9.367 -13.513 1.006 1.00 0.00 C ATOM 745 O LYS A 52 9.760 -13.565 -0.160 1.00 0.00 O ATOM 746 CB LYS A 52 9.984 -15.931 1.169 1.00 0.00 C ATOM 747 CG LYS A 52 10.628 -17.013 2.019 1.00 0.00 C ATOM 748 CD LYS A 52 11.146 -18.158 1.165 1.00 0.00 C ATOM 749 CE LYS A 52 11.382 -19.410 1.996 1.00 0.00 C ATOM 750 NZ LYS A 52 10.117 -20.156 2.246 1.00 0.00 N ATOM 0 H LYS A 52 7.641 -15.379 2.249 1.00 0.00 H new ATOM 0 HA LYS A 52 10.410 -14.419 2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.094 -16.339 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.673 -15.648 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.450 -16.585 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.902 -17.393 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.430 -18.375 0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.076 -17.860 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.091 -20.059 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.835 -19.134 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.320 -21.002 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.449 -19.545 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.697 -20.442 1.338 1.00 0.00 H new ATOM 764 N SER A 53 8.731 -12.459 1.508 1.00 0.00 N ATOM 765 CA SER A 53 8.449 -11.279 0.699 1.00 0.00 C ATOM 766 C SER A 53 8.913 -10.011 1.408 1.00 0.00 C ATOM 767 O SER A 53 9.217 -10.029 2.601 1.00 0.00 O ATOM 768 CB SER A 53 6.952 -11.189 0.396 1.00 0.00 C ATOM 769 OG SER A 53 6.533 -12.263 -0.427 1.00 0.00 O ATOM 0 H SER A 53 8.401 -12.398 2.471 1.00 0.00 H new ATOM 0 HA SER A 53 8.998 -11.371 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.388 -11.200 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.734 -10.242 -0.098 1.00 0.00 H new ATOM 0 HG SER A 53 5.786 -11.971 -0.990 1.00 0.00 H new ATOM 775 N ARG A 54 8.965 -8.910 0.665 1.00 0.00 N ATOM 776 CA ARG A 54 9.393 -7.632 1.221 1.00 0.00 C ATOM 777 C ARG A 54 8.202 -6.849 1.764 1.00 0.00 C ATOM 778 O ARG A 54 8.258 -6.296 2.862 1.00 0.00 O ATOM 779 CB ARG A 54 10.118 -6.806 0.157 1.00 0.00 C ATOM 780 CG ARG A 54 11.618 -7.048 0.115 1.00 0.00 C ATOM 781 CD ARG A 54 11.952 -8.355 -0.588 1.00 0.00 C ATOM 782 NE ARG A 54 11.776 -8.259 -2.034 1.00 0.00 N ATOM 783 CZ ARG A 54 12.183 -9.192 -2.887 1.00 0.00 C ATOM 784 NH1 ARG A 54 12.787 -10.285 -2.442 1.00 0.00 N ATOM 785 NH2 ARG A 54 11.986 -9.033 -4.190 1.00 0.00 N ATOM 0 H ARG A 54 8.716 -8.878 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 54 10.079 -7.834 2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.694 -7.036 -0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.934 -5.748 0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.107 -6.221 -0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.013 -7.069 1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.982 -8.633 -0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.316 -9.149 -0.197 1.00 0.00 H new ATOM 0 HE ARG A 54 11.315 -7.430 -2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.940 -10.411 -1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.098 -10.999 -3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.522 -8.194 -4.537 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.299 -9.750 -4.844 1.00 0.00 H new ATOM 799 N TYR A 55 7.126 -6.805 0.986 1.00 0.00 N ATOM 800 CA TYR A 55 5.922 -6.087 1.387 1.00 0.00 C ATOM 801 C TYR A 55 5.095 -6.914 2.366 1.00 0.00 C ATOM 802 O TYR A 55 5.024 -8.138 2.257 1.00 0.00 O ATOM 803 CB TYR A 55 5.079 -5.737 0.159 1.00 0.00 C ATOM 804 CG TYR A 55 5.844 -4.985 -0.906 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.649 -5.658 -1.817 1.00 0.00 C ATOM 806 CD2 TYR A 55 5.761 -3.601 -1.002 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.350 -4.974 -2.791 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.458 -2.910 -1.974 1.00 0.00 C ATOM 809 CZ TYR A 55 7.251 -3.601 -2.866 1.00 0.00 C ATOM 810 OH TYR A 55 7.947 -2.917 -3.836 1.00 0.00 O ATOM 0 H TYR A 55 7.063 -7.258 0.074 1.00 0.00 H new ATOM 0 HA TYR A 55 6.227 -5.167 1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.681 -6.656 -0.272 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.225 -5.137 0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.728 -6.734 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.141 -3.057 -0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.973 -5.512 -3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.382 -1.834 -2.035 1.00 0.00 H new ATOM 0 HH TYR A 55 8.052 -3.487 -4.626 1.00 0.00 H new ATOM 820 N ARG A 56 4.470 -6.236 3.324 1.00 0.00 N ATOM 821 CA ARG A 56 3.648 -6.907 4.323 1.00 0.00 C ATOM 822 C ARG A 56 2.401 -6.086 4.641 1.00 0.00 C ATOM 823 O ARG A 56 2.492 -4.992 5.199 1.00 0.00 O ATOM 824 CB ARG A 56 4.455 -7.145 5.601 1.00 0.00 C ATOM 825 CG ARG A 56 5.813 -7.780 5.355 1.00 0.00 C ATOM 826 CD ARG A 56 6.827 -7.353 6.405 1.00 0.00 C ATOM 827 NE ARG A 56 6.565 -7.972 7.702 1.00 0.00 N ATOM 828 CZ ARG A 56 7.108 -7.553 8.839 1.00 0.00 C ATOM 829 NH1 ARG A 56 7.938 -6.519 8.840 1.00 0.00 N ATOM 830 NH2 ARG A 56 6.821 -8.168 9.979 1.00 0.00 N ATOM 0 H ARG A 56 4.518 -5.223 3.429 1.00 0.00 H new ATOM 0 HA ARG A 56 3.335 -7.868 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.596 -6.194 6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.880 -7.785 6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.715 -8.866 5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.173 -7.500 4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.829 -7.621 6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.805 -6.268 6.510 1.00 0.00 H new ATOM 0 HE ARG A 56 5.930 -8.770 7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.161 -6.043 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.354 -6.199 9.715 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.183 -8.964 9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.239 -7.845 10.852 1.00 0.00 H new ATOM 844 N ILE A 57 1.240 -6.622 4.282 1.00 0.00 N ATOM 845 CA ILE A 57 -0.025 -5.940 4.530 1.00 0.00 C ATOM 846 C ILE A 57 -0.634 -6.377 5.858 1.00 0.00 C ATOM 847 O ILE A 57 -0.722 -7.570 6.149 1.00 0.00 O ATOM 848 CB ILE A 57 -1.038 -6.205 3.401 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.519 -5.639 2.077 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.389 -5.600 3.749 1.00 0.00 C ATOM 851 CD1 ILE A 57 -1.018 -6.390 0.862 1.00 0.00 C ATOM 0 H ILE A 57 1.148 -7.526 3.819 1.00 0.00 H new ATOM 0 HA ILE A 57 0.194 -4.873 4.567 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.162 -7.282 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.818 -4.594 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.571 -5.660 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.094 -5.796 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.761 -6.046 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.282 -4.524 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.610 -5.934 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.697 -7.430 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.107 -6.348 0.830 1.00 0.00 H new ATOM 863 N ARG A 58 -1.055 -5.403 6.658 1.00 0.00 N ATOM 864 CA ARG A 58 -1.658 -5.687 7.955 1.00 0.00 C ATOM 865 C ARG A 58 -3.100 -5.192 8.004 1.00 0.00 C ATOM 866 O ARG A 58 -3.476 -4.269 7.281 1.00 0.00 O ATOM 867 CB ARG A 58 -0.844 -5.032 9.073 1.00 0.00 C ATOM 868 CG ARG A 58 -1.502 -5.127 10.440 1.00 0.00 C ATOM 869 CD ARG A 58 -0.763 -4.290 11.473 1.00 0.00 C ATOM 870 NE ARG A 58 0.595 -4.777 11.702 1.00 0.00 N ATOM 871 CZ ARG A 58 0.874 -5.877 12.392 1.00 0.00 C ATOM 872 NH1 ARG A 58 -0.105 -6.600 12.918 1.00 0.00 N ATOM 873 NH2 ARG A 58 2.135 -6.256 12.557 1.00 0.00 N ATOM 0 H ARG A 58 -0.990 -4.411 6.431 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.658 -6.767 8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.139 -5.501 9.119 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.685 -3.982 8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.537 -4.792 10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.525 -6.168 10.762 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.725 -3.253 11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.316 -4.302 12.412 1.00 0.00 H new ATOM 0 HE ARG A 58 1.371 -4.243 11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.075 -6.312 12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.112 -7.444 13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.891 -5.702 12.154 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.348 -7.101 13.087 1.00 0.00 H new ATOM 887 N VAL A 59 -3.904 -5.814 8.861 1.00 0.00 N ATOM 888 CA VAL A 59 -5.306 -5.437 9.005 1.00 0.00 C ATOM 889 C VAL A 59 -5.641 -5.114 10.457 1.00 0.00 C ATOM 890 O VAL A 59 -5.409 -5.926 11.353 1.00 0.00 O ATOM 891 CB VAL A 59 -6.241 -6.556 8.510 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.697 -6.169 8.724 1.00 0.00 C ATOM 893 CG2 VAL A 59 -5.973 -6.864 7.045 1.00 0.00 C ATOM 0 H VAL A 59 -3.609 -6.581 9.466 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.460 -4.548 8.393 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.040 -7.457 9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.343 -6.972 8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.877 -6.002 9.786 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.916 -5.255 8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.642 -7.657 6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.145 -5.969 6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.939 -7.187 6.924 1.00 0.00 H new ATOM 903 N GLU A 60 -6.189 -3.924 10.682 1.00 0.00 N ATOM 904 CA GLU A 60 -6.557 -3.494 12.026 1.00 0.00 C ATOM 905 C GLU A 60 -7.986 -2.960 12.054 1.00 0.00 C ATOM 906 O GLU A 60 -8.235 -1.805 11.713 1.00 0.00 O ATOM 907 CB GLU A 60 -5.588 -2.420 12.524 1.00 0.00 C ATOM 908 CG GLU A 60 -4.336 -2.983 13.174 1.00 0.00 C ATOM 909 CD GLU A 60 -3.771 -2.067 14.243 1.00 0.00 C ATOM 910 OE1 GLU A 60 -4.556 -1.315 14.856 1.00 0.00 O ATOM 911 OE2 GLU A 60 -2.542 -2.104 14.465 1.00 0.00 O ATOM 0 H GLU A 60 -6.388 -3.241 9.951 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.499 -4.359 12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.298 -1.787 11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.104 -1.782 13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.565 -3.953 13.616 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.579 -3.152 12.409 1.00 0.00 H new ATOM 918 N GLY A 61 -8.922 -3.811 12.465 1.00 0.00 N ATOM 919 CA GLY A 61 -10.314 -3.407 12.530 1.00 0.00 C ATOM 920 C GLY A 61 -10.867 -3.012 11.175 1.00 0.00 C ATOM 921 O GLY A 61 -11.128 -3.867 10.329 1.00 0.00 O ATOM 0 H GLY A 61 -8.741 -4.772 12.754 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.908 -4.225 12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.414 -2.568 13.218 1.00 0.00 H new ATOM 925 N LYS A 62 -11.049 -1.712 10.968 1.00 0.00 N ATOM 926 CA LYS A 62 -11.575 -1.204 9.707 1.00 0.00 C ATOM 927 C LYS A 62 -10.525 -0.377 8.973 1.00 0.00 C ATOM 928 O LYS A 62 -10.852 0.440 8.112 1.00 0.00 O ATOM 929 CB LYS A 62 -12.824 -0.355 9.957 1.00 0.00 C ATOM 930 CG LYS A 62 -13.831 -1.012 10.885 1.00 0.00 C ATOM 931 CD LYS A 62 -14.976 -0.072 11.221 1.00 0.00 C ATOM 932 CE LYS A 62 -15.996 -0.010 10.095 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.251 0.669 10.520 1.00 0.00 N ATOM 0 H LYS A 62 -10.840 -0.991 11.658 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.841 -2.057 9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.523 0.603 10.381 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.306 -0.144 9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.225 -1.914 10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.332 -1.322 11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.464 -0.404 12.137 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.584 0.927 11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.566 0.520 9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.226 -1.021 9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.920 0.691 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.675 0.149 11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.036 1.642 10.818 1.00 0.00 H new ATOM 947 N LYS A 63 -9.260 -0.596 9.316 1.00 0.00 N ATOM 948 CA LYS A 63 -8.160 0.125 8.688 1.00 0.00 C ATOM 949 C LYS A 63 -7.018 -0.822 8.336 1.00 0.00 C ATOM 950 O LYS A 63 -6.757 -1.789 9.053 1.00 0.00 O ATOM 951 CB LYS A 63 -7.652 1.231 9.616 1.00 0.00 C ATOM 952 CG LYS A 63 -6.623 0.752 10.626 1.00 0.00 C ATOM 953 CD LYS A 63 -6.681 1.563 11.909 1.00 0.00 C ATOM 954 CE LYS A 63 -7.858 1.146 12.779 1.00 0.00 C ATOM 955 NZ LYS A 63 -7.895 1.903 14.061 1.00 0.00 N ATOM 0 H LYS A 63 -8.971 -1.268 10.027 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.532 0.574 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.214 2.027 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.498 1.664 10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.796 -0.300 10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.625 0.825 10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.752 1.434 12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.763 2.623 11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.788 1.309 12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.794 0.078 12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.711 1.590 14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.019 1.728 14.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.982 2.920 13.861 1.00 0.00 H new ATOM 969 N HIS A 64 -6.339 -0.539 7.229 1.00 0.00 N ATOM 970 CA HIS A 64 -5.223 -1.365 6.783 1.00 0.00 C ATOM 971 C HIS A 64 -3.916 -0.579 6.821 1.00 0.00 C ATOM 972 O HIS A 64 -3.921 0.652 6.837 1.00 0.00 O ATOM 973 CB HIS A 64 -5.479 -1.885 5.368 1.00 0.00 C ATOM 974 CG HIS A 64 -6.627 -2.842 5.281 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.498 -4.132 4.810 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.932 -2.692 5.608 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.674 -4.733 4.850 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.561 -3.881 5.331 1.00 0.00 N ATOM 0 H HIS A 64 -6.542 0.257 6.624 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.136 -2.213 7.463 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.671 -1.039 4.708 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.578 -2.377 5.002 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.393 -1.803 6.012 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.876 -5.748 4.542 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.552 -4.075 5.474 1.00 0.00 H new ATOM 987 N ILE A 65 -2.799 -1.298 6.835 1.00 0.00 N ATOM 988 CA ILE A 65 -1.485 -0.668 6.870 1.00 0.00 C ATOM 989 C ILE A 65 -0.452 -1.507 6.126 1.00 0.00 C ATOM 990 O ILE A 65 -0.108 -2.610 6.553 1.00 0.00 O ATOM 991 CB ILE A 65 -1.005 -0.447 8.317 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.961 0.490 9.057 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.409 0.114 8.326 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.089 -0.230 9.761 1.00 0.00 C ATOM 0 H ILE A 65 -2.778 -2.318 6.823 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.586 0.299 6.377 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.997 -1.407 8.832 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.397 1.067 9.789 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.382 1.201 8.346 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.734 0.265 9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.082 -0.587 7.832 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.426 1.067 7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.727 0.497 10.264 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.678 -0.785 9.031 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.677 -0.921 10.496 1.00 0.00 H new ATOM 1006 N LEU A 66 0.041 -0.978 5.012 1.00 0.00 N ATOM 1007 CA LEU A 66 1.038 -1.677 4.208 1.00 0.00 C ATOM 1008 C LEU A 66 2.446 -1.208 4.557 1.00 0.00 C ATOM 1009 O LEU A 66 2.810 -0.060 4.299 1.00 0.00 O ATOM 1010 CB LEU A 66 0.768 -1.454 2.719 1.00 0.00 C ATOM 1011 CG LEU A 66 1.586 -2.312 1.753 1.00 0.00 C ATOM 1012 CD1 LEU A 66 0.873 -2.436 0.415 1.00 0.00 C ATOM 1013 CD2 LEU A 66 2.977 -1.725 1.566 1.00 0.00 C ATOM 0 H LEU A 66 -0.233 -0.067 4.644 1.00 0.00 H new ATOM 0 HA LEU A 66 0.965 -2.742 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.290 -1.638 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.955 -0.405 2.489 1.00 0.00 H new ATOM 0 HG LEU A 66 1.689 -3.309 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.470 -3.050 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.101 -2.902 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.739 -1.445 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.545 -2.348 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.895 -0.716 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.489 -1.689 2.528 1.00 0.00 H new ATOM 1025 N ILE A 67 3.234 -2.103 5.143 1.00 0.00 N ATOM 1026 CA ILE A 67 4.604 -1.781 5.524 1.00 0.00 C ATOM 1027 C ILE A 67 5.597 -2.276 4.478 1.00 0.00 C ATOM 1028 O ILE A 67 5.410 -3.338 3.885 1.00 0.00 O ATOM 1029 CB ILE A 67 4.967 -2.392 6.890 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.386 -1.987 7.294 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.835 -3.907 6.844 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.464 -2.778 6.587 1.00 0.00 C ATOM 0 H ILE A 67 2.948 -3.057 5.364 1.00 0.00 H new ATOM 0 HA ILE A 67 4.665 -0.695 5.593 1.00 0.00 H new ATOM 0 HB ILE A 67 4.274 -2.009 7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.527 -0.927 7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.499 -2.115 8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.095 -4.325 7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.808 -4.175 6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.508 -4.308 6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.444 -2.438 6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.349 -3.837 6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.377 -2.630 5.511 1.00 0.00 H new ATOM 1044 N ILE A 68 6.652 -1.500 4.258 1.00 0.00 N ATOM 1045 CA ILE A 68 7.676 -1.861 3.286 1.00 0.00 C ATOM 1046 C ILE A 68 9.067 -1.816 3.909 1.00 0.00 C ATOM 1047 O ILE A 68 9.628 -0.741 4.121 1.00 0.00 O ATOM 1048 CB ILE A 68 7.644 -0.928 2.061 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.229 -0.855 1.485 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.629 -1.407 1.005 1.00 0.00 C ATOM 1051 CD1 ILE A 68 5.986 0.369 0.630 1.00 0.00 C ATOM 0 H ILE A 68 6.820 -0.617 4.740 1.00 0.00 H new ATOM 0 HA ILE A 68 7.458 -2.879 2.963 1.00 0.00 H new ATOM 0 HB ILE A 68 7.939 0.073 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.042 -1.748 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.511 -0.864 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.595 -0.738 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.636 -1.411 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.363 -2.416 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.962 0.354 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.140 1.267 1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.680 0.369 -0.211 1.00 0.00 H new ATOM 1063 N GLU A 69 9.618 -2.990 4.200 1.00 0.00 N ATOM 1064 CA GLU A 69 10.945 -3.084 4.798 1.00 0.00 C ATOM 1065 C GLU A 69 12.026 -2.721 3.785 1.00 0.00 C ATOM 1066 O GLU A 69 12.298 -3.478 2.854 1.00 0.00 O ATOM 1067 CB GLU A 69 11.187 -4.496 5.336 1.00 0.00 C ATOM 1068 CG GLU A 69 10.677 -4.704 6.752 1.00 0.00 C ATOM 1069 CD GLU A 69 10.807 -6.142 7.214 1.00 0.00 C ATOM 1070 OE1 GLU A 69 10.114 -7.013 6.647 1.00 0.00 O ATOM 1071 OE2 GLU A 69 11.603 -6.397 8.142 1.00 0.00 O ATOM 0 H GLU A 69 9.166 -3.889 4.032 1.00 0.00 H new ATOM 0 HA GLU A 69 10.994 -2.375 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.703 -5.215 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.256 -4.708 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.230 -4.056 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.631 -4.402 6.805 1.00 0.00 H new ATOM 1078 N GLY A 70 12.639 -1.556 3.973 1.00 0.00 N ATOM 1079 CA GLY A 70 13.682 -1.112 3.068 1.00 0.00 C ATOM 1080 C GLY A 70 13.130 -0.379 1.861 1.00 0.00 C ATOM 1081 O GLY A 70 12.996 -0.958 0.783 1.00 0.00 O ATOM 0 H GLY A 70 12.431 -0.912 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.369 -0.457 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.259 -1.974 2.733 1.00 0.00 H new ATOM 1085 N ALA A 71 12.807 0.897 2.042 1.00 0.00 N ATOM 1086 CA ALA A 71 12.267 1.709 0.960 1.00 0.00 C ATOM 1087 C ALA A 71 13.384 2.314 0.116 1.00 0.00 C ATOM 1088 O ALA A 71 13.848 3.423 0.384 1.00 0.00 O ATOM 1089 CB ALA A 71 11.372 2.806 1.519 1.00 0.00 C ATOM 0 H ALA A 71 12.910 1.391 2.929 1.00 0.00 H new ATOM 0 HA ALA A 71 11.671 1.062 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.975 3.405 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.547 2.356 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.952 3.443 2.187 1.00 0.00 H new ATOM 1095 N THR A 72 13.813 1.578 -0.904 1.00 0.00 N ATOM 1096 CA THR A 72 14.878 2.040 -1.786 1.00 0.00 C ATOM 1097 C THR A 72 14.328 2.942 -2.886 1.00 0.00 C ATOM 1098 O THR A 72 13.129 2.937 -3.165 1.00 0.00 O ATOM 1099 CB THR A 72 15.625 0.859 -2.432 1.00 0.00 C ATOM 1100 OG1 THR A 72 15.601 -0.274 -1.557 1.00 0.00 O ATOM 1101 CG2 THR A 72 17.066 1.235 -2.744 1.00 0.00 C ATOM 0 H THR A 72 13.439 0.659 -1.140 1.00 0.00 H new ATOM 0 HA THR A 72 15.575 2.607 -1.169 1.00 0.00 H new ATOM 0 HB THR A 72 15.122 0.607 -3.366 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.077 -1.021 -1.976 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.573 0.385 -3.200 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.081 2.079 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.578 1.511 -1.822 1.00 0.00 H new ATOM 1109 N LYS A 73 15.212 3.715 -3.507 1.00 0.00 N ATOM 1110 CA LYS A 73 14.816 4.621 -4.579 1.00 0.00 C ATOM 1111 C LYS A 73 13.731 3.995 -5.448 1.00 0.00 C ATOM 1112 O LYS A 73 12.637 4.543 -5.582 1.00 0.00 O ATOM 1113 CB LYS A 73 16.028 4.985 -5.440 1.00 0.00 C ATOM 1114 CG LYS A 73 17.004 5.923 -4.752 1.00 0.00 C ATOM 1115 CD LYS A 73 16.660 7.379 -5.019 1.00 0.00 C ATOM 1116 CE LYS A 73 17.298 8.300 -3.990 1.00 0.00 C ATOM 1117 NZ LYS A 73 17.003 9.733 -4.270 1.00 0.00 N ATOM 0 H LYS A 73 16.208 3.732 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 73 14.415 5.527 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.552 4.071 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.681 5.449 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.994 5.737 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.016 5.717 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.999 7.657 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.578 7.507 -5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.933 8.042 -2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.377 8.146 -3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.646 10.334 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.137 9.923 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.019 9.943 -4.005 1.00 0.00 H new ATOM 1131 N ALA A 74 14.040 2.844 -6.035 1.00 0.00 N ATOM 1132 CA ALA A 74 13.089 2.141 -6.888 1.00 0.00 C ATOM 1133 C ALA A 74 11.698 2.125 -6.263 1.00 0.00 C ATOM 1134 O ALA A 74 10.705 2.423 -6.926 1.00 0.00 O ATOM 1135 CB ALA A 74 13.567 0.722 -7.155 1.00 0.00 C ATOM 