USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 761 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 83 SER OG : rot 180:sc= -0.989! USER MOD Set 1.2: A 88 THR OG1 : rot -84:sc= 0.506 USER MOD Set 2.1: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 36 SER OG : rot -85:sc= 0.425 USER MOD Set 3.2: A 38 SER OG : rot 180:sc= 0.38 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 33:sc= 0.433 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0835 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 10:sc= 0.741 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.888 USER MOD Single : A 27 SER OG : rot 170:sc= -0.284 USER MOD Single : A 30 CYS SG : rot -160:sc= 1.26 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 44 THR OG1 : rot 36:sc= 0.394 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.128 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.0091) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 61 GLN : amide:sc= -0.057 K(o=-0.057,f=-1.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 140:sc= -0.0129 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.934 25.755 -22.371 1.00 0.00 N ATOM 2 CA GLY A 1 5.683 24.331 -22.491 1.00 0.00 C ATOM 3 C GLY A 1 4.339 24.031 -23.124 1.00 0.00 C ATOM 4 O GLY A 1 4.218 23.986 -24.348 1.00 0.00 O ATOM 0 H1 GLY A 1 6.865 25.908 -21.933 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.920 26.191 -23.315 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.197 26.189 -21.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.472 23.875 -23.088 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.726 23.873 -21.503 1.00 0.00 H new ATOM 8 N SER A 2 3.326 23.823 -22.289 1.00 0.00 N ATOM 9 CA SER A 2 1.985 23.519 -22.774 1.00 0.00 C ATOM 10 C SER A 2 0.935 24.306 -21.996 1.00 0.00 C ATOM 11 O SER A 2 1.084 24.545 -20.798 1.00 0.00 O ATOM 12 CB SER A 2 1.704 22.020 -22.657 1.00 0.00 C ATOM 13 OG SER A 2 0.481 21.679 -23.286 1.00 0.00 O ATOM 0 H SER A 2 3.409 23.859 -21.273 1.00 0.00 H new ATOM 0 HA SER A 2 1.931 23.811 -23.823 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.519 21.458 -23.112 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.668 21.735 -21.606 1.00 0.00 H new ATOM 0 HG SER A 2 0.326 20.715 -23.198 1.00 0.00 H new ATOM 19 N SER A 3 -0.127 24.707 -22.688 1.00 0.00 N ATOM 20 CA SER A 3 -1.202 25.471 -22.064 1.00 0.00 C ATOM 21 C SER A 3 -1.559 24.891 -20.699 1.00 0.00 C ATOM 22 O SER A 3 -1.739 23.683 -20.553 1.00 0.00 O ATOM 23 CB SER A 3 -2.438 25.483 -22.966 1.00 0.00 C ATOM 24 OG SER A 3 -3.227 26.637 -22.734 1.00 0.00 O ATOM 0 H SER A 3 -0.266 24.516 -23.680 1.00 0.00 H new ATOM 0 HA SER A 3 -0.854 26.494 -21.924 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.130 25.453 -24.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.034 24.589 -22.784 1.00 0.00 H new ATOM 0 HG SER A 3 -4.010 26.622 -23.324 1.00 0.00 H new ATOM 30 N GLY A 4 -1.660 25.763 -19.700 1.00 0.00 N ATOM 31 CA GLY A 4 -1.996 25.320 -18.360 1.00 0.00 C ATOM 32 C GLY A 4 -1.241 26.084 -17.291 1.00 0.00 C ATOM 33 O GLY A 4 -0.433 26.961 -17.598 1.00 0.00 O ATOM 0 H GLY A 4 -1.515 26.768 -19.795 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.067 25.439 -18.199 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.776 24.257 -18.266 1.00 0.00 H new ATOM 37 N SER A 5 -1.504 25.753 -16.031 1.00 0.00 N ATOM 38 CA SER A 5 -0.848 26.418 -14.912 1.00 0.00 C ATOM 39 C SER A 5 -0.388 25.403 -13.870 1.00 0.00 C ATOM 40 O SER A 5 -0.895 24.283 -13.812 1.00 0.00 O ATOM 41 CB SER A 5 -1.794 27.434 -14.268 1.00 0.00 C ATOM 42 OG SER A 5 -2.052 28.517 -15.145 1.00 0.00 O ATOM 0 H SER A 5 -2.168 25.027 -15.760 1.00 0.00 H new ATOM 0 HA SER A 5 0.028 26.941 -15.296 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.732 26.945 -14.003 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.356 27.808 -13.342 1.00 0.00 H new ATOM 0 HG SER A 5 -2.660 29.151 -14.711 1.00 0.00 H new ATOM 48 N SER A 6 0.576 25.804 -13.047 1.00 0.00 N ATOM 49 CA SER A 6 1.107 24.929 -12.008 1.00 0.00 C ATOM 50 C SER A 6 1.733 25.744 -10.880 1.00 0.00 C ATOM 51 O SER A 6 2.395 26.752 -11.120 1.00 0.00 O ATOM 52 CB SER A 6 2.146 23.974 -12.599 1.00 0.00 C ATOM 53 OG SER A 6 1.534 22.788 -13.077 1.00 0.00 O ATOM 0 H SER A 6 1.005 26.729 -13.080 1.00 0.00 H new ATOM 0 HA SER A 6 0.281 24.348 -11.598 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.676 24.467 -13.414 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.888 23.724 -11.841 1.00 0.00 H new ATOM 0 HG SER A 6 0.636 22.995 -13.411 1.00 0.00 H new ATOM 59 N GLY A 7 1.518 25.297 -9.646 1.00 0.00 N ATOM 60 CA GLY A 7 2.066 25.994 -8.498 1.00 0.00 C ATOM 61 C GLY A 7 1.935 25.195 -7.217 1.00 0.00 C ATOM 62 O GLY A 7 2.855 25.166 -6.398 1.00 0.00 O ATOM 0 H GLY A 7 0.974 24.464 -9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.118 26.214 -8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.556 26.950 -8.380 1.00 0.00 H new ATOM 66 N HIS A 8 0.789 24.545 -7.041 1.00 0.00 N ATOM 67 CA HIS A 8 0.541 23.742 -5.849 1.00 0.00 C ATOM 68 C HIS A 8 1.305 22.424 -5.913 1.00 0.00 C ATOM 69 O HIS A 8 1.755 22.006 -6.980 1.00 0.00 O ATOM 70 CB HIS A 8 -0.956 23.470 -5.694 1.00 0.00 C ATOM 71 CG HIS A 8 -1.715 24.618 -5.104 1.00 0.00 C ATOM 72 ND1 HIS A 8 -2.014 25.765 -5.808 1.00 0.00 N ATOM 73 CD2 HIS A 8 -2.240 24.791 -3.868 1.00 0.00 C ATOM 74 CE1 HIS A 8 -2.687 26.594 -5.031 1.00 0.00 C ATOM 75 NE2 HIS A 8 -2.838 26.027 -3.848 1.00 0.00 N ATOM 0 H HIS A 8 0.018 24.559 -7.708 1.00 0.00 H new ATOM 0 HA HIS A 8 0.892 24.304 -4.983 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.377 23.231 -6.671 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.094 22.592 -5.064 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.197 24.087 -3.050 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.052 27.570 -5.315 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.320 26.440 -3.050 1.00 0.00 H new ATOM 84 N VAL A 9 1.450 21.772 -4.763 1.00 0.00 N ATOM 85 CA VAL A 9 2.160 20.501 -4.689 1.00 0.00 C ATOM 86 C VAL A 9 1.195 19.326 -4.789 1.00 0.00 C ATOM 87 O VAL A 9 0.126 19.333 -4.179 1.00 0.00 O ATOM 88 CB VAL A 9 2.963 20.382 -3.380 1.00 0.00 C ATOM 89 CG1 VAL A 9 3.492 18.967 -3.204 1.00 0.00 C ATOM 90 CG2 VAL A 9 4.101 21.392 -3.359 1.00 0.00 C ATOM 0 H VAL A 9 1.085 22.104 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 9 2.849 20.474 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 9 2.297 20.602 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.057 18.903 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.657 18.268 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.143 18.715 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.658 21.294 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.768 21.206 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.694 22.400 -3.434 1.00 0.00 H new ATOM 100 N GLY A 10 1.579 18.315 -5.562 1.00 0.00 N ATOM 101 CA GLY A 10 0.736 17.145 -5.728 1.00 0.00 C ATOM 102 C GLY A 10 1.535 15.892 -6.026 1.00 0.00 C ATOM 103 O GLY A 10 2.645 15.967 -6.554 1.00 0.00 O ATOM 0 H GLY A 10 2.459 18.285 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.150 16.992 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.029 17.323 -6.538 1.00 0.00 H new ATOM 107 N ILE A 11 0.972 14.738 -5.686 1.00 0.00 N ATOM 108 CA ILE A 11 1.640 13.463 -5.920 1.00 0.00 C ATOM 109 C ILE A 11 2.055 13.321 -7.381 1.00 0.00 C ATOM 110 O ILE A 11 1.295 13.655 -8.290 1.00 0.00 O ATOM 111 CB ILE A 11 0.737 12.276 -5.536 1.00 0.00 C ATOM 112 CG1 ILE A 11 0.284 12.402 -4.081 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.470 10.961 -5.757 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.006 11.670 -3.784 1.00 0.00 C ATOM 0 H ILE A 11 0.055 14.659 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 11 2.529 13.451 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.147 12.289 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.069 12.017 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.158 13.457 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.819 10.131 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.748 10.871 -6.807 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.369 10.938 -5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.266 11.803 -2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.804 12.071 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.879 10.608 -3.994 1.00 0.00 H new ATOM 126 N THR A 12 3.267 12.820 -7.600 1.00 0.00 N ATOM 127 CA THR A 12 3.784 12.632 -8.949 1.00 0.00 C ATOM 128 C THR A 12 3.882 11.151 -9.299 1.00 0.00 C ATOM 129 O THR A 12 3.839 10.775 -10.470 1.00 0.00 O ATOM 130 CB THR A 12 5.171 13.280 -9.115 1.00 0.00 C ATOM 131 OG1 THR A 12 5.641 13.095 -10.455 1.00 0.00 O ATOM 132 CG2 THR A 12 6.169 12.682 -8.135 1.00 0.00 C ATOM 0 H THR A 12 3.909 12.537 -6.859 1.00 0.00 H new ATOM 0 HA THR A 12 3.082 13.117 -9.627 1.00 0.00 H new ATOM 0 HB THR A 12 5.077 14.346 -8.907 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.523 13.511 -10.553 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.141 13.156 -8.271 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.823 12.851 -7.115 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.259 11.611 -8.315 1.00 0.00 H new ATOM 140 N LYS A 13 4.014 10.314 -8.275 1.00 0.00 N ATOM 141 CA LYS A 13 4.117 8.873 -8.473 1.00 0.00 C ATOM 142 C LYS A 13 2.910 8.155 -7.878 1.00 0.00 C ATOM 143 O LYS A 13 2.993 7.574 -6.796 1.00 0.00 O ATOM 144 CB LYS A 13 5.404 8.341 -7.839 1.00 0.00 C ATOM 145 CG LYS A 13 5.584 6.841 -7.994 1.00 0.00 C ATOM 146 CD LYS A 13 6.184 6.489 -9.345 1.00 0.00 C ATOM 147 CE LYS A 13 6.600 5.027 -9.406 1.00 0.00 C ATOM 148 NZ LYS A 13 5.488 4.153 -9.874 1.00 0.00 N ATOM 0 H LYS A 13 4.052 10.609 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 13 4.141 8.679 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.257 8.849 -8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.407 8.591 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.230 6.467 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.620 6.344 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.458 6.695 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.050 7.123 -9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.453 4.920 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.927 4.701 -8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.811 3.165 -9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.683 4.236 -9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.192 4.447 -10.827 1.00 0.00 H new ATOM 162 N ARG A 14 1.791 8.197 -8.594 1.00 0.00 N ATOM 163 CA ARG A 14 0.567 7.549 -8.136 1.00 0.00 C ATOM 164 C ARG A 14 0.801 6.064 -7.880 1.00 0.00 C ATOM 165 O ARG A 14 1.748 5.474 -8.403 1.00 0.00 O ATOM 166 CB ARG A 14 -0.547 7.730 -9.168 1.00 0.00 C ATOM 167 CG ARG A 14 -0.111 7.435 -10.594 1.00 0.00 C ATOM 168 CD ARG A 14 -1.301 7.362 -11.537 1.00 0.00 C ATOM 169 NE ARG A 14 -1.767 8.688 -11.934 1.00 0.00 N ATOM 170 CZ ARG A 14 -2.599 9.423 -11.205 1.00 0.00 C ATOM 171 NH1 ARG A 14 -3.054 8.964 -10.047 1.00 0.00 N ATOM 172 NH2 ARG A 14 -2.978 10.621 -11.633 1.00 0.00 N ATOM 0 H ARG A 14 1.706 8.672 -9.493 1.00 0.00 H new ATOM 0 HA ARG A 14 0.266 8.018 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.380 7.076 -8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.917 8.754 -9.115 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.576 8.210 -10.933 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.434 6.492 -10.621 