USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 745 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 82 GLN : amide:sc= -1.13 K(o=-2.7,f=-4.3!) USER MOD Set 1.2: A 84 ASN : amide:sc= -1.55! C(o=-2.7!,f=-5.5!) USER MOD Single : A 3 GLN : amide:sc= -0.83 K(o=-0.83,f=-1.7) USER MOD Single : A 5 GLN : amide:sc= 0.056 X(o=0.056,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.099) USER MOD Single : A 17 SER OG : rot 21:sc= 0.317 USER MOD Single : A 21 SER OG : rot -49:sc=-0.00884 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -161:sc= -1.47 (180deg=-1.61) USER MOD Single : A 39 GLN : amide:sc= -2.35 K(o=-2.4,f=-8.8!) USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= -0.352 (180deg=-0.959) USER MOD Single : A 47 SER OG : rot 59:sc= 1.34 USER MOD Single : A 52 ASN : amide:sc= -0.0345 X(o=-0.034,f=-0.034) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -96:sc= 0.108 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 39:sc= 0.779 USER MOD Single : A 74 ASN : amide:sc= -0.282 K(o=-0.28,f=-2.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.502 USER MOD Single : A 80 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 83 MET CE :methyl -172:sc= -4.13! (180deg=-4.28!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= -0.0679 (180deg=-0.311) USER MOD Single : A 91 THR OG1 : rot 171:sc= 0.0255 USER MOD Single : A 94 TYR OH : rot 139:sc= 0.921 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 43:sc= -4.93! USER MOD Single : A 109 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.048) USER MOD Single : A 111 THR OG1 : rot -105:sc= -1.15 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.263 F(o=-2.3,f=-0.26) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 10.560 10.750 -0.986 1.00 0.00 N ATOM 37 CA GLN A 3 9.327 11.142 -1.659 1.00 0.00 C ATOM 38 C GLN A 3 8.447 9.927 -1.928 1.00 0.00 C ATOM 39 O GLN A 3 8.945 8.818 -2.121 1.00 0.00 O ATOM 40 CB GLN A 3 9.637 11.859 -2.973 1.00 0.00 C ATOM 41 CG GLN A 3 10.049 13.311 -2.793 1.00 0.00 C ATOM 42 CD GLN A 3 11.323 13.461 -1.985 1.00 0.00 C ATOM 43 OE1 GLN A 3 11.310 13.358 -0.759 1.00 0.00 O ATOM 44 NE2 GLN A 3 12.433 13.706 -2.671 1.00 0.00 N ATOM 0 HA GLN A 3 8.788 11.825 -1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.435 11.325 -3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.758 11.817 -3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.188 13.769 -3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.244 13.854 -2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.398 13.784 -3.687 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.321 13.817 -2.182 1.00 0.00 H new ATOM 53 N LEU A 4 7.137 10.145 -1.938 1.00 0.00 N ATOM 54 CA LEU A 4 6.183 9.069 -2.180 1.00 0.00 C ATOM 55 C LEU A 4 4.938 9.593 -2.890 1.00 0.00 C ATOM 56 O LEU A 4 4.575 10.761 -2.747 1.00 0.00 O ATOM 57 CB LEU A 4 5.790 8.404 -0.858 1.00 0.00 C ATOM 58 CG LEU A 4 6.952 7.800 -0.064 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.466 8.792 0.969 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.522 6.504 0.608 1.00 0.00 C ATOM 0 H LEU A 4 6.711 11.058 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 4 6.661 8.330 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.288 9.143 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.065 7.617 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 4 7.762 7.576 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.291 8.345 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.813 9.694 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.662 9.048 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.360 6.089 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.695 6.704 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.203 5.789 -0.151 1.00 0.00 H new ATOM 72 N GLN A 5 4.287 8.723 -3.656 1.00 0.00 N ATOM 73 CA GLN A 5 3.082 9.097 -4.389 1.00 0.00 C ATOM 74 C GLN A 5 2.328 7.857 -4.861 1.00 0.00 C ATOM 75 O GLN A 5 2.881 6.759 -4.888 1.00 0.00 O ATOM 76 CB GLN A 5 3.442 9.979 -5.587 1.00 0.00 C ATOM 77 CG GLN A 5 2.548 11.198 -5.732 1.00 0.00 C ATOM 78 CD GLN A 5 2.157 11.467 -7.172 1.00 0.00 C ATOM 79 OE1 GLN A 5 2.803 12.251 -7.867 1.00 0.00 O ATOM 80 NE2 GLN A 5 1.093 10.815 -7.628 1.00 0.00 N ATOM 0 H GLN A 5 4.574 7.753 -3.785 1.00 0.00 H new ATOM 0 HA GLN A 5 2.435 9.659 -3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.477 10.307 -5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.381 9.383 -6.498 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.647 11.056 -5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.062 12.071 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.587 10.174 -7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.782 10.955 -8.589 1.00 0.00 H new ATOM 89 N GLU A 6 1.064 8.041 -5.233 1.00 0.00 N ATOM 90 CA GLU A 6 0.233 6.935 -5.705 1.00 0.00 C ATOM 91 C GLU A 6 -0.112 7.106 -7.182 1.00 0.00 C ATOM 92 O GLU A 6 0.012 8.199 -7.735 1.00 0.00 O ATOM 93 CB GLU A 6 -1.058 6.826 -4.877 1.00 0.00 C ATOM 94 CG GLU A 6 -1.204 7.892 -3.800 1.00 0.00 C ATOM 95 CD GLU A 6 -0.208 7.719 -2.669 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.447 6.861 -1.794 1.00 0.00 O ATOM 97 OE2 GLU A 6 0.809 8.443 -2.658 1.00 0.00 O ATOM 0 H GLU A 6 0.592 8.945 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 6 0.806 6.016 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.913 6.887 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.092 5.844 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.072 8.877 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.216 7.859 -3.396 1.00 0.00 H new ATOM 104 N SER A 7 -0.545 6.020 -7.817 1.00 0.00 N ATOM 105 CA SER A 7 -0.906 6.056 -9.230 1.00 0.00 C ATOM 106 C SER A 7 -1.846 4.907 -9.584 1.00 0.00 C ATOM 107 O SER A 7 -1.520 3.738 -9.377 1.00 0.00 O ATOM 108 CB SER A 7 0.352 5.989 -10.099 1.00 0.00 C ATOM 109 OG SER A 7 0.034 5.626 -11.432 1.00 0.00 O ATOM 0 H SER A 7 -0.654 5.107 -7.376 1.00 0.00 H new ATOM 0 HA SER A 7 -1.425 6.995 -9.423 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.854 6.957 -10.092 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.050 5.265 -9.678 1.00 0.00 H new ATOM 0 HG SER A 7 0.855 5.592 -11.966 1.00 0.00 H new ATOM 115 N GLY A 8 -3.013 5.249 -10.121 1.00 0.00 N ATOM 116 CA GLY A 8 -3.982 4.236 -10.498 1.00 0.00 C ATOM 117 C GLY A 8 -5.143 4.151 -9.527 1.00 0.00 C ATOM 118 O GLY A 8 -6.259 3.801 -9.913 1.00 0.00 O ATOM 0 H GLY A 8 -3.305 6.209 -10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.363 4.456 -11.495 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.487 3.267 -10.552 1.00 0.00 H new ATOM 122 N GLY A 9 -4.880 4.466 -8.262 1.00 0.00 N ATOM 123 CA GLY A 9 -5.911 4.415 -7.250 1.00 0.00 C ATOM 124 C GLY A 9 -7.165 5.164 -7.645 1.00 0.00 C ATOM 125 O GLY A 9 -7.100 6.245 -8.230 1.00 0.00 O ATOM 0 H GLY A 9 -3.964 4.757 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.164 3.374 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.522 4.833 -6.322 1.00 0.00 H new ATOM 129 N GLY A 10 -8.307 4.580 -7.319 1.00 0.00 N ATOM 130 CA GLY A 10 -9.580 5.196 -7.640 1.00 0.00 C ATOM 131 C GLY A 10 -10.758 4.359 -7.182 1.00 0.00 C ATOM 132 O GLY A 10 -10.621 3.511 -6.300 1.00 0.00 O ATOM 0 H GLY A 10 -8.377 3.685 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.633 6.179 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.644 5.351 -8.717 1.00 0.00 H new ATOM 136 N LEU A 11 -11.919 4.606 -7.776 1.00 0.00 N ATOM 137 CA LEU A 11 -13.127 3.886 -7.426 1.00 0.00 C ATOM 138 C LEU A 11 -13.058 2.431 -7.872 1.00 0.00 C ATOM 139 O LEU A 11 -12.390 2.101 -8.852 1.00 0.00 O ATOM 140 CB LEU A 11 -14.333 4.568 -8.059 1.00 0.00 C ATOM 141 CG LEU A 11 -14.403 6.063 -7.780 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.020 6.861 -9.018 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.789 6.459 -7.292 1.00 0.00 C ATOM 0 H LEU A 11 -12.045 5.306 -8.507 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.227 3.898 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.306 4.409 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.243 4.095 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.687 6.293 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.077 7.927 -8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.003 6.606 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.706 6.623 -9.831 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.814 7.532 -7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.528 6.210 -8.054 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.019 5.920 -6.373 1.00 0.00 H new ATOM 155 N VAL A 12 -13.753 1.564 -7.144 1.00 0.00 N ATOM 156 CA VAL A 12 -13.773 0.143 -7.460 1.00 0.00 C ATOM 157 C VAL A 12 -14.991 -0.535 -6.839 1.00 0.00 C ATOM 158 O VAL A 12 -15.068 -0.703 -5.623 1.00 0.00 O ATOM 159 CB VAL A 12 -12.493 -0.558 -6.968 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.317 -0.366 -5.470 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.514 -2.037 -7.326 1.00 0.00 C ATOM 0 H VAL A 12 -14.310 1.822 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.827 0.055 -8.545 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.641 -0.102 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.407 -0.869 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.244 0.698 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.174 -0.789 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.600 -2.511 -6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.376 -2.512 -6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.581 -2.148 -8.408 1.00 0.00 H new ATOM 171 N GLN A 13 -15.941 -0.921 -7.684 1.00 0.00 N ATOM 172 CA GLN A 13 -17.155 -1.578 -7.222 1.00 0.00 C ATOM 173 C GLN A 13 -16.850 -2.961 -6.656 1.00 0.00 C ATOM 174 O GLN A 13 -15.878 -3.605 -7.052 1.00 0.00 O ATOM 175 CB GLN A 13 -18.156 -1.687 -8.364 1.00 0.00 C ATOM 176 CG GLN A 13 -19.173 -0.558 -8.395 1.00 0.00 C ATOM 177 CD GLN A 13 -19.048 0.310 -9.632 1.00 0.00 C ATOM 178 OE1 GLN A 13 -19.075 1.538 -9.549 1.00 0.00 O ATOM 179 NE2 GLN A 13 -18.909 -0.326 -10.790 1.00 0.00 N ATOM 0 H GLN A 13 -15.892 -0.789 -8.694 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.587 -0.974 -6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.614 -1.702 -9.310 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.684 -2.637 -8.283 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -20.178 -0.979 -8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.048 0.062 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.892 -1.346 -10.813 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -18.820 0.205 -11.656 1.00 0.00 H new ATOM 188 N ALA A 14 -17.687 -3.411 -5.725 1.00 0.00 N ATOM 189 CA ALA A 14 -17.513 -4.715 -5.099 1.00 0.00 C ATOM 190 C ALA A 14 -17.316 -5.811 -6.142 1.00 0.00 C ATOM 191 O ALA A 14 -18.088 -5.920 -7.095 1.00 0.00 O ATOM 192 CB ALA A 14 -18.706 -5.035 -4.212 1.00 0.00 C ATOM 0 H ALA A 14 -18.495 -2.888 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.614 -4.676 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.564 -6.012 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.796 -4.276 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.614 -5.047 -4.814 1.00 0.00 H new ATOM 198 N GLY A 15 -16.278 -6.619 -5.956 1.00 0.00 N ATOM 199 CA GLY A 15 -15.998 -7.693 -6.890 1.00 0.00 C ATOM 200 C GLY A 15 -15.172 -7.233 -8.075 1.00 0.00 C ATOM 201 O GLY A 15 -15.188 -7.862 -9.133 1.00 0.00 O ATOM 0 H GLY A 15 -15.626 -6.549 -5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.469 -8.492 -6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.938 -8.113 -7.248 1.00 0.00 H new ATOM 205 N GLY A 16 -14.446 -6.133 -7.899 1.00 0.00 N ATOM 206 CA GLY