USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=30 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 36 SER OG : rot -146:sc= 0.0836 USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= -0.295 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.96! C(o=-2!,f=-4.4!) 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 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 27 SER OG : rot 32:sc= 0.628 USER MOD Single : A 30 CYS SG : rot -153:sc= -2.1! USER MOD Single : A 33 SER OG : rot -140:sc= 0.83 USER MOD Single : A 34 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 30:sc= -0.763 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -54:sc= 0.202 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.024) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 61 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.4!) USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= -0.902 (180deg=-2.52!) USER MOD Single : A 75 SER OG : rot -27:sc= 0.122 USER MOD Single : A 83 SER OG : rot 180:sc= -0.282 USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= -0.205 (180deg=-0.644) USER MOD Single : A 92 SER OG : rot -57:sc= 0.044 USER MOD Single : A 99 SER OG : rot 49:sc= 0.104 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -16:sc= 0.672 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.909 12.128 8.239 1.00 0.00 N ATOM 2 CA GLY A 1 -14.805 12.667 7.233 1.00 0.00 C ATOM 3 C GLY A 1 -14.724 14.177 7.133 1.00 0.00 C ATOM 4 O GLY A 1 -15.635 14.885 7.562 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.002 11.093 8.268 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.928 12.381 8.002 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.153 12.524 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.565 12.229 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.829 12.376 7.469 1.00 0.00 H new ATOM 8 N SER A 2 -13.628 14.673 6.567 1.00 0.00 N ATOM 9 CA SER A 2 -13.428 16.110 6.417 1.00 0.00 C ATOM 10 C SER A 2 -13.636 16.539 4.968 1.00 0.00 C ATOM 11 O SER A 2 -12.820 16.239 4.096 1.00 0.00 O ATOM 12 CB SER A 2 -12.024 16.501 6.880 1.00 0.00 C ATOM 13 OG SER A 2 -11.962 16.602 8.292 1.00 0.00 O ATOM 0 H SER A 2 -12.865 14.101 6.205 1.00 0.00 H new ATOM 0 HA SER A 2 -14.163 16.621 7.038 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.304 15.760 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.742 17.454 6.431 1.00 0.00 H new ATOM 0 HG SER A 2 -11.054 16.851 8.563 1.00 0.00 H new ATOM 19 N SER A 3 -14.736 17.243 4.718 1.00 0.00 N ATOM 20 CA SER A 3 -15.055 17.711 3.374 1.00 0.00 C ATOM 21 C SER A 3 -14.007 18.705 2.882 1.00 0.00 C ATOM 22 O SER A 3 -14.058 19.890 3.208 1.00 0.00 O ATOM 23 CB SER A 3 -16.440 18.360 3.353 1.00 0.00 C ATOM 24 OG SER A 3 -16.880 18.580 2.024 1.00 0.00 O ATOM 0 H SER A 3 -15.421 17.502 5.428 1.00 0.00 H new ATOM 0 HA SER A 3 -15.055 16.850 2.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.153 17.721 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.409 19.308 3.891 1.00 0.00 H new ATOM 0 HG SER A 3 -17.768 18.994 2.038 1.00 0.00 H new ATOM 30 N GLY A 4 -13.056 18.211 2.094 1.00 0.00 N ATOM 31 CA GLY A 4 -12.009 19.068 1.569 1.00 0.00 C ATOM 32 C GLY A 4 -10.874 19.265 2.553 1.00 0.00 C ATOM 33 O GLY A 4 -11.104 19.439 3.750 1.00 0.00 O ATOM 0 H GLY A 4 -12.992 17.233 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.617 18.635 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.433 20.038 1.310 1.00 0.00 H new ATOM 37 N SER A 5 -9.644 19.237 2.049 1.00 0.00 N ATOM 38 CA SER A 5 -8.468 19.408 2.893 1.00 0.00 C ATOM 39 C SER A 5 -7.333 20.070 2.117 1.00 0.00 C ATOM 40 O SER A 5 -6.884 19.554 1.093 1.00 0.00 O ATOM 41 CB SER A 5 -8.005 18.057 3.441 1.00 0.00 C ATOM 42 OG SER A 5 -8.914 17.562 4.410 1.00 0.00 O ATOM 0 H SER A 5 -9.437 19.097 1.060 1.00 0.00 H new ATOM 0 HA SER A 5 -8.742 20.055 3.726 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.914 17.341 2.624 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.015 18.161 3.886 1.00 0.00 H new ATOM 0 HG SER A 5 -8.597 16.697 4.744 1.00 0.00 H new ATOM 48 N SER A 6 -6.875 21.215 2.611 1.00 0.00 N ATOM 49 CA SER A 6 -5.796 21.951 1.962 1.00 