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.025 6.794 -12.425 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.115 6.822 -11.053 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.435 9.070 -12.820 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.765 8.044 -9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.693 9.531 -9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.630 10.978 -12.523 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.617 11.184 -11.072 1.00 0.00 H new ATOM 186 N LEU A 15 -0.066 5.464 -7.071 1.00 0.00 N ATOM 187 CA LEU A 15 0.046 4.047 -6.744 1.00 0.00 C ATOM 188 C LEU A 15 -0.135 3.185 -7.989 1.00 0.00 C ATOM 189 O LEU A 15 -0.689 3.634 -8.993 1.00 0.00 O ATOM 190 CB LEU A 15 -0.992 3.663 -5.689 1.00 0.00 C ATOM 191 CG LEU A 15 -0.799 4.279 -4.302 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.975 3.940 -3.399 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.506 3.800 -3.683 1.00 0.00 C ATOM 0 H LEU A 15 -0.854 5.937 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 15 1.044 3.870 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.978 3.948 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.992 2.578 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.751 5.363 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.820 4.387 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.894 4.332 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.055 2.858 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.627 4.248 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.487 2.714 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.340 4.094 -4.320 1.00 0.00 H new ATOM 205 N LYS A 16 0.334 1.944 -7.917 1.00 0.00 N ATOM 206 CA LYS A 16 0.221 1.016 -9.036 1.00 0.00 C ATOM 207 C LYS A 16 -0.307 -0.336 -8.571 1.00 0.00 C ATOM 208 O LYS A 16 0.092 -0.844 -7.522 1.00 0.00 O ATOM 209 CB LYS A 16 1.581 0.838 -9.716 1.00 0.00 C ATOM 210 CG LYS A 16 2.571 0.031 -8.895 1.00 0.00 C ATOM 211 CD LYS A 16 4.006 0.401 -9.230 1.00 0.00 C ATOM 212 CE LYS A 16 4.460 -0.249 -10.528 1.00 0.00 C ATOM 213 NZ LYS A 16 5.874 0.089 -10.852 1.00 0.00 N ATOM 0 H LYS A 16 0.797 1.557 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.486 1.435 -9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.435 0.347 -10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.007 1.820 -9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.389 0.201 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.416 -1.032 -9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.094 1.484 -9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.662 0.090 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.354 -1.331 -10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.813 0.076 -11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.146 -0.373 -11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.970 1.120 -10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.495 -0.244 -10.087 1.00 0.00 H new ATOM 227 N THR A 17 -1.208 -0.917 -9.357 1.00 0.00 N ATOM 228 CA THR A 17 -1.791 -2.211 -9.026 1.00 0.00 C ATOM 229 C THR A 17 -0.711 -3.226 -8.669 1.00 0.00 C ATOM 230 O THR A 17 0.305 -3.332 -9.356 1.00 0.00 O ATOM 231 CB THR A 17 -2.633 -2.763 -10.191 1.00 0.00 C ATOM 232 OG1 THR A 17 -3.710 -1.866 -10.486 1.00 0.00 O ATOM 233 CG2 THR A 17 -3.190 -4.138 -9.853 1.00 0.00 C ATOM 0 H THR A 17 -1.550 -0.511 -10.228 1.00 0.00 H new ATOM 0 HA THR A 17 -2.438 -2.054 -8.163 1.00 0.00 H new ATOM 0 HB THR A 17 -1.987 -2.855 -11.064 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.239 -2.224 -11.229 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.781 -4.507 -10.691 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.367 -4.826 -9.658 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.821 -4.067 -8.967 1.00 0.00 H new ATOM 241 N MET A 18 -0.937 -3.970 -7.592 1.00 0.00 N ATOM 242 CA MET A 18 0.018 -4.978 -7.145 1.00 0.00 C ATOM 243 C MET A 18 -0.505 -6.384 -7.426 1.00 0.00 C ATOM 244 O MET A 18 -1.698 -6.577 -7.654 1.00 0.00 O ATOM 245 CB MET A 18 0.303 -4.816 -5.651 1.00 0.00 C ATOM 246 CG MET A 18 1.468 -5.659 -5.160 1.00 0.00 C ATOM 247 SD MET A 18 2.976 -5.382 -6.110 1.00 0.00 S ATOM 248 CE MET A 18 4.020 -4.617 -4.872 1.00 0.00 C ATOM 0 H MET A 18 -1.773 -3.894 -7.012 1.00 0.00 H new ATOM 0 HA MET A 18 0.945 -4.836 -7.701 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.510 -3.767 -5.441 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.591 -5.083 -5.088 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.658 -5.433 -4.111 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.197 -6.713 -5.215 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.992 -4.385 -5.308 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.552 -3.698 -4.519 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.152 -5.302 -4.034 1.00 0.00 H new ATOM 258 N GLU A 19 0.397 -7.361 -7.407 1.00 0.00 N ATOM 259 CA GLU A 19 0.025 -8.747 -7.660 1.00 0.00 C ATOM 260 C GLU A 19 1.005 -9.705 -6.989 1.00 0.00 C ATOM 261 O GLU A 19 2.178 -9.771 -7.359 1.00 0.00 O ATOM 262 CB GLU A 19 -0.022 -9.019 -9.165 1.00 0.00 C ATOM 263 CG GLU A 19 -0.630 -10.365 -9.522 1.00 0.00 C ATOM 264 CD GLU A 19 0.401 -11.475 -9.582 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.061 -11.728 -8.553 1.00 0.00 O ATOM 266 OE2 GLU A 19 0.548 -12.090 -10.659 1.00 0.00 O ATOM 0 H GLU A 19 1.389 -7.218 -7.219 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.966 -8.913 -7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.597 -8.230 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.990 -8.969 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.392 -10.622 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.132 -10.288 -10.487 1.00 0.00 H new ATOM 273 N VAL A 20 0.516 -10.447 -6.000 1.00 0.00 N ATOM 274 CA VAL A 20 1.348 -11.401 -5.277 1.00 0.00 C ATOM 275 C VAL A 20 0.541 -12.624 -4.856 1.00 0.00 C ATOM 276 O VAL A 20 -0.691 -12.610 -4.886 1.00 0.00 O ATOM 277 CB VAL A 20 1.980 -10.761 -4.028 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.716 -9.482 -4.397 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.918 -10.489 -2.973 1.00 0.00 C ATOM 0 H VAL A 20 -0.452 -10.405 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 20 2.141 -11.709 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 20 2.704 -11.461 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.156 -9.044 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.504 -9.710 -5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.016 -8.774 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.383 -10.037 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.169 -9.809 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.441 -11.426 -2.687 1.00 0.00 H new ATOM 289 N LEU A 21 1.242 -13.681 -4.461 1.00 0.00 N ATOM 290 CA LEU A 21 0.591 -14.914 -4.032 1.00 0.00 C ATOM 291 C LEU A 21 0.269 -14.869 -2.541 1.00 0.00 C ATOM 292 O LEU A 21 1.012 -14.283 -1.754 1.00 0.00 O ATOM 293 CB LEU A 21 1.483 -16.118 -4.337 1.00 0.00 C ATOM 294 CG LEU A 21 0.760 -17.436 -4.619 1.00 0.00 C ATOM 295 CD1 LEU A 21 0.295 -18.078 -3.321 1.00 0.00 C ATOM 296 CD2 LEU A 21 -0.419 -17.207 -5.554 1.00 0.00 C ATOM 0 H LEU A 21 2.261 -13.709 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.344 -15.014 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.104 -15.876 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.156 -16.269 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 21 1.459 -18.115 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.217 -19.015 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.157 -18.277 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.389 -17.403 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.922 -18.155 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.119 -16.511 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.061 -16.791 -6.496 1.00 0.00 H new ATOM 308 N GLU A 22 -0.840 -15.495 -2.161 1.00 0.00 N ATOM 309 CA GLU A 22 -1.258 -15.527 -0.764 1.00 0.00 C ATOM 310 C GLU A 22 -0.156 -16.104 0.120 1.00 0.00 C ATOM 311 O GLU A 22 0.405 -17.158 -0.177 1.00 0.00 O ATOM 312 CB GLU A 22 -2.536 -16.354 -0.610 1.00 0.00 C ATOM 313 CG GLU A 22 -3.049 -16.422 0.818 1.00 0.00 C ATOM 314 CD GLU A 22 -4.221 -17.372 0.974 1.00 0.00 C ATOM 315 OE1 GLU A 22 -4.419 -18.221 0.080 1.00 0.00 O ATOM 316 OE2 GLU A 22 -4.939 -17.265 1.989 1.00 0.00 O ATOM 0 H GLU A 22 -1.465 -15.987 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.456 -14.503 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.312 -15.929 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.349 -17.366 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.240 -16.739 1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.349 -15.425 1.140 1.00 0.00 H new ATOM 323 N GLY A 23 0.148 -15.404 1.208 1.00 0.00 N ATOM 324 CA GLY A 23 1.182 -15.860 2.119 1.00 0.00 C ATOM 325 C GLY A 23 2.446 -15.029 2.026 1.00 0.00 C ATOM 326 O GLY A 23 3.151 -14.847 3.017 1.00 0.00 O ATOM 0 H GLY A 23 -0.303 -14.529 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.803 -15.825 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.419 -16.902 1.902 1.00 0.00 H new ATOM 330 N GLU A 24 2.733 -14.524 0.830 1.00 0.00 N ATOM 331 CA GLU A 24 3.923 -13.709 0.611 1.00 0.00 C ATOM 332 C GLU A 24 3.761 -12.330 1.243 1.00 0.00 C ATOM 333 O GLU A 24 2.769 -12.057 1.918 1.00 0.00 O ATOM 334 CB GLU A 24 4.202 -13.567 -0.887 1.00 0.00 C ATOM 335 CG GLU A 24 4.397 -14.894 -1.599 1.00 0.00 C ATOM 336 CD GLU A 24 5.842 -15.354 -1.591 1.00 0.00 C ATOM 337 OE1 GLU A 24 6.726 -14.533 -1.915 1.00 0.00 O ATOM 338 OE2 GLU A 24 6.089 -16.533 -1.263 1.00 0.00 O ATOM 0 H GLU A 24 2.159 -14.665 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 24 4.768 -14.209 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.374 -13.033 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.094 -12.956 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.776 -15.652 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.054 -14.803 -2.630 1.00 0.00 H new ATOM 345 N SER A 25 4.745 -11.465 1.020 1.00 0.00 N ATOM 346 CA SER A 25 4.715 -10.115 1.571 1.00 0.00 C ATOM 347 C SER A 25 4.855 -9.073 0.465 1.00 0.00 C ATOM 348 O SER A 25 5.834 -9.073 -0.282 1.00 0.00 O ATOM 349 CB SER A 25 5.834 -9.936 2.600 1.00 0.00 C ATOM 350 OG SER A 25 7.092 -9.787 1.964 1.00 0.00 O ATOM 0 H SER A 25 5.573 -11.675 0.462 1.00 0.00 H new ATOM 0 HA SER A 25 3.753 -9.971 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.629 -9.061 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.860 -10.797 3.267 1.00 0.00 H new ATOM 0 HG SER A 25 6.960 -9.679 0.999 1.00 0.00 H new ATOM 356 N CYS A 26 3.870 -8.188 0.367 1.00 0.00 N ATOM 357 CA CYS A 26 3.881 -7.141 -0.648 1.00 0.00 C ATOM 358 C CYS A 26 3.898 -5.759 -0.003 1.00 0.00 C ATOM 359 O CYS A 26 3.223 -5.522 0.999 1.00 0.00 O ATOM 360 CB CYS A 26 2.663 -7.275 -1.563 1.00 0.00 C ATOM 361 SG CYS A 26 1.084 -6.955 -0.741 1.00 0.00 S ATOM 0 H CYS A 26 3.053 -8.174 0.978 1.00 0.00 H new ATOM 0 HA CYS A 26 4.787 -7.256 -1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.772 -6.584 -2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.645 -8.281 -1.982 1.00 0.00 H new ATOM 0 HG CYS A 26 0.114 -7.090 -1.596 1.00 0.00 H new ATOM 367 N SER A 27 4.675 -4.850 -0.584 1.00 0.00 N ATOM 368 CA SER A 27 4.785 -3.493 -0.062 1.00 0.00 C ATOM 369 C SER A 27 4.624 -2.467 -1.180 1.00 0.00 C ATOM 370 O SER A 27 5.404 -2.442 -2.132 1.00 0.00 O ATOM 371 CB SER A 27 6.134 -3.298 0.634 1.00 0.00 C ATOM 