A 16 -13.620 -5.609 -8.971 1.00 0.00 C ATOM 207 C GLY A 16 -12.168 -5.458 -8.560 1.00 0.00 C ATOM 208 O GLY A 16 -11.848 -4.674 -7.667 1.00 0.00 O ATOM 0 H GLY A 16 -14.415 -5.595 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.684 -6.273 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.009 -4.640 -9.285 1.00 0.00 H new ATOM 212 N SER A 17 -11.289 -6.213 -9.210 1.00 0.00 N ATOM 213 CA SER A 17 -9.869 -6.165 -8.908 1.00 0.00 C ATOM 214 C SER A 17 -9.258 -4.843 -9.358 1.00 0.00 C ATOM 215 O SER A 17 -9.344 -4.474 -10.530 1.00 0.00 O ATOM 216 CB SER A 17 -9.154 -7.330 -9.588 1.00 0.00 C ATOM 217 OG SER A 17 -9.254 -7.239 -10.998 1.00 0.00 O ATOM 0 H SER A 17 -11.539 -6.867 -9.952 1.00 0.00 H new ATOM 0 HA SER A 17 -9.746 -6.246 -7.828 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.104 -7.337 -9.295 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.586 -8.272 -9.250 1.00 0.00 H new ATOM 0 HG SER A 17 -9.459 -6.315 -11.252 1.00 0.00 H new ATOM 223 N LEU A 18 -8.635 -4.137 -8.421 1.00 0.00 N ATOM 224 CA LEU A 18 -8.003 -2.860 -8.720 1.00 0.00 C ATOM 225 C LEU A 18 -6.553 -2.859 -8.252 1.00 0.00 C ATOM 226 O LEU A 18 -6.258 -3.229 -7.117 1.00 0.00 O ATOM 227 CB LEU A 18 -8.770 -1.716 -8.056 1.00 0.00 C ATOM 228 CG LEU A 18 -8.174 -0.329 -8.289 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.792 0.315 -9.520 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.375 0.552 -7.066 1.00 0.00 C ATOM 0 H LEU A 18 -8.555 -4.429 -7.447 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.021 -2.714 -9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.796 -1.722 -8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.815 -1.902 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.103 -0.438 -8.459 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.356 1.303 -9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.595 -0.307 -10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.868 0.411 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.944 1.536 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.441 0.655 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.885 0.097 -6.205 1.00 0.00 H new ATOM 242 N ARG A 19 -5.652 -2.447 -9.135 1.00 0.00 N ATOM 243 CA ARG A 19 -4.231 -2.407 -8.813 1.00 0.00 C ATOM 244 C ARG A 19 -3.748 -0.972 -8.634 1.00 0.00 C ATOM 245 O ARG A 19 -4.018 -0.107 -9.467 1.00 0.00 O ATOM 246 CB ARG A 19 -3.423 -3.094 -9.914 1.00 0.00 C ATOM 247 CG ARG A 19 -1.997 -3.431 -9.507 1.00 0.00 C ATOM 248 CD ARG A 19 -1.455 -4.605 -10.308 1.00 0.00 C ATOM 249 NE ARG A 19 -1.088 -4.215 -11.668 1.00 0.00 N ATOM 250 CZ ARG A 19 0.093 -3.698 -11.999 1.00 0.00 C ATOM 251 NH1 ARG A 19 1.029 -3.515 -11.077 1.00 0.00 N ATOM 252 NH2 ARG A 19 0.339 -3.362 -13.258 1.00 0.00 N ATOM 0 H ARG A 19 -5.880 -2.136 -10.079 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.083 -2.937 -7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.934 -4.011 -10.209 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.398 -2.447 -10.791 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.359 -2.560 -9.657 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.967 -3.669 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.583 -5.018 -9.801 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.205 -5.395 -10.347 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.778 -4.347 -12.407 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.846 -3.771 -10.107 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.932 -3.118 -11.338 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.377 -3.500 -13.972 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.244 -2.966 -13.513 1.00 0.00 H new ATOM 266 N LEU A 20 -3.024 -0.728 -7.546 1.00 0.00 N ATOM 267 CA LEU A 20 -2.494 0.598 -7.262 1.00 0.00 C ATOM 268 C LEU A 20 -0.972 0.563 -7.257 1.00 0.00 C ATOM 269 O LEU A 20 -0.366 -0.448 -6.904 1.00 0.00 O ATOM 270 CB LEU A 20 -3.013 1.116 -5.918 1.00 0.00 C ATOM 271 CG LEU A 20 -4.417 0.643 -5.534 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.806 1.186 -4.167 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.429 1.066 -6.590 1.00 0.00 C ATOM 0 H LEU A 20 -2.792 -1.433 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.832 1.277 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.318 0.810 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.008 2.206 -5.941 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.414 -0.446 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.807 0.840 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.096 0.832 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.794 2.276 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.422 0.721 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.433 2.153 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.158 0.627 -7.550 1.00 0.00 H new ATOM 285 N SER A 21 -0.362 1.668 -7.658 1.00 0.00 N ATOM 286 CA SER A 21 1.090 1.761 -7.710 1.00 0.00 C ATOM 287 C SER A 21 1.589 2.992 -6.963 1.00 0.00 C ATOM 288 O SER A 21 1.151 4.111 -7.226 1.00 0.00 O ATOM 289 CB SER A 21 1.561 1.810 -9.163 1.00 0.00 C ATOM 290 OG SER A 21 1.197 3.034 -9.777 1.00 0.00 O ATOM 0 H SER A 21 -0.850 2.514 -7.953 1.00 0.00 H new ATOM 0 HA SER A 21 1.502 0.876 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.643 1.688 -9.202 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.126 0.978 -9.717 1.00 0.00 H new ATOM 0 HG SER A 21 0.250 3.218 -9.603 1.00 0.00 H new ATOM 296 N CYS A 22 2.515 2.777 -6.033 1.00 0.00 N ATOM 297 CA CYS A 22 3.080 3.870 -5.254 1.00 0.00 C ATOM 298 C CYS A 22 4.593 3.934 -5.438 1.00 0.00 C ATOM 299 O CYS A 22 5.325 3.068 -4.957 1.00 0.00 O ATOM 300 CB CYS A 22 2.733 3.708 -3.772 1.00 0.00 C ATOM 301 SG CYS A 22 1.421 4.833 -3.191 1.00 0.00 S ATOM 0 H CYS A 22 2.889 1.856 -5.802 1.00 0.00 H new ATOM 0 HA CYS A 22 2.647 4.804 -5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.421 2.679 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.631 3.877 -3.178 1.00 0.00 H new ATOM 306 N ALA A 23 5.054 4.961 -6.145 1.00 0.00 N ATOM 307 CA ALA A 23 6.479 5.134 -6.402 1.00 0.00 C ATOM 308 C ALA A 23 7.187 5.762 -5.207 1.00 0.00 C ATOM 309 O ALA A 23 6.548 6.316 -4.312 1.00 0.00 O ATOM 310 CB ALA A 23 6.689 5.983 -7.646 1.00 0.00 C ATOM 0 H ALA A 23 4.461 5.686 -6.550 1.00 0.00 H new ATOM 0 HA ALA A 23 6.913 4.148 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.757 6.105 -7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.229 5.492 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.232 6.962 -7.500 1.00 0.00 H new ATOM 316 N ALA A 24 8.513 5.672 -5.201 1.00 0.00 N ATOM 317 CA ALA A 24 9.315 6.231 -4.120 1.00 0.00 C ATOM 318 C ALA A 24 10.652 6.748 -4.641 1.00 0.00 C ATOM 319 O ALA A 24 10.855 6.865 -5.849 1.00 0.00 O ATOM 320 CB ALA A 24 9.535 5.189 -3.033 1.00 0.00 C ATOM 0 H ALA A 24 9.055 5.216 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 24 8.771 7.074 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.135 5.620 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.572 4.871 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.055 4.329 -3.454 1.00 0.00 H new ATOM 414 N TYR A 32 14.488 0.616 5.449 1.00 0.00 N ATOM 415 CA TYR A 32 13.445 1.373 4.772 1.00 0.00 C ATOM 416 C TYR A 32 12.618 0.462 3.866 1.00 0.00 C ATOM 417 O TYR A 32 13.112 -0.049 2.862 1.00 0.00 O ATOM 418 CB TYR A 32 14.078 2.509 3.958 1.00 0.00 C ATOM 419 CG TYR A 32 13.143 3.167 2.966 1.00 0.00 C ATOM 420 CD1 TYR A 32 12.896 2.589 1.727 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.515 4.369 3.266 1.00 0.00 C ATOM 422 CE1 TYR A 32 12.050 3.189 0.816 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.666 4.975 2.361 1.00 0.00 C ATOM 424 CZ TYR A 32 11.437 4.381 1.137 1.00 0.00 C ATOM 425 OH TYR A 32 10.592 4.982 0.232 1.00 0.00 O ATOM 0 HA TYR A 32 12.777 1.800 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.450 3.268 4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.941 2.116 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.374 1.655 1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.694 4.837 4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.869 2.727 -0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.184 5.909 2.610 1.00 0.00 H new ATOM 0 HH TYR A 32 10.242 5.814 0.614 1.00 0.00 H new ATOM 435 N ASP A 33 11.356 0.264 4.235 1.00 0.00 N ATOM 436 CA ASP A 33 10.453 -0.584 3.463 1.00 0.00 C ATOM 437 C ASP A 33 9.356 0.251 2.811 1.00 0.00 C ATOM 438 O ASP A 33 9.348 1.475 2.925 1.00 0.00 O ATOM 439 CB ASP A 33 9.832 -1.653 4.364 1.00 0.00 C ATOM 440 CG ASP A 33 10.869 -2.379 5.198 1.00 0.00 C ATOM 441 OD1 ASP A 33 11.473 -3.344 4.686 1.00 0.00 O ATOM 442 OD2 ASP A 33 11.077 -1.982 6.364 1.00 0.00 O ATOM 0 H ASP A 33 10.935 0.680 5.065 1.00 0.00 H new ATOM 0 HA ASP A 33 11.029 -1.073 2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.100 -1.188 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.294 -2.375 3.749 1.00 0.00 H new ATOM 447 N MET A 34 8.429 -0.416 2.130 1.00 0.00 N ATOM 448 CA MET A 34 7.330 0.277 1.465 1.00 0.00 C ATOM 449 C MET A 34 6.039 -0.530 1.559 1.00 0.00 C ATOM 450 O MET A 34 5.933 -1.616 0.990 1.00 0.00 O ATOM 451 CB MET A 34 7.680 0.541 -0.001 1.00 0.00 C ATOM 452 CG MET A 34 8.051 1.987 -0.285 1.00 0.00 C ATOM 453 SD MET A 34 7.192 2.660 -1.722 1.00 0.00 S ATOM 454 CE MET A 34 5.546 2.889 -1.053 1.00 0.00 C ATOM 0 H MET A 34 8.416 -1.430 2.024 1.00 0.00 H new ATOM 0 HA MET A 34 7.175 1.230 1.970 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.511 -0.102 -0.289 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.831 0.263 -0.625 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.819 2.595 0.589 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.127 2.057 -0.445 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.829 2.971 -1.870 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.286 2.036 -0.426 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.520 3.800 -0.455 1.00 0.00 H new ATOM 464 N GLY A 35 5.059 0.006 2.281 1.00 0.00 N ATOM 465 CA GLY A 35 3.791 -0.684 2.434 1.00 0.00 C ATOM 466 C GLY A 35 2.599 0.251 2.371 1.00 0.00 C ATOM 467 O GLY A 35 2.733 1.454 2.594 1.00 0.00 O ATOM 0 H GLY A 35 5.120 0.904 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.697 -1.438 1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.783 -1.211 3.388 1.00 0.00 H new ATOM 471 N TRP A 36 1.430 -0.305 2.065 1.00 0.00 N ATOM 472 CA TRP A 36 0.212 0.479 1.971 1.00 0.00 C ATOM 473 C TRP A 36 -0.534 0.503 3.296 1.00 0.00 C ATOM 474 O TRP A 36 -0.393 -0.398 4.127 1.00 0.00 O ATOM 475 CB TRP A 36 -0.689 -0.084 0.883 1.00 0.00 C ATOM 476 CG TRP A 36 -0.159 0.121 -0.503 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.845 -0.578 -1.108 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.606 1.091 -1.459 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.050 -0.103 -2.382 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.172 0.922 -2.620 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.589 2.085 -1.445 1.00 0.00 C ATOM 482 CZ2 TRP A 36 -0.004 1.711 -3.756 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.761 2.867 -2.572 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.973 2.675 -3.714 1.00 0.00 C ATOM 0 H TRP A 36 1.305 -1.300 1.878 1.00 0.00 H new ATOM 0 HA TRP A 36 0.491 1.502 1.719 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.828 -1.151 1.055 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.671 0.382 0.960 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.398 -1.386 -0.653 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.743 -0.456 -3.042 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.203 2.239 -0.