0.00 C ATOM 50 C SER A 6 -4.436 21.478 2.468 1.00 0.00 C ATOM 51 O SER A 6 -4.296 21.075 3.621 1.00 0.00 O ATOM 52 CB SER A 6 -5.952 23.452 2.212 1.00 0.00 C ATOM 53 OG SER A 6 -5.805 23.758 3.588 1.00 0.00 O ATOM 0 H SER A 6 -7.234 21.654 3.459 1.00 0.00 H new ATOM 0 HA SER A 6 -5.852 21.761 0.890 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.208 23.999 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.931 23.782 1.866 1.00 0.00 H new ATOM 0 HG SER A 6 -5.907 24.724 3.721 1.00 0.00 H new ATOM 59 N GLY A 7 -3.436 21.531 1.594 1.00 0.00 N ATOM 60 CA GLY A 7 -2.100 21.106 1.968 1.00 0.00 C ATOM 61 C GLY A 7 -1.591 19.966 1.107 1.00 0.00 C ATOM 62 O GLY A 7 -1.763 18.796 1.449 1.00 0.00 O ATOM 0 H GLY A 7 -3.527 21.861 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.417 21.952 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.100 20.796 3.013 1.00 0.00 H new ATOM 66 N HIS A 8 -0.965 20.308 -0.014 1.00 0.00 N ATOM 67 CA HIS A 8 -0.431 19.305 -0.928 1.00 0.00 C ATOM 68 C HIS A 8 0.342 19.963 -2.067 1.00 0.00 C ATOM 69 O HIS A 8 0.281 21.179 -2.251 1.00 0.00 O ATOM 70 CB HIS A 8 -1.562 18.446 -1.494 1.00 0.00 C ATOM 71 CG HIS A 8 -2.274 19.079 -2.650 1.00 0.00 C ATOM 72 ND1 HIS A 8 -2.990 18.355 -3.580 1.00 0.00 N ATOM 73 CD2 HIS A 8 -2.379 20.376 -3.022 1.00 0.00 C ATOM 74 CE1 HIS A 8 -3.503 19.180 -4.475 1.00 0.00 C ATOM 75 NE2 HIS A 8 -3.147 20.412 -4.159 1.00 0.00 N ATOM 0 H HIS A 8 -0.815 21.272 -0.311 1.00 0.00 H new ATOM 0 HA HIS A 8 0.254 18.668 -0.368 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.154 17.486 -1.811 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.283 18.241 -0.702 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.940 21.225 -2.518 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.110 18.895 -5.321 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.402 21.254 -4.676 1.00 0.00 H new ATOM 84 N VAL A 9 1.070 19.152 -2.828 1.00 0.00 N ATOM 85 CA VAL A 9 1.855 19.656 -3.949 1.00 0.00 C ATOM 86 C VAL A 9 1.652 18.797 -5.192 1.00 0.00 C ATOM 87 O VAL A 9 2.350 18.958 -6.192 1.00 0.00 O ATOM 88 CB VAL A 9 3.357 19.699 -3.608 1.00 0.00 C ATOM 89 CG1 VAL A 9 3.693 20.968 -2.840 1.00 0.00 C ATOM 90 CG2 VAL A 9 3.759 18.464 -2.817 1.00 0.00 C ATOM 0 H VAL A 9 1.133 18.143 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 9 1.506 20.669 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 9 3.924 19.706 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.758 20.981 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.443 21.838 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.119 20.995 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.823 18.511 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.187 18.423 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.556 17.571 -3.408 1.00 0.00 H new ATOM 100 N GLY A 10 0.689 17.883 -5.122 1.00 0.00 N ATOM 101 CA GLY A 10 0.410 17.012 -6.249 1.00 0.00 C ATOM 102 C GLY A 10 1.031 15.638 -6.088 1.00 0.00 C ATOM 103 O GLY A 10 1.924 15.447 -5.261 1.00 0.00 O ATOM 0 H GLY A 10 0.097 17.730 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.669 16.908 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.787 17.473 -7.162 1.00 0.00 H new ATOM 107 N ILE A 11 0.558 14.680 -6.877 1.00 0.00 N ATOM 108 CA ILE A 11 1.073 13.318 -6.817 1.00 0.00 C ATOM 109 C ILE A 11 1.794 12.946 -8.108 1.00 0.00 C ATOM 110 O ILE A 11 1.213 12.992 -9.193 1.00 0.00 O ATOM 111 CB ILE A 11 -0.055 12.301 -6.561 1.00 0.00 C ATOM 112 CG1 ILE A 11 -0.940 12.769 -5.404 1.00 0.00 C ATOM 113 CG2 ILE A 11 0.528 10.927 -6.266 1.00 0.00 C ATOM 114 CD1 ILE A 11 -2.108 11.848 -5.126 1.00 0.00 C ATOM 0 H ILE A 11 -0.181 14.822 -7.565 1.00 0.00 H new ATOM 0 HA ILE A 11 1.778 13.283 -5.987 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.670 12.229 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.332 12.854 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.319 13.766 -5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.281 10.219 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.121 10.593 -7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.163 10.983 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.692 