372 OG SER A 27 6.273 -4.182 1.732 1.00 0.00 O ATOM 0 H SER A 27 5.237 -5.029 -1.416 1.00 0.00 H new ATOM 0 HA SER A 27 3.986 -3.344 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.942 -3.467 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.223 -2.268 0.979 1.00 0.00 H new ATOM 0 HG SER A 27 7.196 -4.154 2.059 1.00 0.00 H new ATOM 378 N PHE A 28 3.606 -1.622 -1.057 1.00 0.00 N ATOM 379 CA PHE A 28 3.341 -0.593 -2.056 1.00 0.00 C ATOM 380 C PHE A 28 4.354 0.542 -1.951 1.00 0.00 C ATOM 381 O PHE A 28 5.254 0.508 -1.112 1.00 0.00 O ATOM 382 CB PHE A 28 1.923 -0.044 -1.890 1.00 0.00 C ATOM 383 CG PHE A 28 0.861 -0.941 -2.459 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.314 -1.960 -1.696 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.411 -0.766 -3.758 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.662 -2.787 -2.219 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.566 -1.590 -4.285 1.00 0.00 C ATOM 388 CZ PHE A 28 -1.103 -2.601 -3.514 1.00 0.00 C ATOM 0 H PHE A 28 2.951 -1.629 -0.275 1.00 0.00 H new ATOM 0 HA PHE A 28 3.434 -1.048 -3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.725 0.113 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.861 0.931 -2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.654 -2.110 -0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.828 0.023 -4.366 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.080 -3.579 -1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.909 -1.443 -5.299 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.867 -3.246 -3.923 1.00 0.00 H new ATOM 398 N GLU A 29 4.200 1.547 -2.807 1.00 0.00 N ATOM 399 CA GLU A 29 5.102 2.693 -2.811 1.00 0.00 C ATOM 400 C GLU A 29 4.392 3.943 -3.322 1.00 0.00 C ATOM 401 O GLU A 29 3.629 3.885 -4.287 1.00 0.00 O ATOM 402 CB GLU A 29 6.330 2.400 -3.676 1.00 0.00 C ATOM 403 CG GLU A 29 7.123 1.188 -3.217 1.00 0.00 C ATOM 404 CD GLU A 29 8.274 0.858 -4.147 1.00 0.00 C ATOM 405 OE1 GLU A 29 9.074 1.768 -4.448 1.00 0.00 O ATOM 406 OE2 GLU A 29 8.375 -0.312 -4.573 1.00 0.00 O ATOM 0 H GLU A 29 3.459 1.591 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 29 5.424 2.874 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.010 2.245 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.983 3.273 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.511 1.371 -2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.457 0.327 -3.149 1.00 0.00 H new ATOM 413 N CYS A 30 4.649 5.071 -2.669 1.00 0.00 N ATOM 414 CA CYS A 30 4.034 6.335 -3.056 1.00 0.00 C ATOM 415 C CYS A 30 4.992 7.499 -2.824 1.00 0.00 C ATOM 416 O CYS A 30 5.434 7.739 -1.700 1.00 0.00 O ATOM 417 CB CYS A 30 2.741 6.559 -2.271 1.00 0.00 C ATOM 418 SG CYS A 30 1.705 7.892 -2.918 1.00 0.00 S ATOM 0 H CYS A 30 5.279 5.136 -1.869 1.00 0.00 H new ATOM 0 HA CYS A 30 3.801 6.286 -4.120 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.165 5.634 -2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.992 6.780 -1.234 1.00 0.00 H new ATOM 0 HG CYS A 30 0.887 8.295 -1.991 1.00 0.00 H new ATOM 424 N VAL A 31 5.311 8.219 -3.895 1.00 0.00 N ATOM 425 CA VAL A 31 6.217 9.358 -3.808 1.00 0.00 C ATOM 426 C VAL A 31 5.543 10.635 -4.296 1.00 0.00 C ATOM 427 O VAL A 31 4.550 10.588 -5.024 1.00 0.00 O ATOM 428 CB VAL A 31 7.498 9.120 -4.631 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.594 10.083 -4.202 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.959 7.677 -4.492 1.00 0.00 C ATOM 0 H VAL A 31 4.955 8.034 -4.833 1.00 0.00 H new ATOM 0 HA VAL A 31 6.484 9.470 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 31 7.275 9.306 -5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.491 9.900 -4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.259 11.108 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.819 9.931 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.865 7.526 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.166 7.461 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.177 7.009 -4.853 1.00 0.00 H new ATOM 440 N LEU A 32 6.089 11.777 -3.893 1.00 0.00 N ATOM 441 CA LEU A 32 5.541 13.070 -4.289 1.00 0.00 C ATOM 442 C LEU A 32 6.628 13.967 -4.871 1.00 0.00 C ATOM 443 O LEU A 32 7.819 13.704 -4.703 1.00 0.00 O ATOM 444 CB LEU A 32 4.883 13.756 -3.091 1.00 0.00 C ATOM 445 CG LEU A 32 3.900 12.906 -2.286 1.00 0.00 C ATOM 446 CD1 LEU A 32 4.625 12.156 -1.179 1.00 0.00 C ATOM 447 CD2 LEU A 32 2.792 13.774 -1.708 1.00 0.00 C ATOM 0 H LEU A 32 6.911 11.834 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 32 4.788 12.898 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.669 14.101 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.358 14.642 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 32 3.448 12.175 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.909 11.556 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.381 11.504 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.105 12.870 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.102 13.152 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.226 14.529 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.253 14.264 -2.519 1.00 0.00 H new ATOM 459 N SER A 33 6.210 15.029 -5.553 1.00 0.00 N ATOM 460 CA SER A 33 7.149 15.965 -6.160 1.00 0.00 C ATOM 461 C SER A 33 8.030 16.617 -5.099 1.00 0.00 C ATOM 462 O SER A 33 9.253 16.663 -5.232 1.00 0.00 O ATOM 463 CB SER A 33 6.394 17.040 -6.944 1.00 0.00 C ATOM 464 OG SER A 33 7.246 18.123 -7.274 1.00 0.00 O ATOM 0 H SER A 33 5.228 15.262 -5.699 1.00 0.00 H new ATOM 0 HA SER A 33 7.788 15.407 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.981 16.607 -7.855 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.553 17.402 -6.353 1.00 0.00 H new ATOM 0 HG SER A 33 6.740 18.796 -7.776 1.00 0.00 H new ATOM 470 N HIS A 34 7.398 17.122 -4.043 1.00 0.00 N ATOM 471 CA HIS A 34 8.123 17.772 -2.957 1.00 0.00 C ATOM 472 C HIS A 34 7.762 17.147 -1.613 1.00 0.00 C ATOM 473 O HIS A 34 6.673 16.601 -1.445 1.00 0.00 O ATOM 474 CB HIS A 34 7.816 19.269 -2.935 1.00 0.00 C ATOM 475 CG HIS A 34 8.859 20.084 -2.234 1.00 0.00 C ATOM 476 ND1 HIS A 34 8.554 21.123 -1.380 1.00 0.00 N ATOM 477 CD2 HIS A 34 10.210 20.007 -2.261 1.00 0.00 C ATOM 478 CE1 HIS A 34 9.672 21.651 -0.915 1.00 0.00 C ATOM 479 NE2 HIS A 34 10.692 20.991 -1.434 1.00 0.00 N ATOM 0 H HIS A 34 6.386 17.093 -3.917 1.00 0.00 H new ATOM 0 HA HIS A 34 9.190 17.630 -3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.716 19.626 -3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.854 19.427 -2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.800 19.302 -2.828 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.741 22.481 -0.227 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.677 21.182 -1.250 1.00 0.00 H new ATOM 488 N GLU A 35 8.685 17.231 -0.660 1.00 0.00 N ATOM 489 CA GLU A 35 8.464 16.672 0.669 1.00 0.00 C ATOM 490 C GLU A 35 7.660 17.635 1.537 1.00 0.00 C ATOM 491 O GLU A 35 7.921 18.838 1.554 1.00 0.00 O ATOM 492 CB GLU A 35 9.801 16.355 1.342 1.00 0.00 C ATOM 493 CG GLU A 35 9.656 15.631 2.671 1.00 0.00 C ATOM 494 CD GLU A 35 10.987 15.168 3.230 1.00 0.00 C ATOM 495 OE1 GLU A 35 11.429 14.057 2.870 1.00 0.00 O ATOM 496 OE2 GLU A 35 11.588 15.918 4.029 1.00 0.00 O ATOM 0 H GLU A 35 9.592 17.680 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 35 7.894 15.749 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.402 15.744 0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.347 17.285 1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.174 16.293 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.001 14.770 2.542 1.00 0.00 H new ATOM 503 N SER A 36 6.681 17.097 2.257 1.00 0.00 N ATOM 504 CA SER A 36 5.835 17.908 3.125 1.00 0.00 C ATOM 505 C SER A 36 6.230 17.731 4.588 1.00 0.00 C ATOM 506 O SER A 36 6.374 18.706 5.326 1.00 0.00 O ATOM 507 CB SER A 36 4.364 17.535 2.933 1.00 0.00 C ATOM 508 OG SER A 36 3.518 18.638 3.208 1.00 0.00 O ATOM 0 H SER A 36 6.454 16.103 2.257 1.00 0.00 H new ATOM 0 HA SER A 36 5.975 18.954 2.853 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.202 17.195 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.108 16.704 3.590 1.00 0.00 H new ATOM 0 HG SER A 36 3.335 18.678 4.170 1.00 0.00 H new ATOM 514 N ALA A 37 6.402 16.480 5.001 1.00 0.00 N ATOM 515 CA ALA A 37 6.782 16.173 6.374 1.00 0.00 C ATOM 516 C ALA A 37 6.070 17.095 7.359 1.00 0.00 C ATOM 517 O ALA A 37 6.653 17.524 8.355 1.00 0.00 O ATOM 518 CB ALA A 37 8.290 16.282 6.542 1.00 0.00 C ATOM 0 H ALA A 37 6.284 15.662 4.403 1.00 0.00 H new ATOM 0 HA ALA A 37 6.477 15.149 6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.559 16.050 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.783 15.578 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.610 17.296 6.303 1.00 0.00 H new ATOM 524 N SER A 38 4.808 17.397 7.073 1.00 0.00 N ATOM 525 CA SER A 38 4.018 18.273 7.932 1.00 0.00 C ATOM 526 C SER A 38 2.818 17.529 8.509 1.00 0.00 C ATOM 527 O SER A 38 2.510 17.651 9.695 1.00 0.00 O ATOM 528 CB SER A 38 3.544 19.498 7.148 1.00 0.00 C ATOM 529 OG SER A 38 2.715 19.121 6.063 1.00 0.00 O ATOM 0 H SER A 38 4.310 17.049 6.254 1.00 0.00 H new ATOM 0 HA SER A 38 4.651 18.601 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.997 20.169 7.811 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.406 20.051 6.776 1.00 0.00 H new ATOM 0 HG SER A 38 2.425 19.922 5.579 1.00 0.00 H new ATOM 535 N ASP A 39 2.144 16.758 7.663 1.00 0.00 N ATOM 536 CA ASP A 39 0.978 15.993 8.087 1.00 0.00 C ATOM 537 C ASP A 39 1.245 14.494 7.985 1.00 0.00 C ATOM 538 O ASP A 39 2.085 14.040 7.208 1.00 0.00 O ATOM 539 CB ASP A 39 -0.240 16.366 7.240 1.00 0.00 C ATOM 540 CG ASP A 39 -0.771 17.748 7.568 1.00 0.00 C ATOM 541 OD1 ASP A 39 -1.291 17.933 8.688 1.00 0.00 O ATOM 542 OD2 ASP A 39 -0.666 18.643 6.704 1.00 0.00 O ATOM 0 H ASP A 39 2.386 16.646 6.678 1.00 0.00 H new ATOM 0 HA ASP A 39 0.774 16.237 9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.028 16.324 6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.028 15.630 7.398 1.00 0.00 H new ATOM 547 N PRO A 40 0.514 13.707 8.788 1.00 0.00 N ATOM 548 CA PRO A 40 0.655 12.248 8.807 1.00 0.00 C ATOM 549 C PRO A 40 0.130 11.599 7.531 1.00 0.00 C ATOM 550 O PRO A 40 -0.247 12.287 6.583 1.00 0.00 O ATOM 551 CB PRO A 40 -0.194 11.825 10.009 1.00 0.00 C ATOM 552 CG PRO A 40 -1.197 12.915 10.167 1.00 0.00 C ATOM 553 CD PRO A 40 -0.505 14.180 9.740 1.00 0.00 C ATOM 0 HA PRO A 40 1.698 11.940 8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.678 10.864 9.833 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.416 11.715 10.906 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.078 12.726 9.554 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.537 12.986 11.200 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.198 14.879 9.272 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.054 14.697 10.587 1.00 0.00 H new ATOM 561 N ALA A 41 0.109 10.270 7.513 1.00 0.00 N ATOM 562 CA ALA A 41 -0.372 9.528 6.354 1.00 0.00 C ATOM 563 C ALA A 41 -1.629 8.735 6.693 1.00 0.00 C ATOM 564 O ALA A 41 -2.016 8.634 7.857 1.00 0.00 O ATOM 565 CB ALA A 41 0.716 8.601 5.833 1.00 0.00 C ATOM 0 H ALA A 41 0.420 9.685 8.289 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.627 10.245 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.343 8.053 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.587 9.189 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.998 7.896 6.615 1.00 0.00 H new ATOM 571 N MET A 42 -2.263 8.173 5.669 1.00 0.00 N ATOM 572 CA MET A 42 -3.477 7.387 5.860 1.00 0.00 C ATOM 573 C MET A 42 -3.584 6.289 4.807 1.00 0.00 C ATOM 574 O MET A 42 -3.804 6.566 3.628 1.00 0.00 O ATOM 575 CB MET A 42 -4.709 8.291 5.798 1.00 0.00 C ATOM 576 CG MET A 42 -5.888 7.767 6.603 1.00 0.00 C ATOM 577 SD MET A 42 -7.220 8.973 6.751 1.00 0.00 S ATOM 578 CE MET A 42 -8.623 7.995 6.220 1.00 0.00 C ATOM 0 H MET A 42 -1.957 8.247 4.699 1.00 0.00 H new ATOM 0 HA MET A 42 -3.427 6.919 6.843 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.441 9.282 6.164 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.013 8.407 4.758 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.272 6.863 6.130 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.546 7.485 7.599 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.526 8.604 6.257 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.460 7.649 5.199 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.738 7.136 6.880 1.00 0.00 H new ATOM 588 N TRP A 43 -3.427 5.043 5.240 1.00 0.00 N ATOM 589 CA TRP A 43 -3.507 3.903 4.334 1.00 0.00 C ATOM 590 C TRP A 43 -4.709 3.026 4.666 1.00 0.00 C ATOM 591 O TRP A 43 -4.935 2.679 5.826 1.00 0.00 O ATOM 592 CB TRP A 43 -2.221 3.077 4.406 1.00 0.00 C ATOM 593 CG TRP A 43 -1.034 3.772 3.810 1.00 0.00 C ATOM 594 CD1 TRP A 43 -0.181 4.628 4.446 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.571 3.671 2.459 1.00 0.00 C ATOM 596 NE1 TRP A 43 0.784 5.065 3.572 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.568 4.492 2.347 1.00 0.00 C ATOM 598 CE3 TRP A 43 -1.007 2.965 1.334 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.273 4.626 1.154 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.305 3.099 0.151 1.00 0.00 C ATOM 601 CH2 TRP A 43 0.825 3.923 0.069 1.00 0.00 C ATOM 0 H TRP A 43 -3.244 4.797 6.213 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.629 4.284 3.320 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.008 2.839 5.448 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.376 2.130 3.889 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.254 4.919 5.484 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.539 5.712 3.799 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.876 2.327 1.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.143 5.262 1.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.633 2.559 -0.725 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.353 4.005 -0.869 1.00 0.00 H new ATOM 612 N THR A 44 -5.477 2.670 3.642 1.00 0.00 N ATOM 613 CA THR A 44 -6.657 1.834 3.826 1.00 0.00 C ATOM 614 C THR A 44 -6.775 0.798 2.714 1.00 0.00 C ATOM 615 O THR A 44 -7.097 1.130 1.573 1.00 0.00 O ATOM 616 CB THR A 44 -7.944 2.679 3.864 1.00 0.00 C ATOM 617 OG1 THR A 44 -8.028 3.497 2.692 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.978 3.557 5.105 1.00 0.00 C ATOM 0 H THR A 44 -5.303 2.948 2.676 1.00 0.00 H new ATOM 0 HA THR A 44 -6.538 1.325 4.782 1.00 0.00 H new ATOM 0 HB THR A 44 -8.797 2.001 3.895 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.666 3.007 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.896 4.145 5.110 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.944 2.930 5.996 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.118 4.227 5.100 1.00 0.00 H new ATOM 626 N VAL A 45 -6.515 -0.461 3.054 1.00 0.00 N ATOM 627 CA VAL A 45 -6.594 -1.547 2.084 1.00 0.00 C ATOM 628 C VAL A 45 -7.857 -2.375 2.289 1.00 0.00 C ATOM 629 O VAL A 45 -7.871 -3.320 3.077 1.00 0.00 O ATOM 630 CB VAL A 45 -5.366 -2.472 2.175 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.197 -2.997 3.593 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.488 -3.619 1.184 1.00 0.00 C ATOM 0 H VAL A 45 -6.248 -0.754 3.994 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.620 -1.088 1.096 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.478 -1.894 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.324 -3.649 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.060 -2.160 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.085 -3.559 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.612 -4.262 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.384 -4.198 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.556 -3.220 0.172 1.00 0.00 H new ATOM 642 N GLY A 46 -8.918 -2.015 1.573 1.00 0.00 N ATOM 643 CA GLY A 46 -10.172 -2.736 1.691 1.00 0.00 C ATOM 644 C GLY A 46 -10.400 -3.278 3.087 1.00 0.00 C ATOM 645 O GLY A 46 -10.093 -4.436 3.369 1.00 0.00 O ATOM 0 H GLY A 46 -8.931 -1.237 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.995 -2.073 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.182 -3.561 0.978 1.00 0.00 H new ATOM 649 N GLY A 47 -10.940 -2.439 3.966 1.00 0.00 N ATOM 650 CA GLY A 47 -11.198 -2.859 5.331 1.00 0.00 C ATOM 651 C GLY A 47 -11.216 -1.696 6.302 1.00 0.00 C ATOM 652 O GLY A 47 -12.237 -1.416 6.930 1.00 0.00 O ATOM 0 H GLY A 47 -11.203 -1.476 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.155 -3.378 5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.434 -3.573 5.639 1.00 0.00 H new ATOM 656 N LYS A 48 -10.082 -1.015 6.428 1.00 0.00 N ATOM 657 CA LYS A 48 -9.969 0.125 7.330 1.00 0.00 C ATOM 658 C LYS A 48 -8.604 0.791 7.198 1.00 0.00 C ATOM 659 O LYS A 48 -7.797 0.416 6.346 1.00 0.00 O ATOM 660 CB LYS A 48 -10.194 -0.319 8.777 1.00 0.00 C ATOM 661 CG LYS A 48 -9.362 -1.524 9.180 1.00 0.00 C ATOM 662 CD LYS A 48 -10.065 -2.358 10.238 1.00 0.00 C ATOM 663 CE LYS A 48 -9.079 -3.216 11.016 1.00 0.00 C ATOM 664 NZ LYS A 48 -8.578 -4.360 10.205 1.00 0.00 N ATOM 0 H LYS A 48 -9.227 -1.233 5.916 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.735 0.850 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.962 0.512 9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.249 -0.554 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.163 -2.140 8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.397 -1.190 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.599 -1.702 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.810 -2.997 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.237 -2.602 11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.560 -3.594 11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.909 -4.920 10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.378 -4.960 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.097 -4.000 9.356 1.00 0.00 H new ATOM 678 N THR A 49 -8.348 1.782 8.047 1.00 0.00 N ATOM 679 CA THR A 49 -7.080 2.500 8.025 1.00 0.00 C ATOM 680 C THR A 49 -5.984 1.701 8.722 1.00 0.00 C ATOM 681 O THR A 49 -5.960 1.600 9.948 1.00 0.00 O ATOM 682 CB THR A 49 -7.203 3.878 8.701 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.262 4.628 8.095 1.00 0.00 O ATOM 684 CG2 THR A 49 -5.899 4.654 8.590 1.00 0.00 C ATOM 0 H THR A 49 -9.003 2.105 8.759 1.00 0.00 H new ATOM 0 HA THR A 49 -6.814 2.640 6.977 1.00 0.00 H new ATOM 0 HB THR A 49 -7.426 3.721 9.756 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.335 5.502 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.010 5.624 9.075 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.100 4.095 9.077 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.651 4.800 7.539 1.00 0.00 H new ATOM 692 N VAL A 50 -5.077 1.135 7.932 1.00 0.00 N ATOM 693 CA VAL A 50 -3.977 0.347 8.473 1.00 0.00 C ATOM 694 C VAL A 50 -2.727 1.200 8.655 1.00 0.00 C ATOM 695 O VAL A 50 -2.648 2.320 8.152 1.00 0.00 O ATOM 696 CB VAL A 50 -3.641 -0.849 7.561 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.876 -1.706 7.328 1.00 0.00 C ATOM 698 CG2 VAL A 50 -3.061 -0.364 6.241 1.00 0.00 C ATOM 0 H VAL A 50 -5.083 1.208 6.915 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.303 -0.026 9.444 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.890 -1.464 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.620 -2.546 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.243 -2.082 8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.651 -1.105 6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.829 -1.221 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.787 0.273 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.150 0.204 6.431 1.00 0.00 H new ATOM 708 N GLY A 51 -1.749 0.662 9.378 1.00 0.00 N ATOM 709 CA GLY A 51 -0.515 1.387 9.614 1.00 0.00 C ATOM 710 C GLY A 51 0.064 1.116 10.988 1.00 0.00 C ATOM 711 O GLY A 51 1.272 0.933 11.135 1.00 0.00 O ATOM 0 H GLY A 51 -1.790 -0.264 9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.216 1.110 8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.699 2.456 9.505 1.00 0.00 H new ATOM 715 N SER A 52 -0.800 1.092 11.998 1.00 0.00 N ATOM 716 CA SER A 52 -0.367 0.847 13.369 1.00 0.00 C ATOM 717 C SER A 52 -0.355 -0.648 13.676 1.00 0.00 C ATOM 718 O SER A 52 0.614 -1.173 14.222 1.00 0.00 O ATOM 719 CB SER A 52 -1.284 1.574 14.354 1.00 0.00 C ATOM 720 OG SER A 52 -0.612 1.847 15.571 1.00 0.00 O ATOM 0 H SER A 52 -1.804 1.239 11.893 1.00 0.00 H new ATOM 0 HA SER A 52 0.647 1.231 13.477 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.633 2.507 13.910 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.167 0.965 14.551 1.00 0.00 H new ATOM 0 HG SER A 52 -1.219 2.313 16.183 1.00 0.00 H new ATOM 726 N SER A 53 -1.441 -1.327 13.320 1.00 0.00 N ATOM 727 CA SER A 53 -1.559 -2.761 13.560 1.00 0.00 C ATOM 728 C SER A 53 -0.222 -3.460 13.337 1.00 0.00 C ATOM 729 O SER A 53 0.607 -3.003 12.551 1.00 0.00 O ATOM 730 CB SER A 53 -2.624 -3.367 12.644 1.00 0.00 C ATOM 731 OG SER A 53 -2.272 -3.209 11.280 1.00 0.00 O ATOM 0 H SER A 53 -2.252 -0.907 12.865 1.00 0.00 H new ATOM 0 HA SER A 53 -1.857 -2.908 14.598 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.744 -4.426 12.872 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.585 -2.889 12.833 1.00 0.00 H new ATOM 0 HG SER A 53 -2.967 -3.606 10.715 1.00 0.00 H new ATOM 737 N SER A 54 -0.019 -4.573 14.037 1.00 0.00 N ATOM 738 CA SER A 54 1.218 -5.335 13.919 1.00 0.00 C ATOM 739 C SER A 54 1.395 -5.869 12.501 1.00 0.00 C ATOM 740 O SER A 54 2.483 -5.795 11.930 1.00 0.00 O ATOM 741 CB SER A 54 1.224 -6.494 14.917 1.00 0.00 C ATOM 742 OG SER A 54 1.145 -6.020 16.250 1.00 0.00 O ATOM 0 H SER A 54 -0.696 -4.966 14.691 1.00 0.00 H new ATOM 0 HA SER A 54 2.050 -4.667 14.143 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.384 -7.158 14.713 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.133 -7.082 14.790 1.00 0.00 H new ATOM 0 HG SER A 54 1.149 -6.780 16.868 1.00 0.00 H new ATOM 748 N ARG A 55 0.317 -6.407 11.939 1.00 0.00 N ATOM 749 CA ARG A 55 0.352 -6.955 10.589 1.00 0.00 C ATOM 750 C ARG A 55 0.788 -5.893 9.583 1.00 0.00 C ATOM 751 O ARG A 55 1.857 -5.994 8.981 1.00 0.00 O ATOM 752 CB ARG A 55 -1.022 -7.505 10.203 1.00 0.00 C ATOM 753 CG ARG A 55 -1.284 -8.909 10.724 1.00 0.00 C ATOM 754 CD ARG A 55 -2.724 -9.332 10.484 1.00 0.00 C ATOM 755 NE ARG A 55 -3.651 -8.658 11.390 1.00 0.00 N ATOM 756 CZ ARG A 55 -4.854 -9.130 11.695 1.00 0.00 C ATOM 757 NH1 ARG A 55 -5.275 -10.272 11.170 1.00 0.00 N ATOM 758 NH2 ARG A 55 -5.640 -8.458 12.527 1.00 0.00 N ATOM 0 H ARG A 55 -0.591 -6.475 12.398 1.00 0.00 H new ATOM 0 HA ARG A 55 1.078 -7.767 10.572 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.793 -6.835 10.585 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.111 -7.507 9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.611 -9.612 10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.065 -8.949 11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.000 -9.111 9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.811 -10.411 10.613 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.358 -7.777 11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.674 -10.791 10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.200 -10.632 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.320 -7.578 12.932 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.564 -8.821 12.761 1.00 0.00 H new ATOM 772 N PHE A 56 -0.049 -4.876 9.405 1.00 0.00 N ATOM 773 CA PHE A 56 0.249 -3.796 8.470 1.00 0.00 C ATOM 774 C PHE A 56 1.242 -2.810 9.077 1.00 0.00 C ATOM 775 O PHE A 56 1.002 -2.251 10.148 1.00 0.00 O ATOM 776 CB PHE A 56 -1.037 -3.066 8.076 1.00 0.00 C ATOM 777 CG PHE A 56 -1.972 -3.901 7.250 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.846 -4.790 7.854 1.00 0.00 C ATOM 779 CD2 PHE A 56 -1.976 -3.799 5.868 1.00 0.00 C ATOM 780 CE1 PHE A 56 -3.708 -5.560 7.097 1.00 0.00 C ATOM 781 CE2 PHE A 56 -2.836 -4.566 5.105 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.702 -5.449 5.720 1.00 0.00 C ATOM 0 H PHE A 56 -0.938 -4.777 9.895 1.00 0.00 H new ATOM 0 HA PHE A 56 0.698 -4.233 7.578 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.553 -2.743 8.980 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.778 -2.166 7.518 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.854 -4.882 8.930 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.299 -3.112 5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.386 -6.248 7.581 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.831 -4.475 4.029 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.373 -6.051 5.126 1.00 0.00 H new ATOM 792 N GLN A 57 2.358 -2.602 8.386 1.00 0.00 N ATOM 793 CA GLN A 57 3.388 -1.684 8.857 1.00 0.00 C ATOM 794 C GLN A 57 3.649 -0.585 7.832 1.00 0.00 C ATOM 795 O GLN A 57 4.165 -0.846 6.746 1.00 0.00 O ATOM 796 CB GLN A 57 4.683 -2.444 9.149 1.00 0.00 C ATOM 797 CG GLN A 57 5.763 -1.584 9.786 1.00 0.00 C ATOM 798 CD GLN A 57 6.960 -2.394 10.243 1.00 0.00 C ATOM 799 OE1 GLN A 57 6.831 -3.304 11.063 1.00 0.00 O ATOM 800 NE2 GLN A 57 8.133 -2.068 9.714 1.00 0.00 N ATOM 0 H GLN A 57 2.572 -3.057 7.498 1.00 0.00 H new ATOM 0 HA GLN A 57 3.032 -1.220 9.777 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.461 -3.282 9.809 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.066 -2.863 8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.091 -0.830 9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.342 -1.052 10.639 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.194 -1.307 9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.974 -2.579 9.984 1.00 0.00 H new ATOM 809 N ALA A 58 3.289 0.644 8.186 1.00 0.00 N ATOM 810 CA ALA A 58 3.485 1.783 7.297 1.00 0.00 C ATOM 811 C ALA A 58 4.754 2.548 7.658 1.00 0.00 C ATOM 812 O ALA A 58 4.735 3.438 8.509 1.00 0.00 O ATOM 813 CB ALA A 58 2.277 2.707 7.348 1.00 0.00 C ATOM 0 H ALA A 58 2.860 0.877 9.082 1.00 0.00 H new ATOM 0 HA ALA A 58 3.596 1.405 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.437 3.553 6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.387 2.161 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.140 3.070 8.366 1.00 0.00 H new ATOM 819 N THR A 59 5.857 2.197 7.005 1.00 0.00 N ATOM 820 CA THR A 59 7.136 2.849 7.258 1.00 0.00 C ATOM 821 C THR A 59 7.189 4.226 6.606 1.00 0.00 C ATOM 822 O THR A 59 6.549 4.463 5.581 1.00 0.00 O ATOM 823 CB THR A 59 8.312 2.001 6.738 1.00 0.00 C ATOM 824 OG1 THR A 59 8.230 1.871 5.314 1.00 0.00 O ATOM 825 CG2 THR A 59 8.309 0.621 7.379 1.00 0.00 C ATOM 0 H THR A 59 5.890 1.464 6.296 1.00 0.00 H new ATOM 0 HA THR A 59 7.227 2.958 8.339 1.00 0.00 H new ATOM 0 HB THR A 59 9.241 2.506 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.982 1.332 4.991 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.148 0.040 6.996 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.400 0.722 8.460 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.376 0.111 7.140 1.00 0.00 H new ATOM 833 N ARG A 60 7.957 5.130 7.205 1.00 0.00 N ATOM 834 CA ARG A 60 8.093 6.484 6.682 1.00 0.00 C ATOM 835 C ARG A 60 9.553 6.801 6.368 1.00 0.00 C ATOM 836 O ARG A 60 10.319 7.179 7.253 1.00 0.00 O ATOM 837 CB ARG A 60 7.545 7.499 7.687 1.00 0.00 C ATOM 838 CG ARG A 60 7.334 8.885 7.099 1.00 0.00 C ATOM 839 CD ARG A 60 6.361 9.702 7.934 1.00 0.00 C ATOM 840 NE ARG A 60 7.000 10.271 9.117 1.00 0.00 N ATOM 841 CZ ARG A 60 6.446 11.217 9.868 1.00 0.00 C ATOM 842 NH1 ARG A 60 5.248 11.696 9.560 1.00 0.00 N ATOM 843 NH2 ARG A 60 7.089 11.684 10.930 1.00 0.00 N ATOM 0 H ARG A 60 8.495 4.949 8.053 1.00 0.00 H new ATOM 0 HA ARG A 60 7.517 6.550 5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.597 7.132 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.233 7.572 8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.290 9.405 7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.955 8.796 6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.946 10.505 7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.527 9.070 8.241 1.00 0.00 H new ATOM 0 HE ARG A 60 7.922 9.923 9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.750 11.338 8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.825 12.422 10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.010 11.317 11.171 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.663 12.410 11.506 1.00 0.00 H new ATOM 857 N GLN A 61 9.928 6.643 5.103 1.00 0.00 N ATOM 858 CA GLN A 61 11.295 6.911 4.673 1.00 0.00 C ATOM 859 C GLN A 61 11.342 8.097 3.715 1.00 0.00 C ATOM 860 O GLN A 61 10.745 8.063 2.640 1.00 0.00 O ATOM 861 CB GLN A 61 11.893 5.674 4.001 1.00 0.00 C ATOM 862 CG GLN A 61 12.492 4.678 4.981 1.00 0.00 C ATOM 863 CD GLN A 61 13.828 5.135 5.534 1.00 0.00 C ATOM 864 OE1 GLN A 61 14.519 5.950 4.923 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.198 4.611 6.696 1.00 0.00 N ATOM 0 H GLN A 61 9.305 6.331 4.358 1.00 0.00 H new ATOM 0 HA GLN A 61 11.885 7.157 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.117 5.176 3.419 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.665 5.990 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.796 4.522 5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.619 3.716 4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.593 3.938 7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.087 4.881 7.117 1.00 0.00 H new ATOM 874 N GLY A 62 12.055 9.146 4.114 1.00 0.00 N ATOM 875 CA GLY A 62 12.166 10.328 3.280 1.00 0.00 C ATOM 876 C GLY A 62 10.829 10.769 2.719 1.00 0.00 C ATOM 877 O GLY A 62 9.815 10.738 3.416 1.00 0.00 O ATOM 0 H GLY A 62 12.558 9.198 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.598 11.141 3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.853 10.126 2.458 1.00 0.00 H new ATOM 881 N ARG A 63 10.826 11.183 1.456 1.00 0.00 N ATOM 882 CA ARG A 63 9.603 11.635 0.803 1.00 0.00 C ATOM 883 C ARG A 63 8.894 10.473 0.113 1.00 0.00 C ATOM 884 O ARG A 63 8.262 10.648 -0.929 1.00 0.00 O ATOM 885 CB ARG A 63 9.920 12.731 -0.217 1.00 0.00 C ATOM 886 CG ARG A 63 10.895 12.293 -1.298 1.00 0.00 C ATOM 887 CD ARG A 63 10.785 13.171 -2.535 1.00 0.00 C ATOM 888 NE ARG A 63 11.886 12.943 -3.467 1.00 0.00 N ATOM 889 CZ ARG A 63 12.246 13.812 -4.405 1.00 0.00 C ATOM 890 NH1 ARG A 63 11.597 14.960 -4.535 1.00 0.00 N ATOM 891 NH2 ARG A 63 13.259 13.533 -5.216 1.00 0.00 N ATOM 0 H ARG A 63 11.656 11.215 0.865 1.00 0.00 H new ATOM 0 HA ARG A 63 8.940 12.040 1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.992 13.058 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.333 13.594 0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.913 12.334 -0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.699 11.255 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.838 12.973 -3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.774 14.219 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 63 12.407 12.069 -3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.818 15.179 -3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.876 15.625 -5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.762 12.651 -5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.535 14.201 -5.936 1.00 0.00 H new ATOM 905 N LYS A 64 9.003 9.287 0.701 1.00 0.00 N ATOM 906 CA LYS A 64 8.372 8.096 0.146 1.00 0.00 C ATOM 907 C LYS A 64 7.672 7.292 1.237 1.00 0.00 C ATOM 908 O LYS A 64 8.175 7.175 2.354 1.00 0.00 O ATOM 909 CB LYS A 64 9.413 7.223 -0.557 1.00 0.00 C ATOM 910 CG LYS A 64 8.845 5.931 -1.120 1.00 0.00 C ATOM 911 CD LYS A 64 9.944 4.937 -1.455 1.00 0.00 C ATOM 912 CE LYS A 64 10.648 5.301 -2.753 1.00 0.00 C ATOM 913 NZ LYS A 64 11.892 4.507 -2.951 1.00 0.00 N ATOM 0 H LYS A 64 9.523 9.125 1.563 1.00 0.00 H new ATOM 0 HA LYS A 64 7.625 8.416 -0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.866 7.794 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.209 6.983 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.161 5.488 -0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.264 6.148 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.670 4.908 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.518 3.937 -1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.973 5.133 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.892 6.363 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.342 4.785 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.547 4.686 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.656 3.494 -2.981 1.00 0.00 H new ATOM 927 N TYR A 65 6.511 6.739 0.904 1.00 0.00 N ATOM 928 CA TYR A 65 5.741 5.946 1.856 1.00 0.00 C ATOM 929 C TYR A 65 5.619 4.500 1.388 1.00 0.00 C ATOM 930 O TYR A 65 5.265 4.236 0.238 1.00 0.00 O ATOM 931 CB TYR A 65 4.350 6.551 2.049 1.00 0.00 C ATOM 932 CG TYR A 65 4.372 8.022 2.398 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.606 8.444 3.701 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.160 8.991 1.425 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.627 9.786 4.025 1.00 0.00 C ATOM 936 CE2 TYR A 65 4.179 10.336 1.739 1.00 0.00 C ATOM 937 CZ TYR A 65 4.413 10.729 3.040 1.00 0.00 C ATOM 938 OH TYR A 65 4.434 12.067 3.359 1.00 0.00 O ATOM 0 H TYR A 65 6.082 6.825 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 65 6.269 5.956 2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.773 6.412 1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.833 6.007 2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.774 7.709 4.474 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.977 8.687 0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.810 10.096 5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.012 11.076 0.970 1.00 0.00 H new ATOM 0 HH TYR A 65 4.267 12.598 2.553 1.00 0.00 H new ATOM 948 N ILE A 66 5.915 3.567 2.286 1.00 0.00 N ATOM 949 CA ILE A 66 5.836 2.147 1.966 1.00 0.00 C ATOM 950 C ILE A 66 4.946 1.408 2.960 1.00 0.00 C ATOM 951 O ILE A 66 5.263 1.317 4.147 1.00 0.00 O ATOM 952 CB ILE A 66 7.231 1.493 1.959 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.178 2.271 1.043 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.133 0.041 1.518 1.00 0.00 C ATOM 955 CD1 ILE A 66 8.866 3.431 1.729 1.00 0.00 C ATOM 0 H ILE A 66 6.212 3.769 3.241 1.00 0.00 H new ATOM 0 HA ILE A 66 5.403 2.072 0.968 1.00 0.00 H new ATOM 0 HB ILE A 66 7.633 1.518 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.934 1.590 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.616 2.647 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.127 -0.407 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.488 -0.506 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.714 -0.007 0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.521 