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.603 1.566 -4.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.516 3.639 -2.572 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.134 3.301 -4.579 1.00 0.00 H new ATOM 495 N PHE A 37 -1.324 1.549 3.486 1.00 0.00 N ATOM 496 CA PHE A 37 -2.092 1.721 4.699 1.00 0.00 C ATOM 497 C PHE A 37 -3.515 2.161 4.371 1.00 0.00 C ATOM 498 O PHE A 37 -3.876 2.304 3.203 1.00 0.00 O ATOM 499 CB PHE A 37 -1.421 2.775 5.574 1.00 0.00 C ATOM 500 CG PHE A 37 -0.399 2.223 6.523 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.757 1.626 6.049 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.593 2.307 7.892 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.700 1.119 6.923 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.347 1.803 8.771 1.00 0.00 C ATOM 505 CZ PHE A 37 1.495 1.207 8.286 1.00 0.00 C ATOM 0 H PHE A 37 -1.447 2.297 2.804 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.134 0.770 5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.943 3.514 4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.187 3.298 6.146 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.924 1.556 4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.489 2.772 8.277 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.597 0.654 6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.184 1.875 9.836 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.230 0.811 8.971 1.00 0.00 H new ATOM 515 N ARG A 38 -4.314 2.387 5.406 1.00 0.00 N ATOM 516 CA ARG A 38 -5.692 2.826 5.222 1.00 0.00 C ATOM 517 C ARG A 38 -6.137 3.720 6.376 1.00 0.00 C ATOM 518 O ARG A 38 -5.589 3.651 7.479 1.00 0.00 O ATOM 519 CB ARG A 38 -6.645 1.634 5.090 1.00 0.00 C ATOM 520 CG ARG A 38 -5.961 0.274 5.056 1.00 0.00 C ATOM 521 CD ARG A 38 -6.903 -0.834 5.500 1.00 0.00 C ATOM 522 NE ARG A 38 -8.232 -0.698 4.907 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.569 -1.188 3.716 1.00 0.00 C ATOM 524 NH1 ARG A 38 -7.678 -1.840 2.980 1.00 0.00 N ATOM 525 NH2 ARG A 38 -9.802 -1.023 3.259 1.00 0.00 N ATOM 0 H ARG A 38 -4.033 2.274 6.380 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.729 3.400 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.346 1.652 5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.231 1.754 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.607 0.069 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.085 0.290 5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.481 -1.800 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.989 -0.822 6.587 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.945 -0.197 5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.727 -1.969 3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.944 -2.212 2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.491 -0.521 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.062 -1.398 2.347 1.00 0.00 H new ATOM 539 N GLN A 39 -7.136 4.560 6.114 1.00 0.00 N ATOM 540 CA GLN A 39 -7.658 5.471 7.127 1.00 0.00 C ATOM 541 C GLN A 39 -9.117 5.821 6.845 1.00 0.00 C ATOM 542 O GLN A 39 -9.654 5.492 5.788 1.00 0.00 O ATOM 543 CB GLN A 39 -6.813 6.748 7.176 1.00 0.00 C ATOM 544 CG GLN A 39 -6.113 6.969 8.507 1.00 0.00 C ATOM 545 CD GLN A 39 -7.048 7.491 9.580 1.00 0.00 C ATOM 546 OE1 GLN A 39 -8.184 7.874 9.299 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.574 7.512 10.820 1.00 0.00 N ATOM 0 H GLN A 39 -7.600 4.628 5.208 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.605 4.971 8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.065 6.708 6.385 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.453 7.605 6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.671 6.030 8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.294 7.675 8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.626 7.185 11.009 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.157 7.855 11.583 1.00 0.00 H new ATOM 556 N ALA A 40 -9.749 6.495 7.800 1.00 0.00 N ATOM 557 CA ALA A 40 -11.143 6.899 7.663 1.00 0.00 C ATOM 558 C ALA A 40 -11.468 8.040 8.621 1.00 0.00 C ATOM 559 O ALA A 40 -10.883 8.137 9.700 1.00 0.00 O ATOM 560 CB ALA A 40 -12.064 5.714 7.914 1.00 0.00 C ATOM 0 H ALA A 40 -9.316 6.774 8.680 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.301 7.252 6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.102 6.031 7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.849 4.927 7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.902 5.334 8.923 1.00 0.00 H new ATOM 566 N PRO A 41 -12.405 8.927 8.243 1.00 0.00 N ATOM 567 CA PRO A 41 -12.792 10.062 9.084 1.00 0.00 C ATOM 568 C PRO A 41 -13.385 9.618 10.408 1.00 0.00 C ATOM 569 O PRO A 41 -14.203 8.699 10.461 1.00 0.00 O ATOM 570 CB PRO A 41 -13.829 10.813 8.241 1.00 0.00 C ATOM 571 CG PRO A 41 -14.315 9.814 7.247 1.00 0.00 C ATOM 572 CD PRO A 41 -13.155 8.897 6.977 1.00 0.00 C ATOM 0 HA PRO A 41 -11.934 10.679 9.352 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.646 11.184 8.859 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.385 11.677 7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.168 9.259 7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.646 10.304 6.331 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.487 7.889 6.729 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.550 9.248 6.141 1.00 0.00 H new ATOM 580 N GLY A 42 -12.941 10.260 11.482 1.00 0.00 N ATOM 581 CA GLY A 42 -13.411 9.898 12.800 1.00 0.00 C ATOM 582 C GLY A 42 -12.910 8.527 13.211 1.00 0.00 C ATOM 583 O GLY A 42 -13.274 8.015 14.269 1.00 0.00 O ATOM 0 H GLY A 42 -12.265 11.023 11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.076 10.641 13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.501 9.908 12.814 1.00 0.00 H new ATOM 587 N LYS A 43 -12.076 7.925 12.360 1.00 0.00 N ATOM 588 CA LYS A 43 -11.531 6.607 12.621 1.00 0.00 C ATOM 589 C LYS A 43 -10.025 6.677 12.852 1.00 0.00 C ATOM 590 O LYS A 43 -9.424 7.749 12.780 1.00 0.00 O ATOM 591 CB LYS A 43 -11.838 5.705 11.432 1.00 0.00 C ATOM 592 CG LYS A 43 -11.939 4.231 11.784 1.00 0.00 C ATOM 593 CD LYS A 43 -10.873 3.421 11.069 1.00 0.00 C ATOM 594 CE LYS A 43 -11.146 1.929 11.162 1.00 0.00 C ATOM 595 NZ LYS A 43 -12.574 1.606 10.888 1.00 0.00 N ATOM 0 H LYS A 43 -11.767 8.339 11.481 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.989 6.202 13.524 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.777 6.025 10.979 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.060 5.836 10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.834 4.104 12.861 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.926 3.857 11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.831 3.719 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.897 3.640 11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.511 1.399 10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.878 1.572 12.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.671 0.586 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.154 1.871 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.896 2.135 10.053 1.00 0.00 H new ATOM 609 N GLU A 44 -9.422 5.527 13.126 1.00 0.00 N ATOM 610 CA GLU A 44 -7.986 5.451 13.363 1.00 0.00 C ATOM 611 C GLU A 44 -7.247 5.054 12.088 1.00 0.00 C ATOM 612 O GLU A 44 -7.856 4.903 11.028 1.00 0.00 O ATOM 613 CB GLU A 44 -7.683 4.445 14.475 1.00 0.00 C ATOM 614 CG GLU A 44 -8.261 3.063 14.218 1.00 0.00 C ATOM 615 CD GLU A 44 -9.635 2.883 14.832 1.00 0.00 C ATOM 616 OE1 GLU A 44 -10.305 3.903 15.097 1.00 0.00 O ATOM 617 OE2 GLU A 44 -10.042 1.722 15.047 1.00 0.00 O ATOM 0 H GLU A 44 -9.907 4.632 13.190 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.641 6.438 13.672 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.603 4.362 14.594 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.079 4.826 15.416 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.322 2.893 13.143 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.585 2.309 14.622 1.00 0.00 H new ATOM 624 N ARG A 45 -5.933 4.888 12.196 1.00 0.00 N ATOM 625 CA ARG A 45 -5.113 4.511 11.050 1.00 0.00 C ATOM 626 C ARG A 45 -4.662 3.055 11.160 1.00 0.00 C ATOM 627 O ARG A 45 -4.324 2.580 12.244 1.00 0.00 O ATOM 628 CB ARG A 45 -3.908 5.468 10.928 1.00 0.00 C ATOM 629 CG ARG A 45 -2.532 4.817 11.062 1.00 0.00 C ATOM 630 CD ARG A 45 -1.650 5.571 12.044 1.00 0.00 C ATOM 631 NE ARG A 45 -0.561 4.737 12.550 1.00 0.00 N ATOM 632 CZ ARG A 45 -0.744 3.661 13.313 1.00 0.00 C ATOM 633 NH1 ARG A 45 -1.967 3.294 13.674 1.00 0.00 N ATOM 634 NH2 ARG A 45 0.301 2.952 13.718 1.00 0.00 N ATOM 0 H ARG A 45 -5.413 5.009 13.065 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.711 4.598 10.143 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.961 5.969 9.961 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.001 6.240 11.692 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.648 3.785 11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.047 4.786 10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.235 6.453 11.556 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.255 5.924 12.879 1.00 0.00 H new ATOM 0 HE ARG A 45 0.395 4.994 12.304 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.774 3.837 13.367 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.100 2.469 14.259 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.243 3.231 13.445 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.162 2.128 14.302 1.00 0.00 H new ATOM 648 N GLU A 46 -4.656 2.356 10.030 1.00 0.00 N ATOM 649 CA GLU A 46 -4.241 0.960 10.000 1.00 0.00 C ATOM 650 C GLU A 46 -3.417 0.671 8.749 1.00 0.00 C ATOM 651 O GLU A 46 -3.415 1.456 7.803 1.00 0.00 O ATOM 652 CB GLU A 46 -5.464 0.043 10.057 1.00 0.00 C ATOM 653 CG GLU A 46 -6.304 0.061 8.791 1.00 0.00 C ATOM 654 CD GLU A 46 -7.640 -0.632 8.970 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.660 -1.880 9.024 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.668 0.073 9.056 1.00 0.00 O ATOM 0 H GLU A 46 -4.934 2.734 9.124 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.618 0.766 10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.132 -0.978 10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.088 0.338 10.900 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.472 1.094 8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.752 -0.424 7.986 1.00 0.00 H new ATOM 663 N SER A 47 -2.712 -0.456 8.752 1.00 0.00 N ATOM 664 CA SER A 47 -1.884 -0.838 7.621 1.00 0.00 C ATOM 665 C SER A 47 -2.508 -1.991 6.851 1.00 0.00 C ATOM 666 O SER A 47 -3.496 -2.584 7.283 1.00 0.00 O ATOM 667 CB SER A 47 -0.487 -1.233 8.095 1.00 0.00 C ATOM 668 OG SER A 47 0.426 -1.317 7.012 1.00 0.00 O ATOM 0 H SER A 47 -2.700 -1.119 9.527 1.00 0.00 H new ATOM 0 HA SER A 47 -1.809 0.023 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.127 -0.502 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.534 -2.194 8.608 1.00 0.00 H new ATOM 0 HG SER A 47 0.474 -0.450 6.557 1.00 0.00 H new ATOM 674 N VAL A 48 -1.918 -2.297 5.708 1.00 0.00 N ATOM 675 CA VAL A 48 -2.406 -3.381 4.860 1.00 0.00 C ATOM 676 C VAL A 48 -1.285 -4.335 4.465 1.00 0.00 C ATOM 677 O VAL A 48 -1.255 -5.483 4.907 1.00 0.00 O ATOM 678 CB VAL A 48 -3.079 -2.846 3.585 1.00 0.00 C ATOM 679 CG1 VAL A 48 -3.968 -3.911 2.962 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.873 -1.583 3.883 1.00 0.00 C ATOM 0 H VAL A 48 -1.099 -1.812 5.342 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.144 -3.923 5.452 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.299 -2.592 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.435 -3.513 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.366 -4.782 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.741 -4.202 