0 H ALA A 74 14.942 2.378 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 74 13.026 2.675 -7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.847 0.210 -7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.536 0.752 -7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.661 0.186 -6.211 1.00 0.00 H new ATOM 1141 N ASP A 75 11.635 1.773 -4.983 1.00 0.00 N ATOM 1142 CA ASP A 75 10.365 1.718 -4.268 1.00 0.00 C ATOM 1143 C ASP A 75 9.483 2.908 -4.633 1.00 0.00 C ATOM 1144 O ASP A 75 8.263 2.781 -4.732 1.00 0.00 O ATOM 1145 CB ASP A 75 10.607 1.692 -2.758 1.00 0.00 C ATOM 1146 CG ASP A 75 11.511 0.550 -2.336 1.00 0.00 C ATOM 1147 OD1 ASP A 75 12.641 0.462 -2.862 1.00 0.00 O ATOM 1148 OD2 ASP A 75 11.090 -0.255 -1.480 1.00 0.00 O ATOM 0 H ASP A 75 12.448 1.522 -4.420 1.00 0.00 H new ATOM 0 HA ASP A 75 9.850 0.803 -4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.052 2.637 -2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.651 1.605 -2.241 1.00 0.00 H new ATOM 1153 N ALA A 76 10.109 4.063 -4.832 1.00 0.00 N ATOM 1154 CA ALA A 76 9.381 5.275 -5.187 1.00 0.00 C ATOM 1155 C ALA A 76 8.439 5.026 -6.360 1.00 0.00 C ATOM 1156 O ALA A 76 8.835 5.130 -7.520 1.00 0.00 O ATOM 1157 CB ALA A 76 10.354 6.397 -5.519 1.00 0.00 C ATOM 0 H ALA A 76 11.119 4.185 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 76 8.779 5.572 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.797 7.296 -5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.983 6.601 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.980 6.099 -6.360 1.00 0.00 H new ATOM 1163 N ALA A 77 7.190 4.694 -6.049 1.00 0.00 N ATOM 1164 CA ALA A 77 6.191 4.431 -7.077 1.00 0.00 C ATOM 1165 C ALA A 77 4.792 4.794 -6.589 1.00 0.00 C ATOM 1166 O ALA A 77 4.594 5.093 -5.412 1.00 0.00 O ATOM 1167 CB ALA A 77 6.241 2.971 -7.500 1.00 0.00 C ATOM 0 H ALA A 77 6.846 4.601 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 77 6.420 5.056 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.490 2.789 -8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.230 2.741 -7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.040 2.335 -6.638 1.00 0.00 H new ATOM 1173 N GLU A 78 3.827 4.767 -7.502 1.00 0.00 N ATOM 1174 CA GLU A 78 2.447 5.096 -7.164 1.00 0.00 C ATOM 1175 C GLU A 78 1.734 3.891 -6.555 1.00 0.00 C ATOM 1176 O GLU A 78 1.318 2.978 -7.268 1.00 0.00 O ATOM 1177 CB GLU A 78 1.693 5.573 -8.407 1.00 0.00 C ATOM 1178 CG GLU A 78 0.219 5.845 -8.158 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.512 6.289 -9.410 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.349 5.629 -10.458 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -1.246 7.297 -9.343 1.00 0.00 O ATOM 0 H GLU A 78 3.975 4.521 -8.481 1.00 0.00 H new ATOM 0 HA GLU A 78 2.462 5.899 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.164 6.483 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.788 4.821 -9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.252 4.943 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.120 6.614 -7.392 1.00 0.00 H new ATOM 1188 N TYR A 79 1.599 3.897 -5.234 1.00 0.00 N ATOM 1189 CA TYR A 79 0.940 2.804 -4.528 1.00 0.00 C ATOM 1190 C TYR A 79 -0.565 3.036 -4.449 1.00 0.00 C ATOM 1191 O TYR A 79 -1.027 3.975 -3.800 1.00 0.00 O ATOM 1192 CB TYR A 79 1.519 2.656 -3.120 1.00 0.00 C ATOM 1193 CG TYR A 79 2.975 2.248 -3.104 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.978 3.171 -3.376 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.348 0.941 -2.818 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.310 2.803 -3.363 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.677 0.564 -2.802 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.654 1.498 -3.075 1.00 0.00 C ATOM 1199 OH TYR A 79 6.979 1.127 -3.061 1.00 0.00 O ATOM 0 H TYR A 79 1.937 4.646 -4.630 1.00 0.00 H new ATOM 0 HA TYR A 79 1.119 1.885 -5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.410 3.602 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.937 1.915 -2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.712 4.193 -3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.586 0.206 -2.604 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.077 3.532 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.949 -0.457 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 79 7.488 1.709 -3.663 1.00 0.00 H new ATOM 1209 N SER A 80 -1.326 2.173 -5.114 1.00 0.00 N ATOM 1210 CA SER A 80 -2.780 2.284 -5.123 1.00 0.00 C ATOM 1211 C SER A 80 -3.428 0.974 -4.685 1.00 0.00 C ATOM 1212 O SER A 80 -2.945 -0.110 -5.012 1.00 0.00 O ATOM 1213 CB SER A 80 -3.275 2.670 -6.518 1.00 0.00 C ATOM 1214 OG SER A 80 -2.851 3.976 -6.867 1.00 0.00 O ATOM 0 H SER A 80 -0.960 1.389 -5.654 1.00 0.00 H new ATOM 0 HA SER A 80 -3.064 3.064 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.901 1.955 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.363 2.617 -6.548 1.00 0.00 H new ATOM 0 HG SER A 80 -3.039 4.138 -7.815 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.525 1.083 -3.943 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.241 -0.092 -3.461 1.00 0.00 C ATOM 1222 C VAL A 81 -6.529 -0.312 -4.246 1.00 0.00 C ATOM 1223 O VAL A 81 -6.979 0.568 -4.980 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.581 0.033 -1.964 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.443 0.706 -1.212 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.882 0.800 -1.775 1.00 0.00 C ATOM 0 H VAL A 81 -4.937 1.973 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.580 -0.946 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.713 -0.969 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.701 0.786 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.535 0.113 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.276 1.703 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.107 0.879 