3.936 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.117 4.133 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.456 3.060 2.567 1.00 0.00 H new ATOM 967 N LEU A 67 3.832 0.878 2.467 1.00 0.00 N ATOM 968 CA LEU A 67 2.895 0.144 3.311 1.00 0.00 C ATOM 969 C LEU A 67 3.125 -1.359 3.200 1.00 0.00 C ATOM 970 O LEU A 67 2.663 -2.000 2.256 1.00 0.00 O ATOM 971 CB LEU A 67 1.455 0.482 2.922 1.00 0.00 C ATOM 972 CG LEU A 67 0.373 -0.433 3.496 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.139 -0.126 4.967 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.921 -0.289 2.707 1.00 0.00 C ATOM 0 H LEU A 67 3.555 0.943 1.487 1.00 0.00 H new ATOM 0 HA LEU A 67 3.065 0.443 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.244 1.504 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.379 0.463 1.835 1.00 0.00 H new ATOM 0 HG LEU A 67 0.714 -1.465 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.634 -0.787 5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.064 -0.281 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.181 0.910 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.680 -0.948 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.266 0.744 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.744 -0.560 1.666 1.00 0.00 H new ATOM 986 N VAL A 68 3.841 -1.917 4.171 1.00 0.00 N ATOM 987 CA VAL A 68 4.129 -3.346 4.184 1.00 0.00 C ATOM 988 C VAL A 68 2.893 -4.153 4.563 1.00 0.00 C ATOM 989 O VAL A 68 2.299 -3.940 5.620 1.00 0.00 O ATOM 990 CB VAL A 68 5.268 -3.680 5.166 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.634 -5.154 5.079 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.481 -2.804 4.893 1.00 0.00 C ATOM 0 H VAL A 68 4.232 -1.401 4.959 1.00 0.00 H new ATOM 0 HA VAL A 68 4.439 -3.615 3.174 1.00 0.00 H new ATOM 0 HB VAL A 68 4.922 -3.476 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.440 -5.371 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.763 -5.760 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.961 -5.389 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.276 -3.054 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.831 -2.974 3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.207 -1.756 5.012 1.00 0.00 H new ATOM 1002 N VAL A 69 2.509 -5.082 3.693 1.00 0.00 N ATOM 1003 CA VAL A 69 1.343 -5.923 3.937 1.00 0.00 C ATOM 1004 C VAL A 69 1.758 -7.341 4.315 1.00 0.00 C ATOM 1005 O VAL A 69 2.284 -8.086 3.488 1.00 0.00 O ATOM 1006 CB VAL A 69 0.424 -5.981 2.702 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.774 -6.878 2.970 1.00 0.00 C ATOM 1008 CG2 VAL A 69 -0.024 -4.582 2.307 1.00 0.00 C ATOM 0 H VAL A 69 2.989 -5.271 2.813 1.00 0.00 H new ATOM 0 HA VAL A 69 0.797 -5.474 4.766 1.00 0.00 H new ATOM 0 HB VAL A 69 0.986 -6.406 1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.412 -6.907 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.429 -7.886 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.341 -6.485 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.672 -4.641 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.570 -4.128 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.849 -3.974 2.071 1.00 0.00 H new ATOM 1018 N ARG A 70 1.517 -7.707 5.570 1.00 0.00 N ATOM 1019 CA ARG A 70 1.866 -9.036 6.058 1.00 0.00 C ATOM 1020 C ARG A 70 0.654 -9.962 6.025 1.00 0.00 C ATOM 1021 O ARG A 70 -0.482 -9.520 6.192 1.00 0.00 O ATOM 1022 CB ARG A 70 2.417 -8.950 7.482 1.00 0.00 C ATOM 1023 CG ARG A 70 3.517 -7.914 7.649 1.00 0.00 C ATOM 1024 CD ARG A 70 4.890 -8.512 7.383 1.00 0.00 C ATOM 1025 NE ARG A 70 5.244 -9.530 8.368 1.00 0.00 N ATOM 1026 CZ ARG A 70 5.653 -9.249 9.600 1.00 0.00 C ATOM 1027 NH1 ARG A 70 5.760 -7.988 9.996 1.00 0.00 N ATOM 1028 NH2 ARG A 70 5.957 -10.231 10.439 1.00 0.00 N ATOM 0 H ARG A 70 1.082 -7.102 6.267 1.00 0.00 H new ATOM 0 HA ARG A 70 2.634 -9.447 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.601 -8.714 8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.803 -9.927 7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.342 -7.083 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.485 -7.508 8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.907 -8.951 6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.639 -7.720 7.395 1.00 0.00 H new ATOM 0 HE ARG A 70 5.173 -10.510 8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.528 -7.230 9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.074 -7.776 10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.877 -11.202 10.138 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.271 -10.015 11.385 1.00 0.00 H new ATOM 1042 N GLU A 71 0.906 -11.250 5.808 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.165 -12.238 5.752 1.00 0.00 C ATOM 1044 C GLU A 71 -1.195 -11.865 4.689 1.00 0.00 C ATOM 1045 O GLU A 71 -2.389 -12.108 4.854 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.847 -12.362 7.116 1.00 0.00 C ATOM 1047 CG GLU A 71 -0.003 -13.082 8.155 1.00 0.00 C ATOM 1048 CD GLU A 71 -0.754 -13.328 9.448 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -1.193 -12.342 10.076 1.00 0.00 O ATOM 1050 OE2 GLU A 71 -0.904 -14.507 9.833 1.00 0.00 O ATOM 0 H GLU A 71 1.841 -11.633 5.668 1.00 0.00 H new ATOM 0 HA GLU A 71 0.276 -13.198 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.089 -11.365 7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.790 -12.894 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.333 -14.035 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.890 -12.493 8.364 1.00 0.00 H new ATOM 1057 N ALA A 72 -0.721 -11.271 3.598 1.00 0.00 N ATOM 1058 CA ALA A 72 -1.599 -10.866 2.507 1.00 0.00 C ATOM 1059 C ALA A 72 -2.626 -11.949 2.197 1.00 0.00 C ATOM 1060 O ALA A 72 -2.275 -13.040 1.747 1.00 0.00 O ATOM 1061 CB ALA A 72 -0.782 -10.539 1.266 1.00 0.00 C ATOM 0 H ALA A 72 0.265 -11.060 3.447 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.138 -9.972 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.450 -10.238 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.092 -9.725 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.217 -11.419 0.960 1.00 0.00 H new ATOM 1067 N ALA A 73 -3.896 -11.642 2.441 1.00 0.00 N ATOM 1068 CA ALA A 73 -4.974 -12.590 2.187 1.00 0.00 C ATOM 1069 C ALA A 73 -5.682 -12.275 0.873 1.00 0.00 C ATOM 1070 O ALA A 73 -5.627 -11.157 0.363 1.00 0.00 O ATOM 1071 CB ALA A 73 -5.967 -12.582 3.339 1.00 0.00 C ATOM 0 H ALA A 73 -4.203 -10.744 2.814 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.538 -13.586 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.766 -13.295 3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.457 -12.862 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.390 -11.583 3.448 1.00 0.00 H new ATOM 1077 N PRO A 74 -6.364 -13.285 0.312 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.096 -13.140 -0.950 1.00 0.00 C ATOM 1079 C PRO A 74 -8.331 -12.256 -0.806 1.00 0.00 C ATOM 1080 O PRO A 74 -8.753 -11.603 -1.760 1.00 0.00 O ATOM 1081 CB PRO A 74 -7.503 -14.576 -1.291 1.00 0.00 C ATOM 1082 CG PRO A 74 -7.544 -15.279 0.021 1.00 0.00 C ATOM 1083 CD PRO A 74 -6.473 -14.645 0.865 1.00 0.00 C ATOM 0 HA PRO A 74 -6.491 -12.660 -1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.473 -14.605 -1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.786 -15.041 -1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.523 -15.174 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.362 -16.347 -0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.749 -14.629 1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.530 -15.186 0.790 1.00 0.00 H new ATOM 1091 N SER A 75 -8.905 -12.241 0.393 1.00 0.00 N ATOM 1092 CA SER A 75 -10.093 -11.440 0.661 1.00 0.00 C ATOM 1093 C SER A 75 -9.758 -9.952 0.655 1.00 0.00 C ATOM 1094 O SER A 75 -10.514 -9.136 0.128 1.00 0.00 O ATOM 1095 CB SER A 75 -10.705 -11.831 2.007 1.00 0.00 C ATOM 1096 OG SER A 75 -11.982 -11.242 2.178 1.00 0.00 O ATOM 0 H SER A 75 -8.566 -12.774 1.194 1.00 0.00 H new ATOM 0 HA SER A 75 -10.818 -11.635 -0.130 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.790 -12.916 2.070 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.045 -11.516 2.815 1.00 0.00 H new ATOM 0 HG SER A 75 -12.352 -11.509 3.045 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.619 -9.606 1.246 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.182 -8.216 1.309 1.00 0.00 C ATOM 1104 C ASP A 76 -8.081 -7.614 -0.089 1.00 0.00 C ATOM 1105 O ASP A 76 -8.339 -6.427 -0.284 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.831 -8.117 2.019 1.00 0.00 C ATOM 1107 CG ASP A 76 -6.971 -8.075 3.528 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.508 -7.074 4.047 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.545 -9.044 4.190 1.00 0.00 O ATOM 0 H ASP A 76 -7.982 -10.269 1.688 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.924 -7.652 1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.213 -8.970 1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.311 -7.221 1.680 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.704 -8.442 -1.058 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.570 -7.991 -2.438 1.00 0.00 C ATOM 1116 C ALA A 77 -8.791 -7.187 -2.874 1.00 0.00 C ATOM 1117 O ALA A 77 -9.900 -7.713 -2.942 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.361 -9.180 -3.364 1.00 0.00 C ATOM 0 H ALA A 77 -7.486 -9.428 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.698 -7.340 -2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.263 -8.828 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.455 -9.712 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.216 -9.853 -3.291 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.577 -5.908 -3.167 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.670 -5.052 -3.592 1.00 0.00 C ATOM 1126 C GLY A 78 -9.189 -3.706 -4.098 1.00 0.00 C ATOM 1127 O GLY A 78 -9.004 -3.518 -5.299 1.00 0.00 O ATOM 0 H GLY A 78 -7.667 -5.449 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.234 -5.552 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.354 -4.900 -2.757 1.00 0.00 H new ATOM 1131 N GLU A 79 -8.989 -2.768 -3.178 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.529 -1.432 -3.539 1.00 0.00 C ATOM 1133 C GLU A 79 -7.760 -0.791 -2.387 1.00 0.00 C ATOM 1134 O GLU A 79 -8.186 -0.848 -1.233 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.716 -0.548 -3.927 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.311 0.755 -4.597 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.495 1.506 -5.175 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -11.227 0.919 -5.998 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -10.689 2.682 -4.802 1.00 0.00 O ATOM 0 H GLU A 79 -9.138 -2.908 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.859 -1.525 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.369 -1.105 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.297 -0.322 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.802 1.390 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.596 0.544 -5.392 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.623 -0.183 -2.708 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.793 0.469 -1.702 1.00 0.00 C ATOM 1148 C VAL A 80 -5.803 1.983 -1.878 1.00 0.00 C ATOM 1149 O VAL A 80 -5.324 2.505 -2.885 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.339 -0.035 -1.761 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.542 0.491 -0.577 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.303 -1.555 -1.806 1.00 0.00 C ATOM 0 H VAL A 