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.340 -1.222 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.644 -1.804 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.204 -0.817 4.275 1.00 0.00 H new ATOM 690 N ALA A 49 -0.369 -3.864 3.626 1.00 0.00 N ATOM 691 CA ALA A 49 0.742 -4.693 3.175 1.00 0.00 C ATOM 692 C ALA A 49 2.034 -3.896 3.085 1.00 0.00 C ATOM 693 O ALA A 49 2.020 -2.704 2.785 1.00 0.00 O ATOM 694 CB ALA A 49 0.416 -5.323 1.829 1.00 0.00 C ATOM 0 H ALA A 49 -0.374 -2.917 3.246 1.00 0.00 H new ATOM 0 HA ALA A 49 0.889 -5.482 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.254 -5.940 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.475 -5.943 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.236 -4.538 1.094 1.00 0.00 H new ATOM 700 N ALA A 50 3.152 -4.566 3.346 1.00 0.00 N ATOM 701 CA ALA A 50 4.457 -3.921 3.293 1.00 0.00 C ATOM 702 C ALA A 50 5.481 -4.807 2.597 1.00 0.00 C ATOM 703 O ALA A 50 5.487 -6.022 2.775 1.00 0.00 O ATOM 704 CB ALA A 50 4.925 -3.569 4.693 1.00 0.00 C ATOM 0 H ALA A 50 3.179 -5.555 3.596 1.00 0.00 H new ATOM 0 HA ALA A 50 4.359 -3.004 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.901 -3.088 4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.210 -2.889 5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.000 -4.477 5.291 1.00 0.00 H new ATOM 710 N ILE A 51 6.348 -4.191 1.804 1.00 0.00 N ATOM 711 CA ILE A 51 7.376 -4.928 1.082 1.00 0.00 C ATOM 712 C ILE A 51 8.769 -4.496 1.521 1.00 0.00 C ATOM 713 O ILE A 51 9.016 -3.316 1.771 1.00 0.00 O ATOM 714 CB ILE A 51 7.241 -4.737 -0.442 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.301 -5.557 -1.183 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.348 -3.263 -0.806 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.765 -6.272 -2.404 1.00 0.00 C ATOM 0 H ILE A 51 6.360 -3.184 1.645 1.00 0.00 H new ATOM 0 HA ILE A 51 7.236 -5.983 1.318 1.00 0.00 H new ATOM 0 HB ILE A 51 6.258 -5.094 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.114 -4.897 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.725 -6.292 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.251 -3.147 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.554 -2.707 -0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.316 -2.878 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.570 -6.833 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.972 -6.958 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.367 -5.541 -3.108 1.00 0.00 H new ATOM 729 N ASN A 52 9.675 -5.462 1.615 1.00 0.00 N ATOM 730 CA ASN A 52 11.042 -5.188 2.026 1.00 0.00 C ATOM 731 C ASN A 52 11.913 -4.823 0.829 1.00 0.00 C ATOM 732 O ASN A 52 11.428 -4.724 -0.298 1.00 0.00 O ATOM 733 CB ASN A 52 11.623 -6.399 2.742 1.00 0.00 C ATOM 734 CG ASN A 52 11.396 -6.352 4.240 1.00 0.00 C ATOM 735 OD1 ASN A 52 12.335 -6.175 5.017 1.00 0.00 O ATOM 736 ND2 ASN A 52 10.145 -6.511 4.655 1.00 0.00 N ATOM 0 H ASN A 52 9.485 -6.443 1.411 1.00 0.00 H new ATOM 0 HA ASN A 52 11.028 -4.338 2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.173 -7.306 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.693 -6.457 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.932 -6.489 5.652 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.397 -6.655 3.977 1.00 0.00 H new ATOM 800 N ARG A 57 10.231 -11.413 1.479 1.00 0.00 N ATOM 801 CA ARG A 57 9.101 -11.174 0.588 1.00 0.00 C ATOM 802 C ARG A 57 8.308 -9.937 1.032 1.00 0.00 C ATOM 803 O ARG A 57 8.880 -8.858 1.206 1.00 0.00 O ATOM 804 CB ARG A 57 8.202 -12.415 0.538 1.00 0.00 C ATOM 805 CG ARG A 57 8.942 -13.697 0.188 1.00 0.00 C ATOM 806 CD ARG A 57 9.066 -14.618 1.391 1.00 0.00 C ATOM 807 NE ARG A 57 7.954 -15.564 1.471 1.00 0.00 N ATOM 808 CZ ARG A 57 7.598 -16.199 2.585 1.00 0.00 C ATOM 809 NH1 ARG A 57 8.265 -15.999 3.715 1.00 0.00 N ATOM 810 NH2 ARG A 57 6.570 -17.038 2.568 1.00 0.00 N ATOM 0 HA ARG A 57 9.481 -10.980 -0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.717 -12.540 1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.413 -12.251 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.416 -14.214 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.936 -13.453 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.006 -15.167 1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.101 -14.022 2.303 1.00 0.00 H new ATOM 0 HE ARG A 57 7.419 -15.748 0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.056 -15.355 3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.987 -16.489 4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.054 -17.195 1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.296 -17.526 3.421 1.00 0.00 H new ATOM 824 N THR A 58 6.994 -10.088 1.212 1.00 0.00 N ATOM 825 CA THR A 58 6.149 -8.978 1.628 1.00 0.00 C ATOM 826 C THR A 58 5.532 -9.241 3.000 1.00 0.00 C ATOM 827 O THR A 58 5.809 -10.259 3.634 1.00 0.00 O ATOM 828 CB THR A 58 5.046 -8.735 0.596 1.00 0.00 C ATOM 829 OG1 THR A 58 5.298 -9.465 -0.592 1.00 0.00 O ATOM 830 CG2 THR A 58 4.895 -7.280 0.215 1.00 0.00 C ATOM 0 H THR A 58 6.497 -10.968 1.075 1.00 0.00 H new ATOM 0 HA THR A 58 6.774 -8.088 1.699 1.00 0.00 H new ATOM 0 HB THR A 58 4.125 -9.068 1.075 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.580 -9.297 -1.238 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.096 -7.177 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.650 -6.695 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.830 -6.917 -0.212 1.00 0.00 H new ATOM 838 N TYR A 59 4.702 -8.309 3.451 1.00 0.00 N ATOM 839 CA TYR A 59 4.045 -8.418 4.745 1.00 0.00 C ATOM 840 C TYR A 59 2.573 -8.031 4.641 1.00 0.00 C ATOM 841 O TYR A 59 2.222 -6.862 4.790 1.00 0.00 O ATOM 842 CB TYR A 59 4.750 -7.514 5.757 1.00 0.00 C ATOM 843 CG TYR A 59 3.970 -7.293 7.036 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.922 -8.268 8.025 1.00 0.00 C ATOM 845 CD2 TYR A 59 3.278 -6.108 7.249 1.00 0.00 C ATOM 846 CE1 TYR A 59 3.206 -8.066 9.190 1.00 0.00 C ATOM 847 CE2 TYR A 59 2.560 -5.899 8.411 1.00 0.00 C ATOM 848 CZ TYR A 59 2.527 -6.880 9.378 1.00 0.00 C ATOM 849 OH TYR A 59 1.813 -6.677 10.537 1.00 0.00 O ATOM 0 H TYR A 59 4.467 -7.462 2.933 1.00 0.00 H new ATOM 0 HA TYR A 59 4.104 -9.454 5.078 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.718 -7.950 6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.945 -6.548 5.291 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.452 -9.198 7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.301 -5.337 6.494 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.178 -8.833 9.950 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.027 -4.971 8.560 1.00 0.00 H new ATOM 0 HH TYR A 59 1.395 -5.791 10.513 1.00 0.00 H new ATOM 859 N TYR A 60 1.718 -9.016 4.390 1.00 0.00 N ATOM 860 CA TYR A 60 0.291 -8.773 4.273 1.00 0.00 C ATOM 861 C TYR A 60 -0.359 -8.671 5.648 1.00 0.00 C ATOM 862 O TYR A 60 0.114 -9.268 6.615 1.00 0.00 O ATOM 863 CB TYR A 60 -0.366 -9.900 3.482 1.00 0.00 C ATOM 864 CG TYR A 60 0.157 -10.049 2.071 1.00 0.00 C ATOM 865 CD1 TYR A 60 1.375 -10.668 1.822 1.00 0.00 C ATOM 866 CD2 TYR A 60 -0.572 -9.574 0.988 1.00 0.00 C ATOM 867 CE1 TYR A 60 1.853 -10.809 0.533 1.00 0.00 C ATOM 868 CE2 TYR A 60 -0.101 -9.711 -0.303 1.00 0.00 C ATOM 869 CZ TYR A 60 1.111 -10.329 -0.526 1.00 0.00 C ATOM 870 OH TYR A 60 1.583 -10.468 -1.811 1.00 0.00 O ATOM 0 H TYR A 60 1.992 -9.990 4.264 1.00 0.00 H new ATOM 0 HA TYR A 60 0.150 -7.827 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.216 -10.839 4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.441 -9.724 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.958 -11.045 2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.522 -9.090 1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.802 -11.292 0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.680 -9.336 -1.134 1.00 0.00 H new ATOM 0 HH TYR A 60 2.041 -9.645 -2.082 1.00 0.00 H new ATOM 880 N ALA A 61 -1.453 -7.922 5.726 1.00 0.00 N ATOM 881 CA ALA A 61 -2.175 -7.755 6.980 1.00 0.00 C ATOM 882 C ALA A 61 -3.257 -8.820 7.115 1.00 0.00 C ATOM 883 O ALA A 61 -3.627 -9.465 6.133 1.00 0.00 O ATOM 884 CB ALA A 61 -2.783 -6.363 7.061 1.00 0.00 C ATOM 0 H ALA A 61 -1.859 -7.421 4.935 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.471 -7.872 7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.319 -6.254 8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.991 -5.616 7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.475 -6.220 6.231 1.00 0.00 H new ATOM 890 N SER A 62 -3.763 -9.006 8.330 1.00 0.00 N ATOM 891 CA SER A 62 -4.798 -10.001 8.576 1.00 0.00 C ATOM 892 C SER A 62 -6.185 -9.467 8.235 1.00 0.00 C ATOM 893 O SER A 62 -7.178 -9.833 8.864 1.00 0.00 O ATOM 894 CB SER A 62 -4.756 -10.468 10.032 1.00 0.00 C ATOM 895 OG SER A 62 -3.463 -10.296 10.586 1.00 0.00 O ATOM 0 H SER A 62 -3.474 -8.482 9.156 1.00 0.00 H new ATOM 0 HA SER A 62 -4.598 -10.851 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.484 -9.907 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.043 -11.518 10.089 1.00 0.00 H new ATOM 0 HG SER A 62 -3.463 -10.600 11.518 1.00 0.00 H new ATOM 901 N SER A 63 -6.242 -8.617 7.222 1.00 0.00 N ATOM 902 CA SER A 63 -7.498 -8.040 6.765 1.00 0.00 C ATOM 903 C SER A 63 -7.766 -8.445 5.317 1.00 0.00 C ATOM 904 O SER A 63 -8.902 -8.395 4.846 1.00 0.00 O ATOM 905 CB SER A 63 -7.460 -6.516 6.885 1.00 0.00 C ATOM 906 OG SER A 63 -8.767 -5.969 6.851 1.00 0.00 O ATOM 0 H SER A 63 -5.425 -8.309 6.696 1.00 0.00 H new ATOM 0 HA SER A 63 -8.304 -8.419 7.394 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.968 -6.234 7.816 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.866 -6.099 6.072 1.00 0.00 H new ATOM 0 HG SER A 63 -8.716 -4.994 6.931 1.00 0.00 H new ATOM 912 N VAL A 64 -6.704 -8.848 4.620 1.00 0.00 N ATOM 913 CA VAL A 64 -6.807 -9.264 3.229 1.00 0.00 C ATOM 914 C VAL A 64 -5.711 -10.267 2.876 1.00 0.00 C ATOM 915 O VAL A 64 -5.369 -10.434 1.705 1.00 0.00 O ATOM 916 CB VAL A 64 -6.697 -8.058 2.281 1.00 0.00 C ATOM 917 CG1 VAL A 64 -7.870 -7.110 2.479 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.373 -7.339 2.499 1.00 0.00 C ATOM 0 H VAL A 64 -5.759 -8.894 5.002 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.783 -9.733 3.106 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.728 -8.418 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.773 -6.264 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.802 -7.636 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.877 -6.750 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.306 -6.487 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.314 -6.989 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.549 -8.025 2.301 1.00 0.00 H new ATOM 928 N ARG A 65 -5.156 -10.924 3.896 1.00 0.00 N ATOM 929 CA ARG A 65 -4.100 -11.899 3.703 1.00 0.00 C ATOM 930 C ARG A 65 -4.569 -13.036 2.816 1.00 0.00 C ATOM 931 O ARG A 65 -4.948 -14.108 3.285 1.00 0.00 O ATOM 932 CB ARG A 65 -3.640 -12.435 5.052 1.00 0.00 C ATOM 933 CG ARG A 65 -2.186 -12.863 5.068 1.00 0.00 C ATOM 934 CD ARG A 65 -1.913 -13.951 4.042 1.00 0.00 C ATOM 935 NE ARG A 65 -0.805 -14.816 4.442 1.00 0.00 N ATOM 936 CZ ARG A 65 -0.134 -15.598 3.600 1.00 0.00 C ATOM 937 NH1 ARG A 65 -0.452 -15.624 2.311 1.00 0.00 N ATOM 938 NH2 ARG A 65 0.859 -16.355 4.046 1.00 0.00 N ATOM 0 H ARG A 65 -5.429 -10.791 4.870 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.261 -11.409 3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.793 -11.667 5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.264 -13.285 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.550 -12.002 4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.923 -13.225 6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.811 -14.553 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.686 -13.493 3.079 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.530 -14.821 5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.214 -15.043 1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.066 -16.225 1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.109 -16.338 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.373 -16.954 3.400 1.00 0.00 H new ATOM 952 N GLY A 66 -4.540 -12.770 1.528 1.00 0.00 N ATOM 953 CA GLY A 66 -4.962 -13.741 0.542 1.00 0.00 C ATOM 954 C GLY A 66 -5.922 -13.147 -0.472 1.00 0.00 C ATOM 955 O GLY A 66 -6.432 -13.853 -1.341 1.00 0.00 O ATOM 0 H GLY A 66 -4.226 -11.882 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.087 -14.135 0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.441 -14.582 1.044 1.00 0.00 H new ATOM 959 N ARG A 67 -6.171 -11.843 -0.358 1.00 0.00 N ATOM 960 CA ARG A 67 -7.079 -11.156 -1.269 1.00 0.00 C ATOM 961 C ARG A 67 -6.320 -10.192 -2.176 1.00 0.00 C ATOM 962 O ARG A 67 -6.550 -10.152 -3.384 1.00 0.00 O ATOM 963 CB ARG A 67 -8.146 -10.395 -0.480 1.00 0.00 C ATOM 964 CG ARG A 67 -8.682 -11.162 0.718 1.00 0.00 C ATOM 965 CD ARG A 67 -9.990 -10.571 1.220 1.00 0.00 C ATOM 966 NE ARG A 67 -10.069 -10.577 2.679 1.00 0.00 N ATOM 967 CZ ARG A 67 -10.104 -11.686 3.415 1.00 0.00 C ATOM 968 NH1 ARG A 67 -10.066 -12.879 2.834 1.00 0.00 N ATOM 969 NH2 ARG A 67 -10.176 -11.602 4.736 1.00 0.00 N ATOM 0 H ARG A 67 -5.756 -11.244 0.356 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.562 -11.908 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.726 -9.449 -0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.974 -10.153 -1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.835 -12.206 0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.944 -11.148 1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.089 -9.548 0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.825 -11.138 0.809 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.099 -9.679 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.010 -12.950 1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.093 -13.725 3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.205 -10.688 5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.203 -12.451 5.300 1.00 0.00 H new ATOM 983 N PHE A 68 -5.420 -9.412 -1.585 1.00 0.00 N ATOM 984 CA PHE A 68 -4.635 -8.444 -2.342 1.00 0.00 C ATOM 985 C PHE A 68 -3.261 -9.008 -2.699 1.00 0.00 C ATOM 986 O PHE A 68 -2.801 -9.974 -2.092 1.00 0.00 O ATOM 987 CB PHE A 68 -4.483 -7.146 -1.541 1.00 0.00 C ATOM 988 CG PHE A 68 -5.792 -6.482 -1.191 1.00 0.00 C ATOM 989 CD1 PHE A 68 -6.997 -6.956 -1.695 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.815 -5.377 -0.354 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.191 -6.341 -1.373 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.008 -4.759 -0.028 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.198 -5.241 -0.538 1.00 0.00 C ATOM 0 H PHE A 68 -5.217 -9.432 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.164 -8.230 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.939 -7.361 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.875 -6.447 -2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.000 -7.817 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.889 -4.994 0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.119 -6.720 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.010 -3.899 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.131 -4.759 -0.285 1.00 0.00 H new ATOM 1003 N THR A 69 -2.614 -8.402 -3.693 1.00 0.00 N ATOM 1004 CA THR A 69 -1.295 -8.852 -4.131 1.00 0.00 C ATOM 1005 C THR A 69 -0.312 -7.695 -4.207 1.00 0.00 C ATOM 1006 O THR A 69 -0.224 -6.990 -5.210 1.00 0.00 O ATOM 1007 CB THR A 69 -1.393 -9.550 -5.489 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.233 -10.689 -5.408 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.052 -10.006 -6.021 1.00 0.00 C ATOM 0 H THR A 69 -2.980 -7.601 -4.208 1.00 0.00 H new ATOM 0 HA THR A 69 -0.924 -9.562 -3.392 1.00 0.00 H new ATOM 0 HB THR A 69 -1.804 -8.805 -6.170 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.284 -11.121 -6.286 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.190 -10.493 -6.986 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.604 -9.144 -6.140 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.397 -10.710 -5.320 1.00 0.00 H new ATOM 1017 N ILE A 70 0.432 -7.530 -3.131 1.00 0.00 N ATOM 1018 CA ILE A 70 1.436 -6.480 -3.019 1.00 0.00 C ATOM 1019 C ILE A 70 2.799 -6.985 -3.496 1.00 0.00 C ATOM 1020 O ILE A 70 3.199 -8.104 -3.179 1.00 0.00 O ATOM 1021 CB ILE A 70 1.537 -6.001 -1.556 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.743 -5.076 -1.349 1.00 0.00 C ATOM 1023 CG2 ILE A 70 1.603 -7.200 -0.621 1.00 0.00 C ATOM 1024 CD1 ILE A 70 2.352 -3.657 -1.010 1.00 0.00 C ATOM 0 H ILE A 70 0.360 -8.122 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 70 1.134 -5.645 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 70 0.643 -5.422 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.366 -5.475 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.350 -5.073 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.674 -6.854 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.703 -7.804 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.479 -7.802 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.250 -3.054 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.753 -3.241 -1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.770 -3.650 -0.088 1.00 0.00 H new ATOM 1036 N SER A 71 3.508 -6.153 -4.256 1.00 0.00 N ATOM 1037 CA SER A 71 4.822 -6.526 -4.767 1.00 0.00 C ATOM 1038 C SER A 71 5.594 -5.297 -5.236 1.00 0.00 C ATOM 1039 O SER A 71 5.043 -4.200 -5.318 1.00 0.00 O ATOM 1040 CB SER A 71 4.682 -7.525 -5.917 1.00 0.00 C ATOM 1041 OG SER A 71 4.693 -8.859 -5.438 1.00 0.00 O ATOM 0 H SER A 71 3.196 -5.221 -4.530 1.00 0.00 H new ATOM 0 HA SER A 71 5.379 -6.994 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.753 -7.336 -6.456 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.497 -7.383 -6.627 1.00 0.00 H new ATOM 0 HG SER A 71 4.192 -8.909 -4.597 1.00 0.00 H new ATOM 1047 N ARG A 72 6.872 -5.489 -5.545 1.00 0.00 N ATOM 1048 CA ARG A 72 7.720 -4.397 -6.008 1.00 0.00 C ATOM 1049 C ARG A 72 8.200 -4.652 -7.432 1.00 0.00 C ATOM 1050 O ARG A 72 8.539 -5.780 -7.790 1.00 0.00 O ATOM 1051 CB ARG A 72 8.920 -4.222 -5.075 1.00 0.00 C ATOM 1052 CG ARG A 72 9.809 -5.453 -4.988 1.00 0.00 C ATOM 1053 CD ARG A 72 10.749 -5.376 -3.796 1.00 0.00 C ATOM 1054 NE ARG A 72 10.928 -6.677 -3.156 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.691 -7.649 -3.649 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.355 -7.469 -4.784 1.00 0.00 N ATOM 1057 NH2 ARG A 72 11.793 -8.802 -3.004 1.00 0.00 N ATOM 0 H ARG A 72 7.343 -6.391 -5.483 1.00 0.00 H new ATOM 0 HA ARG A 72 7.129 -3.481 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.517 -3.377 -5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.560 -3.973 -4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.189 -6.346 -4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.390 -5.550 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.717 -4.996 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.356 -4.665 -3.069 1.00 0.00 H new ATOM 0 HE ARG A 72 10.438 -6.851 -2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.282 -6.582 -5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.939 -8.217 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.287 -8.944 -2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.378 -9.548 -3.382 1.00 0.00 H new ATOM 1071 N ASP A 73 8.225 -3.599 -8.242 1.00 0.00 N ATOM 1072 CA ASP A 73 8.663 -3.715 -9.628 1.00 0.00 C ATOM 1073 C ASP A 73 10.174 -3.909 -9.708 1.00 0.00 C ATOM 1074 O ASP A 73 10.678 -4.565 -10.620 1.00 0.00 O ATOM 1075 CB ASP A 73 8.252 -2.475 -10.422 1.00 0.00 C ATOM 1076 CG ASP A 73 8.638 -2.569 -11.886 1.00 0.00 C ATOM 1077 OD1 ASP A 73 8.873 -3.698 -12.367 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.707 -1.514 -12.551 1.00 0.00 O ATOM 0 H ASP A 73 7.948 -2.658 -7.963 1.00 0.00 H new ATOM 0 HA ASP A 73 8.180 -4.590 -10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.174 -2.337 -10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.720 -1.594 -9.982 1.00 0.00 H new ATOM 1083 N ASN A 74 10.891 -3.334 -8.749 1.00 0.00 N ATOM 1084 CA ASN A 74 12.345 -3.443 -8.713 1.00 0.00 C ATOM 1085 C ASN A 74 12.969 -2.880 -9.988 1.00 0.00 C ATOM 1086 O ASN A 74 14.088 -3.240 -10.354 1.00 0.00 O ATOM 1087 CB ASN A 74 12.764 -4.903 -8.527 1.00 0.00 C ATOM 1088 CG ASN A 74 13.855 -5.063 -7.487 1.00 0.00 C ATOM 1089 OD1 ASN A 74 14.399 -4.080 -6.984 1.00 0.00 O ATOM 1090 ND2 ASN A 74 14.183 -6.308 -7.158 1.00 0.00 N ATOM 0 H ASN A 74 10.490 -2.788 -7.987 1.00 0.00 H new ATOM 0 HA ASN A 74 12.705 -2.858 -7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.896 -5.493 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.112 -5.302 -9.479 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.911 -6.477 -6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.707 -7.095 -7.599 1.00 0.00 H new ATOM 1097 N ALA A 75 12.240 -1.993 -10.660 1.00 0.00 N ATOM 1098 CA ALA A 75 12.722 -1.381 -11.889 1.00 0.00 C ATOM 1099 C ALA A 75 12.907 0.121 -11.714 1.00 0.00 C ATOM 1100 O ALA A 75 13.874 0.701 -12.209 1.00 0.00 O ATOM 1101 CB ALA A 75 11.762 -1.668 -13.034 1.00 0.00 C ATOM 0 H ALA A 75 11.312 -1.683 -10.371 1.00 0.00 H new ATOM 0 HA ALA A 75 13.693 -1.816 -12.128 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.135 -1.204 -13.947 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.682 -2.745 -13.181 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.779 -1.261 -12.796 1.00 0.00 H new ATOM 1107 N LYS A 76 11.975 0.746 -11.002 1.00 0.00 N ATOM 1108 CA LYS A 76 12.034 2.181 -10.755 1.00 0.00 C ATOM 1109 C LYS A 76 11.711 2.497 -9.297 1.00 0.00 C ATOM 1110 O LYS A 76 11.251 3.593 -8.977 1.00 0.00 O ATOM 1111 CB LYS A 76 11.062 2.921 -11.678 1.00 0.00 C ATOM 1112 CG LYS A 76 9.684 2.282 -11.755 1.00 0.00 C ATOM 1113 CD LYS A 76 9.039 2.510 -13.113 1.00 0.00 C ATOM 1114 CE LYS A 76 7.545 2.760 -12.985 1.00 0.00 C ATOM 1115 NZ LYS A 76 6.828 2.510 -14.266 1.00 0.00 N ATOM 0 H LYS A 76 11.169 0.280 -10.586 1.00 0.00 H new ATOM 0 HA LYS A 76 13.049 2.518 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.957 3.949 -11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.489 2.965 -12.680 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.767 1.212 -11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.046 2.695 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.511 3.362 -13.603 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.211 1.641 -13.749 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.134 2.116 -12.208 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.375 3.789 -12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.812 2.692 -14.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.202 3.142 -15.