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.780 1.799 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.692 0.272 -2.279 1.00 0.00 H new ATOM 1236 N MET A 82 -7.119 -1.493 -4.087 1.00 0.00 N ATOM 1237 CA MET A 82 -8.357 -1.828 -4.781 1.00 0.00 C ATOM 1238 C MET A 82 -9.226 -2.748 -3.928 1.00 0.00 C ATOM 1239 O MET A 82 -8.734 -3.704 -3.329 1.00 0.00 O ATOM 1240 CB MET A 82 -8.050 -2.496 -6.122 1.00 0.00 C ATOM 1241 CG MET A 82 -9.103 -2.233 -7.187 1.00 0.00 C ATOM 1242 SD MET A 82 -8.968 -3.358 -8.590 1.00 0.00 S ATOM 1243 CE MET A 82 -7.888 -2.423 -9.670 1.00 0.00 C ATOM 0 H MET A 82 -6.760 -2.233 -3.484 1.00 0.00 H new ATOM 0 HA MET A 82 -8.905 -0.903 -4.961 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.084 -2.142 -6.482 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.959 -3.572 -5.970 1.00 0.00 H new ATOM 0 HG2 MET A 82 -10.094 -2.328 -6.744 1.00 0.00 H new ATOM 0 HG3 MET A 82 -9.009 -1.206 -7.540 1.00 0.00 H new ATOM 0 HE1 MET A 82 -7.709 -2.989 -10.584 1.00 0.00 H new ATOM 0 HE2 MET A 82 -8.357 -1.471 -9.918 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.939 -2.239 -9.166 1.00 0.00 H new ATOM 1253 N THR A 83 -10.521 -2.452 -3.878 1.00 0.00 N ATOM 1254 CA THR A 83 -11.458 -3.251 -3.098 1.00 0.00 C ATOM 1255 C THR A 83 -12.630 -3.716 -3.955 1.00 0.00 C ATOM 1256 O THR A 83 -12.722 -3.378 -5.136 1.00 0.00 O ATOM 1257 CB THR A 83 -11.999 -2.463 -1.891 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.584 -1.232 -2.332 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.889 -2.173 -0.892 1.00 0.00 C ATOM 0 H THR A 83 -10.945 -1.665 -4.369 1.00 0.00 H new ATOM 0 HA THR A 83 -10.908 -4.120 -2.737 1.00 0.00 H new ATOM 0 HB THR A 83 -12.759 -3.071 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.524 -1.199 -2.056 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.295 -1.615 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.465 -3.112 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.110 -1.583 -1.375 1.00 0.00 H new ATOM 1267 N THR A 84 -13.526 -4.491 -3.353 1.00 0.00 N ATOM 1268 CA THR A 84 -14.693 -5.003 -4.061 1.00 0.00 C ATOM 1269 C THR A 84 -15.476 -3.872 -4.718 1.00 0.00 C ATOM 1270 O THR A 84 -16.283 -4.104 -5.617 1.00 0.00 O ATOM 1271 CB THR A 84 -15.629 -5.778 -3.114 1.00 0.00 C ATOM 1272 OG1 THR A 84 -16.163 -4.894 -2.122 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.888 -6.921 -2.437 1.00 0.00 C ATOM 0 H THR A 84 -13.466 -4.778 -2.376 1.00 0.00 H new ATOM 0 HA THR A 84 -14.324 -5.681 -4.830 1.00 0.00 H new ATOM 0 HB THR A 84 -16.444 -6.195 -3.705 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.917 -5.327 -1.670 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.569 -7.454 -1.773 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.508 -7.607 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 84 -14.055 -6.522 -1.858 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.232 -2.647 -4.264 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.922 -1.498 -4.820 1.00 0.00 C ATOM 1283 C GLY A 85 -15.267 -0.186 -4.436 1.00 0.00 C ATOM 1284 O GLY A 85 -15.943 0.757 -4.025 1.00 0.00 O ATOM 0 H GLY A 85 -14.568 -2.430 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.947 -1.584 -5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.956 -1.498 -4.477 1.00 0.00 H new ATOM 1288 N GLY A 86 -13.946 -0.125 -4.568 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.221 1.085 -4.225 1.00 0.00 C ATOM 1290 C GLY A 86 -11.779 1.048 -4.689 1.00 0.00 C ATOM 1291 O GLY A 86 -11.237 -0.022 -4.965 1.00 0.00 O ATOM 0 H GLY A 86 -13.364 -0.892 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.721 1.944 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.248 1.227 -3.145 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.157 2.220 -4.777 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.769 2.316 -5.213 1.00 0.00 C ATOM 1297 C GLN A 87 -9.110 3.575 -4.659 1.00 0.00 C ATOM 1298 O GLN A 87 -9.733 4.634 -4.590 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.691 2.316 -6.741 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.477 3.443 -7.390 1.00 0.00 C ATOM 1301 CD GLN A 87 -10.156 3.606 -8.863 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -9.177 4.258 -9.228 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -10.979 3.012 -9.718 1.00 0.00 N ATOM 0 H GLN A 87 -11.592 3.115 -4.552 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.233 1.448 -4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.646 2.392 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.063 1.362 -7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.544 3.251 -7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.263 4.377 -6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.778 2.482 -9.372 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.812 3.086 -10.722 1.00 0.00 H new ATOM 1312 N SER A 88 -7.847 3.452 -4.265 1.00 0.00 N ATOM 1313 CA SER A 88 -7.105 4.579 -3.713 1.00 0.00 C ATOM 1314 C SER A 88 -5.706 4.657 -4.316 1.00 0.00 C ATOM 1315 O SER A 88 -5.149 3.649 -4.753 1.00 0.00 O ATOM 1316 CB SER A 88 -7.010 4.458 -2.191 1.00 0.00 C ATOM 1317 OG SER A 88 -6.410 5.610 -1.624 1.00 0.00 O ATOM 0 H SER A 88 -7.316 2.583 -4.318 1.00 0.00 H new ATOM 0 HA SER A 88 -7.642 5.493 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.006 4.319 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.428 3.575 -1.929 1.00 0.00 H new ATOM 0 HG SER A 88 -6.956 6.398 -1.829 1.00 0.00 H new ATOM 1323 N SER A 89 -5.143 5.861 -4.337 1.00 0.00 N ATOM 1324 CA SER A 89 -3.810 6.072 -4.890 1.00 0.00 C ATOM 1325 C SER A 89 -2.981 6.973 -3.980 1.00 0.00 C ATOM 1326 O SER A 89 -3.519 7.829 -3.279 1.00 0.00 O ATOM 1327 CB SER A 89 -3.906 6.689 -6.287 1.00 0.00 C ATOM 1328 OG SER A 89 -4.819 7.773 -6.303 1.00 0.00 O ATOM 0 H SER A 89 -5.589 6.705 -3.978 1.00 0.00 H new ATOM 0 HA SER A 89 -3.316 5.103 