80 -6.255 -0.128 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.217 0.217 -0.730 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.879 0.343 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.517 0.124 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.539 1.581 -0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.998 0.146 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.268 -1.893 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.781 -1.957 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.835 -1.906 -2.690 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.351 2.685 -0.891 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.422 4.140 -0.936 1.00 0.00 C ATOM 1164 C VAL A 81 -5.441 4.769 0.048 1.00 0.00 C ATOM 1165 O VAL A 81 -5.500 4.511 1.250 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.843 4.643 -0.619 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.840 6.148 -0.396 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.804 4.263 -1.736 1.00 0.00 C ATOM 0 H VAL A 81 -6.752 2.269 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.157 4.438 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.182 4.165 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.852 6.485 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.185 6.391 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.481 6.648 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.803 4.626 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.470 4.712 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.828 3.178 -1.842 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.540 5.596 -0.471 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.545 6.262 0.361 1.00 0.00 C ATOM 1180 C PHE A 82 -3.752 7.774 0.352 1.00 0.00 C ATOM 1181 O PHE A 82 -3.625 8.422 -0.686 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.134 5.927 -0.126 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.089 6.895 0.349 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -0.687 6.905 1.675 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.510 7.796 -0.530 1.00 0.00 C ATOM 1186 CE1 PHE A 82 0.274 7.795 2.116 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.452 8.688 -0.095 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.844 8.689 1.229 1.00 0.00 C ATOM 0 H PHE A 82 -4.478 5.821 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.664 5.902 1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.870 4.925 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.130 5.907 -1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.130 6.209 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.814 7.801 -1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.579 7.792 3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.897 9.384 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.594 9.387 1.571 1.00 0.00 H new ATOM 1198 N SER A 83 -4.074 8.328 1.517 1.00 0.00 N ATOM 1199 CA SER A 83 -4.304 9.762 1.644 1.00 0.00 C ATOM 1200 C SER A 83 -3.209 10.416 2.482 1.00 0.00 C ATOM 1201 O SER A 83 -2.712 9.828 3.442 1.00 0.00 O ATOM 1202 CB SER A 83 -5.672 10.027 2.275 1.00 0.00 C ATOM 1203 OG SER A 83 -6.714 9.826 1.336 1.00 0.00 O ATOM 0 H SER A 83 -4.181 7.805 2.386 1.00 0.00 H new ATOM 0 HA SER A 83 -4.282 10.198 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.816 9.366 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.710 11.049 2.652 1.00 0.00 H new ATOM 0 HG SER A 83 -7.578 10.000 1.764 1.00 0.00 H new ATOM 1209 N VAL A 84 -2.838 11.637 2.110 1.00 0.00 N ATOM 1210 CA VAL A 84 -1.803 12.373 2.827 1.00 0.00 C ATOM 1211 C VAL A 84 -1.964 13.877 2.634 1.00 0.00 C ATOM 1212 O VAL A 84 -2.162 14.352 1.516 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.395 11.955 2.364 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.225 12.208 0.874 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.669 12.693 3.163 1.00 0.00 C ATOM 0 H VAL A 84 -3.239 12.137 1.317 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.917 12.131 3.884 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.275 10.886 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.776 11.906 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.965 11.630 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.364 13.269 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.658 12.386 2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.553 13.767 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.559 12.456 4.221 1.00 0.00 H new ATOM 1225 N ARG A 85 -1.878 14.621 3.732 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.015 16.071 3.684 1.00 0.00 C ATOM 1227 C ARG A 85 -3.165 16.479 2.768 1.00 0.00 C ATOM 1228 O ARG A 85 -3.109 17.516 2.109 1.00 0.00 O ATOM 1229 CB ARG A 85 -0.712 16.712 3.201 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.320 16.306 1.790 1.00 0.00 C ATOM 1231 CD ARG A 85 0.845 17.136 1.275 1.00 0.00 C ATOM 1232 NE ARG A 85 0.396 18.350 0.598 1.00 0.00 N ATOM 1233 CZ ARG A 85 1.222 19.238 0.056 1.00 0.00 C ATOM 1234 NH1 ARG A 85 2.533 19.049 0.113 1.00 0.00 N ATOM 1235 NH2 ARG A 85 0.737 20.318 -0.543 1.00 0.00 N ATOM 0 H ARG A 85 -1.714 14.243 4.665 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.234 16.423 4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.813 17.796 3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.092 16.440 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.050 15.250 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.175 16.425 1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.495 17.405 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.441 16.536 0.587 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.607 18.526 0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.909 18.220 0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.165 19.732 -0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.271 20.467 -0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.372 20.999 -0.959 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.207 15.654 2.731 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.355 15.945 1.893 1.00 0.00 C ATOM 1251 C GLY A 86 -5.389 15.092 0.640 1.00 0.00 C ATOM 1252 O GLY A 86 -6.433 14.547 0.280 1.00 0.00 O ATOM 0 H GLY A 86 -4.276 14.789 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.269 15.782 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.338 16.998 1.612 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.246 14.976 -0.026 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.149 14.184 -1.248 1.00 0.00 C ATOM 1258 C LEU A 87 -4.728 12.789 -1.039 1.00 0.00 C ATOM 1259 O LEU A 87 -4.866 12.324 0.093 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.691 14.081 -1.698 1.00 0.00 C ATOM 1261 CG LEU A 87 -1.994 15.403 -2.023 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.485 15.252 -1.911 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.382 15.883 -3.414 1.00 0.00 C ATOM 0 H LEU A 87 -3.373 15.420 0.259 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.728 14.685 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.125 13.578 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.648 13.444 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.319 16.150 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.006 16.202 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.223 14.955 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.143 14.490 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.877 16.825 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.087 15.137 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.461 16.032 -3.460 1.00 0.00 H new ATOM 1275 N THR A 88 -5.065 12.123 -2.139 1.00 0.00 N ATOM 1276 CA THR A 88 -5.629 10.780 -2.078 1.00 0.00 C ATOM 1277 C THR A 88 -5.441 10.044 -3.399 1.00 0.00 C ATOM 1278 O THR A 88 -5.769 10.567 -4.464 1.00 0.00 O ATOM 1279 CB THR A 88 -7.130 10.816 -1.733 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.354 11.681 -0.614 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.645 9.421 -1.412 1.00 0.00 C ATOM 0 H THR A 88 -4.957 12.492 -3.084 1.00 0.00 H new ATOM 0 HA THR A 88 -5.095 10.249 -1.290 1.00 0.00 H new ATOM 0 HB THR A 88 -7.671 11.195 -2.600 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.191 11.189 0.218 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.707 9.472 -1.172 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.499 8.772 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.099 9.019 -0.559 1.00 0.00 H new ATOM 1289 N SER A 89 -4.910 8.828 -3.323 1.00 0.00 N ATOM 1290 CA SER A 89 -4.676 8.020 -4.515 1.00 0.00 C ATOM 1291 C SER A 89 -5.492 6.732 -4.468 1.00 0.00 C ATOM 1292 O SER A 89 -6.232 6.486 -3.515 1.00 0.00 O ATOM 1293 CB SER A 89 -3.188 7.690 -4.647 1.00 0.00 C ATOM 1294 OG SER A 89 -2.887 7.206 -5.945 1.00 0.00 O ATOM 0 H SER A 89 -4.634 8.380 -2.449 1.00 0.00 H new ATOM 0 HA SER A 89 -4.992 8.597 -5.384 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.595 8.581 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.910 6.943 -3.903 1.00 0.00 H new ATOM 0 HG SER A 89 -2.032 7.580 -6.243 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.352 5.912 -5.504 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.074 4.648 -5.583 1.00 0.00 C ATOM 1302 C LYS A 90 -5.224 3.577 -6.258 1.00 0.00 C ATOM 1303 O LYS A 90 -4.357 3.884 -7.076 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.385 4.833 -6.351 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.467 5.533 -5.547 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.477 6.221 -6.452 1.00 0.00 C ATOM 1307 CE LYS A 90 -10.750 6.574 -5.698 1.00 0.00 C ATOM 1308 NZ LYS A 90 -11.799 7.116 -6.606 1.00 0.00 N ATOM 0 H LYS A 90 -4.744 6.101 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.298 4.322 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.188 5.407 -7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.753 3.856 -6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.979 4.807 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.011 6.268 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.036 7.127 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.719 5.569 -7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.130 5.687 -5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.523 7.309 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.651 7.345 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.445 7.977 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.034 6.405 -7.328 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.479 2.320 -5.912 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.739 1.203 -6.487 1.00 0.00 C ATOM 1324 C ALA A 91 -5.508 -0.104 -6.330 1.00 0.00 C ATOM 1325 O ALA A 91 -6.460 -0.186 -5.553 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.366 1.091 -5.841 1.00 0.00 C ATOM 0 H ALA A 91 -6.193 2.049 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.612 1.394 -7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.825 0.253 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.808 2.012 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.480 0.928 -4.769 1.00 0.00 H new ATOM 1332 N SER A 92 -5.091 -1.124 -7.073 1.00 0.00 N ATOM 1333 CA SER A 92 -5.743 -2.427 -7.020 1.00 0.00 C ATOM 1334 C SER A 92 -4.751 -3.516 -6.624 1.00 0.00 C ATOM 1335 O SER A 92 -3.686 -3.651 -7.229 1.00 0.00 O ATOM 1336 CB SER A 92 -6.373 -2.761 -8.373 1.00 0.00 C ATOM 1337 OG SER A 92 -7.679 -2.223 -8.475 1.00 0.00 O ATOM 0 H SER A 92 -4.304 -1.073 -7.719 1.00 0.00 