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.969 1.521 -14.555 1.00 0.00 H new ATOM 1129 N LYS A 77 11.958 1.531 -8.417 1.00 0.00 N ATOM 1130 CA LYS A 77 11.697 1.707 -6.993 1.00 0.00 C ATOM 1131 C LYS A 77 10.226 2.032 -6.742 1.00 0.00 C ATOM 1132 O LYS A 77 9.902 2.980 -6.027 1.00 0.00 O ATOM 1133 CB LYS A 77 12.582 2.819 -6.426 1.00 0.00 C ATOM 1134 CG LYS A 77 14.053 2.443 -6.346 1.00 0.00 C ATOM 1135 CD LYS A 77 14.648 2.227 -7.729 1.00 0.00 C ATOM 1136 CE LYS A 77 16.078 2.739 -7.809 1.00 0.00 C ATOM 1137 NZ LYS A 77 16.288 3.614 -8.995 1.00 0.00 N ATOM 0 H LYS A 77 12.339 0.618 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 77 11.932 0.770 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.476 3.709 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.228 3.082 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 77 14.603 3.230 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.166 1.535 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.627 1.165 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.036 2.737 -8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 77 16.316 3.294 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.764 1.894 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.275 3.942 -9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.085 3.077 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.651 4.434 -8.938 1.00 0.00 H new ATOM 1151 N THR A 78 9.340 1.239 -7.337 1.00 0.00 N ATOM 1152 CA THR A 78 7.905 1.445 -7.177 1.00 0.00 C ATOM 1153 C THR A 78 7.220 0.179 -6.671 1.00 0.00 C ATOM 1154 O THR A 78 7.612 -0.937 -7.017 1.00 0.00 O ATOM 1155 CB THR A 78 7.280 1.876 -8.503 1.00 0.00 C ATOM 1156 OG1 THR A 78 7.890 3.060 -8.984 1.00 0.00 O ATOM 1157 CG2 THR A 78 5.791 2.131 -8.408 1.00 0.00 C ATOM 0 H THR A 78 9.590 0.450 -7.933 1.00 0.00 H new ATOM 0 HA THR A 78 7.761 2.233 -6.438 1.00 0.00 H new ATOM 0 HB THR A 78 7.446 1.042 -9.185 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.377 3.407 -9.744 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.411 2.433 -9.384 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.286 1.220 -8.088 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.603 2.924 -7.684 1.00 0.00 H new ATOM 1165 N VAL A 79 6.186 0.366 -5.859 1.00 0.00 N ATOM 1166 CA VAL A 79 5.429 -0.750 -5.308 1.00 0.00 C ATOM 1167 C VAL A 79 4.038 -0.816 -5.930 1.00 0.00 C ATOM 1168 O VAL A 79 3.449 0.212 -6.260 1.00 0.00 O ATOM 1169 CB VAL A 79 5.298 -0.644 -3.778 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.670 -0.671 -3.122 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.535 0.613 -3.384 1.00 0.00 C ATOM 0 H VAL A 79 5.852 1.285 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 79 5.978 -1.661 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 79 4.732 -1.505 -3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.558 -0.595 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.173 -1.605 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.263 0.168 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.456 0.665 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.066 1.491 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.536 0.584 -3.820 1.00 0.00 H new ATOM 1181 N TYR A 80 3.520 -2.028 -6.092 1.00 0.00 N ATOM 1182 CA TYR A 80 2.201 -2.214 -6.680 1.00 0.00 C ATOM 1183 C TYR A 80 1.411 -3.271 -5.920 1.00 0.00 C ATOM 1184 O TYR A 80 1.936 -4.335 -5.593 1.00 0.00 O ATOM 1185 CB TYR A 80 2.326 -2.617 -8.148 1.00 0.00 C ATOM 1186 CG TYR A 80 3.220 -1.713 -8.951 1.00 0.00 C ATOM 1187 CD1 TYR A 80 4.587 -1.678 -8.724 1.00 0.00 C ATOM 1188 CD2 TYR A 80 2.695 -0.900 -9.945 1.00 0.00 C ATOM 1189 CE1 TYR A 80 5.408 -0.856 -9.464 1.00 0.00 C ATOM 1190 CE2 TYR A 80 3.510 -0.076 -10.691 1.00 0.00 C ATOM 1191 CZ TYR A 80 4.864 -0.058 -10.445 1.00 0.00 C ATOM 1192 OH TYR A 80 5.681 0.763 -11.187 1.00 0.00 O ATOM 0 H TYR A 80 3.992 -2.892 -5.825 1.00 0.00 H new ATOM 0 HA TYR A 80 1.666 -1.267 -6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.710 -3.636 -8.204 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.334 -2.625 -8.599 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.015 -2.305 -7.955 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.632 -0.913 -10.137 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.471 -0.838 -9.276 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.089 0.551 -11.463 1.00 0.00 H new ATOM 0 HH TYR A 80 5.142 1.259 -11.838 1.00 0.00 H new ATOM 1202 N LEU A 81 0.145 -2.975 -5.642 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.707 -3.911 -4.922 1.00 0.00 C ATOM 1204 C LEU A 81 -2.022 -4.141 -5.666 1.00 0.00 C ATOM 1205 O LEU A 81 -2.798 -3.209 -5.887 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.960 -3.414 -3.488 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.278 -2.669 -3.251 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.538 -2.509 -1.762 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.252 -1.312 -3.935 1.00 0.00 C ATOM 0 H LEU A 81 -0.310 -2.100 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.190 -4.869 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.927 -4.273 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.139 -2.756 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.089 -3.257 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.478 -1.978 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.598 -3.492 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.725 -1.942 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.196 -0.796 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.432 -0.717 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.110 -1.448 -5.007 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.256 -5.392 -6.049 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.463 -5.769 -6.765 1.00 0.00 C ATOM 1223 C GLN A 82 -4.543 -6.224 -5.791 1.00 0.00 C ATOM 1224 O GLN A 82 -4.445 -7.298 -5.199 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.147 -6.886 -7.751 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.001 -6.850 -9.004 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.593 -7.896 -10.021 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -2.674 -7.687 -10.812 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -4.279 -9.031 -10.003 1.00 0.00 N ATOM 0 H GLN A 82 -1.617 -6.167 -5.872 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.833 -4.900 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.097 -6.822 -8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.285 -7.847 -7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.045 -7.002 -8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.931 -5.861 -9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.033 -9.160 -9.329 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.052 -9.775 -10.663 1.00 0.00 H new ATOM 1238 N MET A 83 -5.569 -5.399 -5.622 1.00 0.00 N ATOM 1239 CA MET A 83 -6.658 -5.719 -4.711 1.00 0.00 C ATOM 1240 C MET A 83 -7.814 -6.392 -5.443 1.00 0.00 C ATOM 1241 O MET A 83 -8.726 -5.723 -5.930 1.00 0.00 O ATOM 1242 CB MET A 83 -7.150 -4.452 -4.011 1.00 0.00 C ATOM 1243 CG MET A 83 -6.041 -3.638 -3.383 1.00 0.00 C ATOM 1244 SD MET A 83 -6.596 -2.013 -2.833 1.00 0.00 S ATOM 1245 CE MET A 83 -7.229 -1.336 -4.364 1.00 0.00 C ATOM 0 H MET A 83 -5.669 -4.505 -6.103 1.00 0.00 H new ATOM 0 HA MET A 83 -6.277 -6.417 -3.966 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.681 -3.831 -4.733 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.868 -4.729 -3.239 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.631 -4.184 -2.533 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.232 -3.516 -4.104 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.478 -0.285 -4.221 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.472 -1.427 -5.143 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.123 -1.884 -4.662 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.773 -7.719 -5.512 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.817 -8.482 -6.176 1.00 0.00 C ATOM 1257 C ASN A 84 -9.973 -8.755 -5.222 1.00 0.00 C ATOM 1258 O ASN A 84 -9.899 -8.433 -4.036 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.279 -9.812 -6.719 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.762 -9.912 -6.720 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -6.102 -9.595 -5.731 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -6.203 -10.363 -7.836 1.00 0.00 N ATOM 0 H ASN A 84 -7.025 -8.287 -5.114 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.173 -7.883 -7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.686 -10.628 -6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.643 -9.950 -7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.189 -10.458 -7.896 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.787 -10.615 -8.633 1.00 0.00 H new ATOM 1269 N SER A 85 -11.033 -9.362 -5.754 1.00 0.00 N ATOM 1270 CA SER A 85 -12.222 -9.702 -4.968 1.00 0.00 C ATOM 1271 C SER A 85 -12.489 -8.678 -3.864 1.00 0.00 C ATOM 1272 O SER A 85 -12.872 -9.037 -2.751 1.00 0.00 O ATOM 1273 CB SER A 85 -12.066 -11.096 -4.356 1.00 0.00 C ATOM 1274 OG SER A 85 -13.305 -11.783 -4.329 1.00 0.00 O ATOM 0 H SER A 85 -11.094 -9.631 -6.736 1.00 0.00 H new ATOM 0 HA SER A 85 -13.076 -9.691 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.341 -11.670 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.672 -11.010 -3.343 1.00 0.00 H new ATOM 0 HG SER A 85 -13.178 -12.671 -3.935 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.281 -7.402 -4.180 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.493 -6.327 -3.218 1.00 0.00 C ATOM 1282 C LEU A 86 -13.834 -6.480 -2.506 1.00 0.00 C ATOM 1283 O LEU A 86 -14.740 -7.151 -3.000 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.422 -4.967 -3.917 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.434 -3.974 -3.298 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.144 -3.934 -4.103 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -12.054 -2.585 -3.206 1.00 0.00 C ATOM 0 H LEU A 86 -11.965 -7.088 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.702 -6.386 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.150 -5.125 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.416 -4.520 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.198 -4.309 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.454 -3.223 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.690 -4.925 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.362 -3.625 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.336 -1.895 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.322 -2.239 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.948 -2.626 -2.584 1.00 0.00 H new ATOM 1299 N LYS A 87 -13.949 -5.853 -1.342 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.174 -5.917 -0.556 1.00 0.00 C ATOM 1301 C LYS A 87 -15.831 -4.543 -0.463 1.00 0.00 C ATOM 1302 O LYS A 87 -15.202 -3.525 -0.750 1.00 0.00 O ATOM 1303 CB LYS A 87 -14.874 -6.446 0.849 1.00 0.00 C ATOM 1304 CG LYS A 87 -14.936 -7.961 0.958 1.00 0.00 C ATOM 1305 CD LYS A 87 -13.835 -8.625 0.146 1.00 0.00 C ATOM 1306 CE LYS A 87 -12.456 -8.173 0.599 1.00 0.00 C ATOM 1307 NZ LYS A 87 -12.262 -8.358 2.063 1.00 0.00 N ATOM 0 H LYS A 87 -13.207 -5.294 -0.921 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.863 -6.598 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.882 -6.109 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.585 -6.011 1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.846 -8.255 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.908 -8.312 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.914 -9.708 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.968 -8.389 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.694 -8.735 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.317 -7.122 0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.257 -8.233 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.829 -7.655 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.565 -9.315 2.335 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.112 -4.495 -0.058 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.853 -3.239 0.072 1.00 0.00 C ATOM 1323 C PRO A 88 -17.547 -2.506 1.376 1.00 