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.922 7.033 -6.605 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.224 5.930 -7.002 1.00 0.00 H new ATOM 0 HG SER A 89 -4.862 8.152 -7.206 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.667 6.772 -3.997 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.762 7.566 -3.176 1.00 0.00 C ATOM 1336 C ALA A 90 0.629 7.631 -3.797 1.00 0.00 C ATOM 1337 O ALA A 90 1.085 6.675 -4.425 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.688 6.994 -1.768 1.00 0.00 C ATOM 0 H ALA A 90 -1.206 6.066 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.155 8.581 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.008 7.597 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.680 7.007 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.322 5.968 -1.811 1.00 0.00 H new ATOM 1344 N LYS A 91 1.300 8.764 -3.618 1.00 0.00 N ATOM 1345 CA LYS A 91 2.640 8.954 -4.160 1.00 0.00 C ATOM 1346 C LYS A 91 3.698 8.728 -3.085 1.00 0.00 C ATOM 1347 O LYS A 91 3.540 9.159 -1.942 1.00 0.00 O ATOM 1348 CB LYS A 91 2.782 10.362 -4.742 1.00 0.00 C ATOM 1349 CG LYS A 91 2.106 10.534 -6.091 1.00 0.00 C ATOM 1350 CD LYS A 91 2.720 11.678 -6.881 1.00 0.00 C ATOM 1351 CE LYS A 91 4.006 11.251 -7.572 1.00 0.00 C ATOM 1352 NZ LYS A 91 3.755 10.242 -8.638 1.00 0.00 N ATOM 0 H LYS A 91 0.937 9.565 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 91 2.791 8.222 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.360 11.081 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.841 10.599 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.191 9.609 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.042 10.721 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.006 12.032 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.925 12.514 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.492 12.125 -8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.694 10.837 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.536 10.261 -9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.692 9.295 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.862 10.464 -9.123 1.00 0.00 H new ATOM 1366 N LEU A 92 4.779 8.051 -3.459 1.00 0.00 N ATOM 1367 CA LEU A 92 5.865 7.768 -2.527 1.00 0.00 C ATOM 1368 C LEU A 92 7.197 8.271 -3.075 1.00 0.00 C ATOM 1369 O LEU A 92 7.738 7.711 -4.029 1.00 0.00 O ATOM 1370 CB LEU A 92 5.949 6.266 -2.251 1.00 0.00 C ATOM 1371 CG LEU A 92 6.839 5.848 -1.080 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.313 6.426 0.224 1.00 0.00 C ATOM 1373 CD2 LEU A 92 6.931 4.331 -0.995 1.00 0.00 C ATOM 0 H LEU A 92 4.926 7.688 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 92 5.656 8.291 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.941 5.894 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.312 5.771 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 92 7.840 6.244 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.959 6.118 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.301 7.514 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.301 6.061 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.568 4.052 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.935 3.914 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.356 3.940 -1.919 1.00 0.00 H new ATOM 1385 N SER A 93 7.721 9.329 -2.465 1.00 0.00 N ATOM 1386 CA SER A 93 8.989 9.908 -2.893 1.00 0.00 C ATOM 1387 C SER A 93 10.131 9.434 -2.000 1.00 0.00 C ATOM 1388 O SER A 93 10.157 9.717 -0.802 1.00 0.00 O ATOM 1389 CB SER A 93 8.909 11.436 -2.870 1.00 0.00 C ATOM 1390 OG SER A 93 10.078 12.016 -3.423 1.00 0.00 O ATOM 0 H SER A 93 7.287 9.803 -1.673 1.00 0.00 H new ATOM 0 HA SER A 93 9.186 9.577 -3.912 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.035 11.766 -3.431 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.778 11.781 -1.844 1.00 0.00 H new ATOM 0 HG SER A 93 10.002 12.993 -3.398 1.00 0.00 H new ATOM 1396 N VAL A 94 11.076 8.711 -2.592 1.00 0.00 N ATOM 1397 CA VAL A 94 12.222 8.197 -1.852 1.00 0.00 C ATOM 1398 C VAL A 94 13.447 9.083 -2.052 1.00 0.00 C ATOM 1399 O VAL A 94 13.990 9.170 -3.154 1.00 0.00 O ATOM 1400 CB VAL A 94 12.568 6.758 -2.280 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.782 6.251 -1.517 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.374 5.839 -2.072 1.00 0.00 C ATOM 0 H VAL A 94 11.070 8.468 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 94 11.944 8.198 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 94 12.813 6.762 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.011 5.233 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.636 6.896 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.570 6.260 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.636 4.827 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.095 5.837 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.534 6.193 -2.669 1.00 0.00 H new ATOM 1412 N ASP A 95 13.877 9.738 -0.980 1.00 0.00 N ATOM 1413 CA ASP A 95 15.040 10.617 -1.036 1.00 0.00 C ATOM 1414 C ASP A 95 16.218 10.009 -0.281 1.00 0.00 C ATOM 1415 O ASP A 95 16.055 9.055 0.481 1.00 0.00 O ATOM 1416 CB ASP A 95 14.697 11.989 -0.452 1.00 0.00 C ATOM 1417 CG ASP A 95 14.171 12.949 -1.501 1.00 0.00 C ATOM 1418 OD1 ASP A 95 13.060 12.710 -2.019 1.00 0.00 O ATOM 1419 OD2 ASP A 95 14.870 13.939 -1.803 1.00 0.00 O ATOM 0 H ASP A 95 13.438 9.677 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 95 15.325 10.736 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.951 11.870 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.586 12.415 0.013 1.00 0.00 H new ATOM 1424 N LEU A 96 17.404 10.566 -0.499 1.00 0.00 N ATOM 1425 CA LEU A 96 18.611 10.078 0.160 1.00 0.00 C ATOM 1426 C LEU A 96 18.963 10.947 1.363 1.00 0.00 C ATOM 1427 O LEU A 96 19.465 12.061 1.213 1.00 0.00 O ATOM 1428 CB LEU A 96 19.779 10.054 -0.826 1.00 0.00 C ATOM 1429 CG LEU A 96 19.921 8.786 -1.668 1.00 0.00 C ATOM 1430 CD1 LEU A 96 20.899 9.010 -2.811 1.00 0.00 C ATOM 1431 CD2 LEU A 96 20.370 7.618 -0.801 1.00 0.00 C ATOM 0 H LEU A 96 17.556 11.356 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 96 18.420 9.064 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 96 19.676 10.904 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 96 20.703 10.200 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 96 18.947 8.544 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 96 20.987 8.096 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 96 20.536 9.817 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 96 21.876 9.277 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 96 20.466 6.724 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 96 21.333 7.851 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 96 19.633 7.442 -0.018 1.00 0.00 H new ATOM 1443 N LYS A 97 18.699 10.430 2.558 1.00 0.00 N ATOM 1444 CA LYS A 97 18.991 11.155 3.788 1.00 0.00 C ATOM 1445 C LYS A 97 20.374 11.795 3.727 1.00 0.00 C ATOM 1446 O LYS A 97 21.283 11.270 3.085 1.00 0.00 O ATOM 1447 CB LYS A 97 18.905 10.215 4.992 1.00 0.00 C ATOM 1448 CG LYS A 97 18.822 10.938 6.325 1.00 0.00 C ATOM 1449 CD LYS A 97 18.324 10.020 7.428 1.00 0.00 C ATOM 1450 CE LYS A 97 16.806 10.027 7.517 1.00 0.00 C ATOM 1451 NZ LYS A 97 16.330 9.747 8.900 1.00 0.00 N ATOM 0 H LYS A 97 18.283 9.510 2.701 1.00 0.00 H new ATOM 0 HA LYS A 97 18.249 11.945 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.030 9.575 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 97 19.778 9.563 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.805 11.327 6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.154 11.795 6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.674 9.004 7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.747 10.334 8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.428 10.996 7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.399 9.281 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.290 9.761 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.670 8.811 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.697 10.473 9.547 1.00 0.00 H new ATOM 1465 N SER A 98 20.526 12.931 4.401 1.00 0.00 N ATOM 1466 CA SER A 98 21.798 13.643 4.421 1.00 0.00 C ATOM 1467 C SER A 98 22.168 14.134 3.025 1.00 0.00 C ATOM 1468 O SER A 98 23.319 14.028 2.602 1.00 0.00 O ATOM 1469 CB SER A 98 22.905 12.738 4.966 1.00 0.00 C ATOM 1470 OG SER A 98 24.076 13.482 5.254 1.00 0.00 O ATOM 0 H SER A 98 19.784 13.378 4.940 1.00 0.00 H new ATOM 0 HA SER A 98 21.691 14.508 5.075 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.557 12.237 5.869 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.134 11.960 4.238 1.00 0.00 H new ATOM 0 HG SER A 98 24.409 13.899 4.432 1.00 0.00 H new ATOM 1476 N GLY A 99 21.183 14.673 2.313 1.00 0.00 N ATOM 1477 CA GLY A 99 21.423 15.173 0.972 1.00 0.00 C ATOM 1478 C GLY A 99 21.073 16.640 0.829 1.00 0.00 C ATOM 1479 O GLY A 99 21.876 17.524 1.130 1.00 0.00 O ATOM 0 H GLY A 99 20.222 14.772 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 99 22.472 15.026 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 99 20.836 14.592 0.261 1.00 0.00 H new ATOM 1483 N PRO A 100 19.849 16.917 0.357 1.00 0.00 N ATOM 1484 CA PRO A 100 19.367 18.288 0.162 1.00 0.00 C ATOM 1485 C PRO A 100 19.129 19.012 1.483 1.00 0.00 C ATOM 1486 O PRO A 100 18.173 18.717 2.200 1.00 0.00 O ATOM 1487 CB PRO A 100 18.047 18.097 -0.588 1.00 0.00 C ATOM 1488 CG PRO A 100 17.591 16.730 -0.210 1.00 0.00 C ATOM 1489 CD PRO A 100 18.840 15.914 -0.022 1.00 0.00 C ATOM 0 HA PRO A 100 20.092 18.902 -0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 100 17.315 18.852 -0.300 1.00 0.00 H new ATOM 0 HB3 PRO A 100 18.188 18.184 -1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 100 17.000 16.755 0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 100 16.958 16.301 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 100 18.713 15.158 0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 100 19.119 15.389 -0.936 1.00 0.00 H new ATOM 1497 N SER A 101 20.003 19.962 1.798 1.00 0.00 N ATOM 1498 CA SER A 101 19.890 20.726 3.035 1.00 0.00 C ATOM 1499 C SER A 101 20.510 22.111 2.877 1.00 0.00 C ATOM 1500 O SER A 101 21.550 22.268 2.237 1.00 0.00 O ATOM 1501 CB SER A 101 20.569 19.979 4.185 1.00 0.00 C ATOM 1502 OG SER A 101 21.950 19.796 3.929 1.00 0.00 O ATOM 0 H SER A 101 20.798 20.221 1.214 1.00 0.00 H new ATOM 0 HA SER A 101 18.831 20.845 3.264 1.00 0.00 H new ATOM 0 HB2 SER A 101 20.439 20.537 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 101 20.091 19.010 4.326 1.00 0.00 H new ATOM 0 HG SER A 101 22.361 19.318 4.679 1.00 0.00 H new ATOM 1508 N SER A 102 19.863 23.112 3.465 1.00 0.00 N ATOM 1509 CA SER A 102 20.347 24.486 3.386 1.00 0.00 C ATOM 1510 C SER A 102 21.100 24.869 4.657 1.00 0.00 C ATOM 1511 O SER A 102 21.162 24.097 5.613 1.00 0.00 O ATOM 1512 CB SER A 102 19.180 25.449 3.161 1.00 0.00 C ATOM 1513 OG SER A 102 18.469 25.120 1.981 1.00 0.00 O ATOM 0 H SER A 102 19.003 22.998 4.001 1.00 0.00 H new ATOM 0 HA SER A 102 21.033 24.556 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 102 18.506 25.415 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 102 19.555 26.470 3.091 1.00 0.00 H new ATOM 0 HG SER A 102 17.727 25.749 1.860 1.00 0.00 H new ATOM 1519 N GLY A 103 21.672 26.070 4.659 1.00 0.00 N ATOM 1520 CA GLY A 103 22.414 26.536 5.816 1.00 0.00 C ATOM 1521 C GLY A 103 23.336 25.474 6.381 1.00 0.00 C ATOM 1522 O GLY A 103 23.794 24.591 5.655 1.00 0.00 O ATOM 0 H GLY A 103 21.635 26.728 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 103 23.001 27.412 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 103 21.714 26.853 6.589 1.00 0.00 H new TER 1526 GLY A 103