H new ATOM 0 HA SER A 92 -6.527 -2.383 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.750 -2.365 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.411 -3.843 -8.503 1.00 0.00 H new ATOM 0 HG SER A 92 -8.059 -2.449 -9.350 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.107 -4.290 -5.606 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.249 -5.369 -5.128 1.00 0.00 C ATOM 1345 C LEU A 93 -4.821 -6.730 -5.510 1.00 0.00 C ATOM 1346 O LEU A 93 -5.991 -7.016 -5.256 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.083 -5.281 -3.610 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.519 -6.525 -2.923 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.064 -6.736 -3.311 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.659 -6.410 -1.412 1.00 0.00 C ATOM 0 H LEU A 93 -5.984 -4.191 -5.095 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.273 -5.260 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.430 -4.438 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.055 -5.057 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.091 -7.391 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.680 -7.626 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.990 -6.865 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.477 -5.869 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.252 -7.304 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.113 -5.534 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.712 -6.309 -1.151 1.00 0.00 H new ATOM 1362 N ILE A 94 -3.987 -7.567 -6.120 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.410 -8.899 -6.534 1.00 0.00 C ATOM 1364 C ILE A 94 -3.687 -9.978 -5.734 1.00 0.00 C ATOM 1365 O ILE A 94 -2.478 -10.162 -5.870 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.153 -9.130 -8.034 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.813 -8.026 -8.863 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.671 -10.497 -8.456 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.095 -7.735 -10.162 1.00 0.00 C ATOM 0 H ILE A 94 -3.015 -7.346 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.481 -8.964 -6.343 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.078 -9.099 -8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.841 -8.313 -9.082 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.856 -7.113 -8.269 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.482 -10.645 -9.519 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.160 -11.272 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.743 -10.554 -8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.618 -6.943 -10.697 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.074 -7.417 -9.950 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.075 -8.635 -10.776 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.438 -10.690 -4.899 1.00 0.00 N ATOM 1382 CA VAL A 95 -3.870 -11.754 -4.079 1.00 0.00 C ATOM 1383 C VAL A 95 -4.556 -13.087 -4.356 1.00 0.00 C ATOM 1384 O VAL A 95 -5.702 -13.301 -3.960 1.00 0.00 O ATOM 1385 CB VAL A 95 -3.990 -11.430 -2.578 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -3.489 -12.595 -1.738 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -3.228 -10.156 -2.246 1.00 0.00 C ATOM 0 H VAL A 95 -5.440 -10.549 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.815 -11.829 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.042 -11.269 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.582 -12.347 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.083 -13.483 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.443 -12.791 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.323 -9.942 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.175 -10.286 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.639 -9.326 -2.821 1.00 0.00 H new ATOM 1397 N ARG A 96 -3.847 -13.980 -5.038 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.388 -15.293 -5.369 1.00 0.00 C ATOM 1399 C ARG A 96 -4.163 -16.278 -4.225 1.00 0.00 C ATOM 1400 O ARG A 96 -3.104 -16.285 -3.600 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.741 -15.827 -6.649 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.997 -14.956 -7.869 1.00 0.00 C ATOM 1403 CD ARG A 96 -5.394 -15.175 -8.427 1.00 0.00 C ATOM 1404 NE ARG A 96 -5.556 -16.514 -8.988 1.00 0.00 N ATOM 1405 CZ ARG A 96 -6.641 -16.909 -9.645 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -7.655 -16.073 -9.821 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -6.714 -18.143 -10.126 1.00 0.00 N ATOM 0 H ARG A 96 -2.897 -13.819 -5.372 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.461 -15.186 -5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.666 -15.914 -6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.117 -16.831 -6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.871 -13.907 -7.601 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.258 -15.179 -8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.128 -15.022 -7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.597 -14.432 -9.198 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.795 -17.182 -8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.603 -15.124 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.487 -16.379 -10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.937 -18.790 -9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.547 -18.445 -10.630 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.169 -17.105 -3.958 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.081 -18.092 -2.888 1.00 0.00 C ATOM 1423 C GLU A 97 -4.175 -19.252 -3.291 1.00 0.00 C ATOM 1424 O GLU A 97 -4.065 -19.587 -4.471 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.473 -18.618 -2.533 1.00 0.00 C ATOM 1426 CG GLU A 97 -7.192 -19.272 -3.701 1.00 0.00 C ATOM 1427 CD GLU A 97 -8.158 -20.355 -3.259 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -9.306 -20.015 -2.902 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -7.766 -21.540 -3.269 1.00 0.00 O ATOM 0 H GLU A 97 -6.053 -17.111 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.651 -17.604 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.383 -19.340 -1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.080 -17.793 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.736 -18.511 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.456 -19.702 -4.381 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.527 -19.861 -2.303 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.629 -20.982 -2.554 1.00 0.00 C ATOM 1438 C ARG A 98 -3.369 -22.310 -2.427 1.00 0.00 C ATOM 1439 O ARG A 98 -4.379 -22.405 -1.730 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.451 -20.947 -1.578 1.00 0.00 C ATOM 1441 CG ARG A 98 -1.856 -21.145 -0.127 1.00 0.00 C ATOM 1442 CD ARG A 98 -1.847 -22.617 0.258 1.00 0.00 C ATOM 1443 NE ARG A 98 -2.005 -22.807 1.697 1.00 0.00 N ATOM 1444 CZ ARG A 98 -3.167 -22.694 2.330 1.00 0.00 C ATOM 1445 NH1 ARG A 98 -4.267 -22.393 1.655 1.00 0.00 N ATOM 1446 NH2 ARG A 98 -3.230 -22.883 3.642 1.00 0.00 N ATOM 0 H ARG A 98 -3.607 -19.597 -1.321 1.00 0.00 H new ATOM 0 HA ARG A 98 -2.251 -20.892 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.737 -21.722 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.938 -19.991 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.174 -20.594 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.852 -20.732 0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.651 -23.134 -0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.911 -23.071 -0.067 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.177 -23.039 2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.223 -22.247 0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -5.158 -22.307 2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.386 -23.115 4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.123 -22.796 4.127 1.00 0.00 H new ATOM 1460 N SER A 99 -2.859 -23.332 -3.106 1.00 0.00 N ATOM 1461 CA SER A 99 -3.474 -24.654 -3.073 1.00 0.00 C ATOM 1462 C SER A 99 -2.512 -25.687 -2.493 1.00 0.00 C ATOM 1463 O SER A 99 -1.604 -26.158 -3.176 1.00 0.00 O ATOM 1464 CB SER A 99 -3.904 -25.075 -4.480 1.00 0.00 C ATOM 1465 OG SER A 99 -4.872 -26.109 -4.429 1.00 0.00 O ATOM 0 H SER A 99 -2.022 -23.270 -3.686 1.00 0.00 H new ATOM 0 HA SER A 99 -4.354 -24.602 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.313 -24.216 -5.011 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.035 -25.414 -5.043 1.00 0.00 H new ATOM 0 HG SER A 99 -5.132 -26.359 -5.340 1.00 0.00 H new ATOM 1471 N GLY A 100 -2.719 -26.033 -1.225 1.00 0.00 N ATOM 1472 CA GLY A 100 -1.863 -27.006 -0.573 1.00 0.00 C ATOM 1473 C GLY A 100 -0.401 -26.610 -0.611 1.00 0.00 C ATOM 1474 O GLY A 100 -0.056 -25.441 -0.784 1.00 0.00 O ATOM 0 H GLY A 100 -3.464 -25.657 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.177 -27.125 0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.986 -27.975 -1.056 1.00 0.00 H new ATOM 1478 N PRO A 101 0.489 -27.600 -0.445 1.00 0.00 N ATOM 1479 CA PRO A 101 1.937 -27.373 -0.456 1.00 0.00 C ATOM 1480 C PRO A 101 2.456 -27.007 -1.843 1.00 0.00 C ATOM 1481 O PRO A 101 3.453 -26.297 -1.975 1.00 0.00 O ATOM 1482 CB PRO A 101 2.511 -28.719 -0.009 1.00 0.00 C ATOM 1483 CG PRO A 101 1.472 -29.718 -0.386 1.00 0.00 C ATOM 1484 CD PRO A 101 0.150 -29.017 -0.234 1.00 0.00 C ATOM 0 HA PRO A 101 2.223 -26.538 0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.460 -28.929 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.701 -28.731 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.615 -30.063 -1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.524 -30.597 0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.578 -29.369 -0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.282 -29.184 0.753 1.00 0.00 H new ATOM 1492 N SER A 102 1.773 -27.495 -2.873 1.00 0.00 N ATOM 1493 CA SER A 102 2.167 -27.222 -4.250 1.00 0.00 C ATOM 1494 C SER A 102 1.761 -25.810 -4.662 1.00 0.00 C ATOM 1495 O SER A 102 0.793 -25.254 -4.142 1.00 0.00 O ATOM 1496 CB SER A 102 1.534 -28.243 -5.197 1.00 0.00 C ATOM 1497 OG SER A 102 0.123 -28.114 -5.217 1.00 0.00 O ATOM 0 H SER A 102 0.944 -28.082 -2.780 1.00 0.00 H new ATOM 0 HA SER A 102 3.252 -27.303 -4.313 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.929 -28.104 -6.203 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.806 -29.251 -4.884 1.00 0.00 H new ATOM 0 HG SER A 102 -0.257 -28.777 -5.831 1.00 0.00 H new ATOM 1503 N SER A 103 2.507 -25.235 -5.599 1.00 0.00 N ATOM 1504 CA SER A 103 2.228 -23.887 -6.079 1.00 0.00 C ATOM 1505 C SER A 103 2.797 -23.680 -7.480 1.00 0.00 C ATOM 1506 O SER A 103 3.979 -23.918 -7.723 1.00 0.00 O ATOM 1507 CB SER A 103 2.814 -22.850 -5.120 1.00 0.00 C ATOM 1508 OG SER A 103 2.412 -21.539 -5.477 1.00 0.00 O ATOM 0 H SER A 103 3.310 -25.682 -6.041 1.00 0.00 H new ATOM 0 HA SER A 103 1.146 -23.760 -6.123 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.491 -23.068 -4.102 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.902 -22.915 -5.130 1.00 0.00 H new ATOM 0 HG SER A 103 2.799 -20.895 -4.847 1.00 0.00 H new ATOM 1514 N GLY A 104 1.945 -23.235 -8.398 1.00 0.00 N ATOM 1515 CA GLY A 104 2.379 -23.003 -9.763 1.00 0.00 C ATOM 1516 C GLY A 104 3.689 -22.242 -9.833 1.00 0.00 C ATOM 1517 O GLY A 104 4.699 -22.773 -10.294 1.00 0.00 O ATOM 0 H GLY A 104 0.961 -23.031 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.490 -23.960 -10.273 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.609 -22.445 -10.296 1.00 0.00 H new TER 1521 GLY A 104