0.00 C ATOM 1324 O PRO A 88 -18.198 -1.515 1.709 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.305 -3.703 0.048 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.270 -5.051 0.683 1.00 0.00 C ATOM 1327 CD PRO A 88 -17.944 -5.661 0.304 1.00 0.00 C ATOM 0 HA PRO A 88 -17.596 -2.526 -0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.950 -3.020 0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.690 -3.753 -0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.367 -4.974 1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.097 -5.668 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.510 -6.221 1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.046 -6.354 -0.531 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.558 -3.000 2.111 1.00 0.00 N ATOM 1336 CA GLU A 89 -16.165 -2.399 3.376 1.00 0.00 C ATOM 1337 C GLU A 89 -14.709 -1.925 3.330 1.00 0.00 C ATOM 1338 O GLU A 89 -14.196 -1.376 4.306 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.369 -3.413 4.508 1.00 0.00 C ATOM 1340 CG GLU A 89 -15.652 -3.056 5.799 1.00 0.00 C ATOM 1341 CD GLU A 89 -16.250 -3.747 7.009 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -17.492 -3.862 7.074 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -15.476 -4.173 7.891 1.00 0.00 O ATOM 0 H GLU A 89 -16.012 -3.820 1.849 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.790 -1.525 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.436 -3.504 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -16.024 -4.391 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.600 -3.328 5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.691 -1.977 5.945 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.047 -2.132 2.193 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.658 -1.718 2.034 1.00 0.00 C ATOM 1352 C ASP A 90 -12.563 -0.232 1.695 1.00 0.00 C ATOM 1353 O ASP A 90 -11.479 0.350 1.723 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.980 -2.549 0.943 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.431 -3.860 1.472 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -11.002 -3.894 2.644 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.432 -4.852 0.713 1.00 0.00 O ATOM 0 H ASP A 90 -14.450 -2.583 1.372 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.145 -1.885 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.697 -2.753 0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.169 -1.971 0.501 1.00 0.00 H new ATOM 1362 N THR A 91 -13.704 0.379 1.377 1.00 0.00 N ATOM 1363 CA THR A 91 -13.750 1.791 1.036 1.00 0.00 C ATOM 1364 C THR A 91 -13.069 2.643 2.104 1.00 0.00 C ATOM 1365 O THR A 91 -13.585 2.800 3.211 1.00 0.00 O ATOM 1366 CB THR A 91 -15.205 2.211 0.870 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.809 1.478 -0.178 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.385 3.685 0.573 1.00 0.00 C ATOM 0 H THR A 91 -14.610 -0.089 1.350 1.00 0.00 H new ATOM 0 HA THR A 91 -13.210 1.947 0.102 1.00 0.00 H new ATOM 0 HB THR A 91 -15.679 2.003 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.775 1.643 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.447 3.908 0.468 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.969 4.274 1.390 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.868 3.935 -0.354 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.906 3.189 1.763 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.151 4.024 2.691 1.00 0.00 C ATOM 1378 C ALA A 92 -9.983 4.705 1.987 1.00 0.00 C ATOM 1379 O ALA A 92 -9.710 4.436 0.818 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.655 3.192 3.865 1.00 0.00 C ATOM 0 H ALA A 92 -11.466 3.068 0.851 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.815 4.801 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.093 3.827 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.507 2.758 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.009 2.394 3.498 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.292 5.587 2.705 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.155 6.296 2.145 1.00 0.00 C ATOM 1388 C VAL A 93 -6.909 5.411 2.130 1.00 0.00 C ATOM 1389 O VAL A 93 -6.283 5.180 3.163 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.885 7.597 2.929 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -7.275 7.312 4.294 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -7.000 8.535 2.124 1.00 0.00 C ATOM 0 H VAL A 93 -9.503 5.824 3.674 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.397 6.557 1.115 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.844 8.088 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.099 8.252 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.959 6.695 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.330 6.785 4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.822 9.446 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -6.049 8.047 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.494 8.786 1.185 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.560 4.910 0.950 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.404 4.049 0.797 1.00 0.00 C ATOM 1404 C TYR A 94 -4.129 4.879 0.714 1.00 0.00 C ATOM 1405 O TYR A 94 -3.787 5.404 -0.346 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.564 3.205 -0.463 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.190 1.851 -0.221 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.542 1.734 0.073 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.431 0.689 -0.294 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.122 0.499 0.289 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -6.004 -0.551 -0.081 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.349 -0.640 0.210 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.924 -1.873 0.421 1.00 0.00 O ATOM 0 H TYR A 94 -7.068 5.090 0.084 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.331 3.394 1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.175 3.753 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.585 3.064 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.151 2.624 0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.377 0.756 -0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.175 0.426 0.518 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.401 -1.445 -0.142 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.565 -2.516 -0.225 1.00 0.00 H new ATOM 1423 N THR A 95 -3.430 4.999 1.836 1.00 0.00 N ATOM 1424 CA THR A 95 -2.197 5.775 1.881 1.00 0.00 C ATOM 1425 C THR A 95 -0.981 4.863 1.985 1.00 0.00 C ATOM 1426 O THR A 95 -0.932 3.976 2.834 1.00 0.00 O ATOM 1427 CB THR A 95 -2.223 6.743 3.064 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.489 7.370 3.172 1.00 0.00 O ATOM 1429 CG2 THR A 95 -1.177 7.832 2.969 1.00 0.00 C ATOM 0 H THR A 95 -3.694 4.571 2.723 1.00 0.00 H new ATOM 0 HA THR A 95 -2.123 6.344 0.954 1.00 0.00 H new ATOM 0 HB THR A 95 -2.009 6.132 3.941 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.486 7.984 3.936 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.250 8.484 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.185 7.382 2.935 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.341 8.416 2.064 1.00 0.00 H new ATOM 1437 N CYS A 96 0.002 5.089 1.121 1.00 0.00 N ATOM 1438 CA CYS A 96 1.217 4.285 1.128 1.00 0.00 C ATOM 1439 C CYS A 96 2.342 5.016 1.851 1.00 0.00 C ATOM 1440 O CYS A 96 2.473 6.235 1.745 1.00 0.00 O ATOM 1441 CB CYS A 96 1.643 3.940 -0.301 1.00 0.00 C ATOM 1442 SG CYS A 96 2.035 5.386 -1.336 1.00 0.00 S ATOM 0 H CYS A 96 -0.019 5.820 0.410 1.00 0.00 H new ATOM 0 HA CYS A 96 1.007 3.358 1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.517 3.290 -0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.845 3.372 -0.778 1.00 0.00 H new ATOM 1447 N GLY A 97 3.149 4.262 2.589 1.00 0.00 N ATOM 1448 CA GLY A 97 4.250 4.852 3.323 1.00 0.00 C ATOM 1449 C GLY A 97 5.476 3.962 3.335 1.00 0.00 C ATOM 1450 O GLY A 97 5.449 2.852 2.806 1.00 0.00 O ATOM 0 H GLY A 97 3.059 3.251 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.506 5.814 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.936 5.048 4.348 1.00 0.00 H new ATOM 1454 N ALA A 98 6.554 4.449 3.941 1.00 0.00 N ATOM 1455 CA ALA A 98 7.793 3.685 4.018 1.00 0.00 C ATOM 1456 C ALA A 98 8.272 3.566 5.458 1.00 0.00 C ATOM 1457 O ALA A 98 7.807 4.289 6.339 1.00 0.00 O ATOM 1458 CB ALA A 98 8.865 4.328 3.151 1.00 0.00 C ATOM 0 H ALA A 98 6.594 5.367 4.385 1.00 0.00 H new ATOM 0 HA ALA A 98 7.597 2.680 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.785 3.747 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.528 4.354 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.052 5.344 3.498 1.00 0.00 H new ATOM 1464 N GLY A 99 9.201 2.647 5.690 1.00 0.00 N ATOM 1465 CA GLY A 99 9.723 2.448 7.028 1.00 0.00 C ATOM 1466 C GLY A 99 11.116 3.016 7.203 1.00 0.00 C ATOM 1467 O GLY A 99 11.709 3.532 6.255 1.00 0.00 O ATOM 0 H GLY A 99 9.601 2.037 4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.052 2.915 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.739 1.381 7.252 1.00 0.00 H new ATOM 1471 N GLU A 100 11.637 2.927 8.422 1.00 0.00 N ATOM 1472 CA GLU A 100 12.965 3.435 8.729 1.00 0.00 C ATOM 1473 C GLU A 100 13.346 3.108 10.170 1.00 0.00 C ATOM 1474 O GLU A 100 12.693 3.557 11.112 1.00 0.00 O ATOM 1475 CB GLU A 100 13.008 4.944 8.505 1.00 0.00 C ATOM 1476 CG GLU A 100 13.615 5.346 7.170 1.00 0.00 C ATOM 1477 CD GLU A 100 12.764 6.353 6.421 1.00 0.00 C ATOM 1478 OE1 GLU A 100 11.530 6.167 6.371 1.00 0.00 O ATOM 1479 OE2 GLU A 100 13.332 7.326 5.883 1.00 0.00 O ATOM 0 H GLU A 100 11.155 2.505 9.216 1.00 0.00 H new ATOM 0 HA GLU A 100 13.684 2.954 8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.995 5.341 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.582 5.406 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.606 5.767 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.747 4.457 6.553 1.00 0.00 H new ATOM 1486 N GLY A 101 14.404 2.321 10.334 1.00 0.00 N ATOM 1487 CA GLY A 101 14.851 1.944 11.658 1.00 0.00 C ATOM 1488 C GLY A 101 13.813 1.141 12.422 1.00 0.00 C ATOM 1489 O GLY A 101 13.917 0.982 13.638 1.00 0.00 O ATOM 0 H GLY A 101 14.960 1.938 9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.767 1.359 11.575 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.097 2.843 12.223 1.00 0.00 H new ATOM 1493 N GLY A 102 12.809 0.635 11.710 1.00 0.00 N ATOM 1494 CA GLY A 102 11.767 -0.147 12.349 1.00 0.00 C ATOM 1495 C GLY A 102 10.456 0.610 12.465 1.00 0.00 C ATOM 1496 O GLY A 102 9.422 0.025 12.787 1.00 0.00 O ATOM 0 H GLY A 102 12.700 0.753 10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.604 -1.062 11.780 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.100 -0.445 13.343 1.00 0.00 H new ATOM 1500 N THR A 103 10.498 1.915 12.206 1.00 0.00 N ATOM 1501 CA THR A 103 9.314 2.751 12.287 1.00 0.00 C ATOM 1502 C THR A 103 8.768 3.044 10.891 1.00 0.00 C ATOM 1503 O THR A 103 9.331 2.605 9.890 1.00 0.00 O ATOM 1504 CB THR A 103 9.675 4.056 12.989 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.499 3.807 14.114 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.480 4.852 13.467 1.00 0.00 C ATOM 0 H THR A 103 11.346 2.414 11.937 1.00 0.00 H new ATOM 0 HA THR A 103 8.543 2.228 12.852 1.00 0.00 H new ATOM 0 HB THR A 103 10.193 4.645 12.232 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.722 4.656 14.551 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.822 5.765 13.955 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.850 5.110 12.615 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.905 4.256 14.176 1.00 0.00 H new ATOM 1514 N TRP A 104 7.674 3.794 10.836 1.00 0.00 N ATOM 1515 CA TRP A 104 7.053 4.158 9.568 1.00 0.00 C ATOM 1516 C TRP A 104 6.645 5.627 9.573 1.00 0.00 C ATOM 1517 O TRP A 104 5.496 5.962 9.858 1.00 0.00 O ATOM 1518 CB TRP A 104 5.832 3.279 9.301 1.00 0.00 C ATOM 1519 CG TRP A 104 6.179 1.841 9.072 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.410 0.894 10.025 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.340 1.189 7.807 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.701 -0.312 9.432 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.664 -0.155 8.070 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.239 1.611 6.478 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.889 -1.080 7.052 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.463 0.693 5.469 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.783 -0.639 5.761 1.00 0.00 C ATOM 0 H TRP A 104 7.197 4.163 11.658 1.00 0.00 H new ATOM 0 HA TRP A 104 7.782 4.000 8.773 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.149 3.351 10.147 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.301 3.661 8.429 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.370 1.066 11.090 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.910 -1.181 9.924 1.00 0.00 H new ATOM 0 HE3 TRP A 104 5.990 2.636 6.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.138 -2.107 7.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.390 1.008 4.439 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.950 -1.333 4.950 1.00 0.00 H new ATOM 1538 N ASP A 105 7.598 6.499 9.264 1.00 0.00 N ATOM 1539 CA ASP A 105 7.343 7.934 9.241 1.00 0.00 C ATOM 1540 C ASP A 105 7.097 8.437 7.817 1.00 0.00 C ATOM 1541 O ASP A 105 6.692 9.583 7.620 1.00 0.00 O ATOM 1542 CB ASP A 105 8.515 8.680 9.881 1.00 0.00 C ATOM 1543 CG ASP A 105 8.498 10.172 9.600 1.00 0.00 C ATOM 1544 OD1 ASP A 105 9.072 10.589 8.573 1.00 0.00 O ATOM 1545 OD2 ASP A 105 7.909 10.921 10.408 1.00 0.00 O ATOM 0 H ASP A 105 8.555 6.237 9.026 1.00 0.00 H new ATOM 0 HA ASP A 105 6.438 8.129 9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.495 8.519 10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.450 8.258 9.513 1.00 0.00 H new ATOM 1550 N SER A 106 7.340 7.581 6.827 1.00 0.00 N ATOM 1551 CA SER A 106 7.138 7.955 5.433 1.00 0.00 C ATOM 1552 C SER A 106 5.715 7.638 4.988 1.00 0.00 C ATOM 1553 O SER A 106 5.196 6.557 5.262 1.00 0.00 O ATOM 1554 CB SER A 106 8.149 7.230 4.536 1.00 0.00 C ATOM 1555 OG SER A 106 7.535 6.716 3.366 1.00 0.00 O ATOM 0 H SER A 106 7.676 6.628 6.965 1.00 0.00 H new ATOM 0 HA SER A 106 7.294 9.030 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.947 7.918 4.256 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.611 6.415 5.093 1.00 0.00 H new ATOM 0 HG SER A 106 6.918 7.384 3.000 1.00 0.00 H new ATOM 1561 N TRP A 107 5.093 8.587 4.296 1.00 0.00 N ATOM 1562 CA TRP A 107 3.734 8.412 3.806 1.00 0.00 C ATOM 1563 C TRP A 107 3.547 9.119 2.470 1.00 0.00 C ATOM 1564 O TRP A 107 4.366 9.950 2.074 1.00 0.00 O ATOM 1565 CB TRP A 107 2.729 8.952 4.822 1.00 0.00 C ATOM 1566 CG TRP A 107 2.968 8.459 6.216 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.772 9.030 7.159 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.399 7.294 6.824 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.739 8.291 8.317 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.903 7.220 8.137 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.512 6.306 6.387 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.549 6.198 9.014 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.162 5.292 7.259 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.679 5.245 8.559 1.00 0.00 C ATOM 0 H TRP A 107 5.512 9.487 4.062 1.00 0.00 H new ATOM 0 HA TRP A 107 3.560 7.345 3.664 1.00 0.00 H new ATOM 0 HB2 TRP A 107 2.769 10.041 4.818 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.723 8.669 4.512 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.350 9.931 7.016 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.253 8.505 9.172 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.107 6.334 5.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.947 6.159 10.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.478 4.523 6.932 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.385 4.440 9.216 1.00 0.00 H new ATOM 1585 N GLY A 108 2.465 8.785 1.781 1.00 0.00 N ATOM 1586 CA GLY A 108 2.185 9.395 0.495 1.00 0.00 C ATOM 1587 C GLY A 108 1.025 10.369 0.557 1.00 0.00 C ATOM 1588 O GLY A 108 0.545 10.705 1.639 1.00 0.00 O ATOM 0 H GLY A 108 1.774 8.101 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.075 9.916 0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.962 8.615 -0.233 1.00 0.00 H new ATOM 1592 N GLN A 109 0.574 10.821 -0.608 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.539 11.760 -0.683 1.00 0.00 C ATOM 1594 C GLN A 109 -1.847 11.076 -0.305 1.00 0.00 C ATOM 1595 O GLN A 109 -2.748 11.699 0.255 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.643 12.343 -2.090 1.00 0.00 C ATOM 1597 CG GLN A 109 -1.447 13.631 -2.158 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.705 14.813 -1.565 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -0.956 15.210 -0.427 1.00 0.00 O ATOM 1600 NE2 GLN A 109 0.216 15.381 -2.335 1.00 0.00 N ATOM 0 H GLN A 109 0.962 10.553 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.353 12.568 0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.361 12.531 -2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.101 11.604 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.694 13.846 -3.198 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.390 13.495 -1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.391 15.019 -3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.748 16.179 -1.989 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.942 9.789 -0.618 1.00 0.00 N ATOM 1610 CA GLY A 110 -3.141 9.034 -0.307 1.00 0.00 C ATOM 1611 C GLY A 110 -4.043 8.856 -1.512 1.00 0.00 C ATOM 1612 O GLY A 110 -4.050 9.687 -2.420 1.00 0.00 O ATOM 0 H GLY A 110 -1.208 9.254 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.860 8.055 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.692 9.543 0.484 1.00 0.00 H new ATOM 1616 N THR A 111 -4.808 7.770 -1.518 1.00 0.00 N ATOM 1617 CA THR A 111 -5.722 7.484 -2.617 1.00 0.00 C ATOM 1618 C THR A 111 -6.992 6.827 -2.094 1.00 0.00 C ATOM 1619 O THR A 111 -7.004 5.639 -1.778 1.00 0.00 O ATOM 1620 CB THR A 111 -5.049 6.578 -3.649 1.00 0.00 C ATOM 1621 OG1 THR A 111 -6.004 6.064 -4.559 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.322 5.402 -3.034 1.00 0.00 C ATOM 0 H THR A 111 -4.813 7.073 -0.773 1.00 0.00 H new ATOM 0 HA THR A 111 -5.987 8.426 -3.098 1.00 0.00 H new ATOM 0 HB THR A 111 -4.318 7.209 -4.154 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.180 5.123 -4.352 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.868 4.802 -3.823 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.545 5.766 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.029 4.790 -2.473 1.00 0.00 H new ATOM 1630 N GLN A 112 -8.059 7.609 -1.993 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.328 7.098 -1.494 1.00 0.00 C ATOM 1632 C GLN A 112 -9.886 6.017 -2.409 1.00 0.00 C ATOM 1633 O GLN A 112 -9.843 6.129 -3.634 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.334 8.247 -1.318 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.802 7.841 -1.387 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.382 7.550 -0.021 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.609 6.865 0.810 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.509 7.937 0.284 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.071 8.596 -2.249 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.152 6.642 -0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.151 8.725 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.144 8.996 -2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.375 8.638 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.903 6.958 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.068 8.461 -0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.885 7.734 1.210 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.418 4.974 -1.787 1.00 0.00 N ATOM 1648 CA VAL A 113 -11.004 3.858 -2.508 1.00 0.00 C ATOM 1649 C VAL A 113 -12.511 3.822 -2.277 1.00 0.00 C ATOM 1650 O VAL A 113 -12.969 3.678 -1.143 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.379 2.527 -2.051 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -11.160 1.335 -2.590 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.921 2.451 -2.480 1.00 0.00 C ATOM 0 H VAL A 113 -10.454 4.880 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.803 3.992 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.425 2.490 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.694 0.410 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.187 1.378 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.159 1.362 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.493 1.504 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.857 2.519 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.366 3.276 -2.032 1.00 0.00 H new ATOM 1663 N THR A 114 -13.274 3.968 -3.354 1.00 0.00 N ATOM 1664 CA THR A 114 -14.728 3.964 -3.268 1.00 0.00 C ATOM 1665 C THR A 114 -15.301 2.590 -3.607 1.00 0.00 C ATOM 1666 O THR A 114 -15.072 2.061 -4.695 1.00 0.00 O ATOM 1667 CB THR A 114 -15.311 5.027 -4.204 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.901 6.323 -3.804 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.825 5.022 -4.255 1.00 0.00 C ATOM 0 H THR A 114 -12.908 4.091 -4.298 1.00 0.00 H new ATOM 0 HA THR A 114 -15.007 4.198 -2.241 1.00 0.00 H new ATOM 0 HB THR A 114 -14.931 4.777 -5.195 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.281 6.989 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.169 5.800 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.174 4.051 -4.607 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.223 5.211 -3.258 1.00 0.00 H new ATOM 1677 N VAL A 115 -16.053 2.022 -2.667 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.669 0.717 -2.858 1.00 0.00 C ATOM 1679 C VAL A 115 -17.957 0.617 -2.052 1.00 0.00 C ATOM 1680 O VAL A 115 -18.200 1.414 -1.147 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.732 -0.436 -2.442 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -16.033 -1.686 -3.256 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.270 -0.035 -2.590 1.00 0.00 C ATOM 0 H VAL A 115 -16.249 2.450 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.880 0.621 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 115 -15.913 -0.657 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.363 -2.490 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -17.066 -1.990 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.886 -1.475 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.632 -0.867 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -14.067 0.221 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.063 0.828 -1.956 1.00 0.00 H new ATOM 1693 N SER A 116 -18.777 -0.369 -2.389 1.00 0.00 N ATOM 1694 CA SER A 116 -20.050 -0.588 -1.703 1.00 0.00 C ATOM 1695 C SER A 116 -20.906 -1.596 -2.458 1.00 0.00 C ATOM 1696 O SER A 116 -21.301 -2.627 -1.914 1.00 0.00 O ATOM 1697 CB SER A 116 -20.817 0.730 -1.551 1.00 0.00 C ATOM 1698 OG SER A 116 -22.187 0.496 -1.274 1.00 0.00 O ATOM 0 H SER A 116 -18.585 -1.035 -3.137 1.00 0.00 H new ATOM 0 HA SER A 116 -19.830 -0.986 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 116 -20.376 1.320 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.723 1.316 -2.465 1.00 0.00 H new ATOM 0 HG SER A 116 -22.653 1.353 -1.180 1.00 0.00 H new