12.242 -4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.739 11.782 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.736 10.856 -4.871 1.00 0.00 H new ATOM 126 N THR A 12 3.064 12.574 -7.984 1.00 0.00 N ATOM 127 CA THR A 12 3.866 12.192 -9.140 1.00 0.00 C ATOM 128 C THR A 12 4.079 10.684 -9.188 1.00 0.00 C ATOM 129 O THR A 12 4.265 10.106 -10.259 1.00 0.00 O ATOM 130 CB THR A 12 5.237 12.893 -9.128 1.00 0.00 C ATOM 131 OG1 THR A 12 6.018 12.459 -10.247 1.00 0.00 O ATOM 132 CG2 THR A 12 5.985 12.597 -7.837 1.00 0.00 C ATOM 0 H THR A 12 3.560 12.529 -7.094 1.00 0.00 H new ATOM 0 HA THR A 12 3.313 12.506 -10.026 1.00 0.00 H new ATOM 0 HB THR A 12 5.071 13.968 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.888 12.910 -10.234 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.950 13.103 -7.852 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.401 12.954 -6.988 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.140 11.522 -7.745 1.00 0.00 H new ATOM 140 N LYS A 13 4.049 10.049 -8.021 1.00 0.00 N ATOM 141 CA LYS A 13 4.236 8.606 -7.928 1.00 0.00 C ATOM 142 C LYS A 13 3.013 7.937 -7.311 1.00 0.00 C ATOM 143 O LYS A 13 3.027 7.555 -6.140 1.00 0.00 O ATOM 144 CB LYS A 13 5.481 8.285 -7.097 1.00 0.00 C ATOM 145 CG LYS A 13 6.126 6.958 -7.456 1.00 0.00 C ATOM 146 CD LYS A 13 7.583 6.913 -7.027 1.00 0.00 C ATOM 147 CE LYS A 13 8.461 7.746 -7.948 1.00 0.00 C ATOM 148 NZ LYS A 13 9.764 8.087 -7.313 1.00 0.00 N ATOM 0 H LYS A 13 3.897 10.512 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 13 4.370 8.216 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.212 9.083 -7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.210 8.274 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.579 6.145 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.057 6.798 -8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.674 7.281 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.931 5.880 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.640 7.198 -8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.937 8.663 -8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.333 8.655 -7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.594 8.632 -6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.275 7.212 -7.079 1.00 0.00 H new ATOM 162 N ARG A 14 1.957 7.796 -8.105 1.00 0.00 N ATOM 163 CA ARG A 14 0.726 7.172 -7.636 1.00 0.00 C ATOM 164 C ARG A 14 0.938 5.686 -7.365 1.00 0.00 C ATOM 165 O ARG A 14 1.975 5.122 -7.717 1.00 0.00 O ATOM 166 CB ARG A 14 -0.390 7.359 -8.665 1.00 0.00 C ATOM 167 CG ARG A 14 -0.100 6.702 -10.005 1.00 0.00 C ATOM 168 CD ARG A 14 -1.382 6.297 -10.716 1.00 0.00 C ATOM 169 NE ARG A 14 -1.117 5.491 -11.905 1.00 0.00 N ATOM 170 CZ ARG A 14 -1.967 5.374 -12.918 1.00 0.00 C ATOM 171 NH1 ARG A 14 -3.131 6.010 -12.888 1.00 0.00 N ATOM 172 NH2 ARG A 14 -1.654 4.622 -13.966 1.00 0.00 N ATOM 0 H ARG A 14 1.929 8.106 -9.076 1.00 0.00 H new ATOM 0 HA ARG A 14 0.436 7.656 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.316 6.949 -8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.554 8.425 -8.821 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.464 7.390 -10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.526 5.823 -9.853 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.015 5.734 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.937 7.191 -11.000 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.230 4.990 -11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.374 6.590 -12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.782 5.919 -13.668 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.759 4.133 -13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.308 4.533 -14.744 1.00 0.00 H new ATOM 186 N LEU A 15 -0.049 5.057 -6.737 1.00 0.00 N ATOM 187 CA LEU A 15 0.029 3.636 -6.418 1.00 0.00 C ATOM 188 C LEU A 15 -0.015 2.790 -7.687 1.00 0.00 C ATOM 189 O LEU A 15 -0.598 3.191 -8.694 1.00 0.00 O ATOM 190 CB LEU A 15 -1.117 3.238 -5.486 1.00 0.00 C ATOM 191 CG LEU A 15 -1.022 3.753 -4.049 1.00 0.00 C ATOM 192 CD1 LEU A 15 -2.387 3.714 -3.378 1.00 0.00 C ATOM 193 CD2 LEU A 15 -0.012 2.937 -3.256 1.00 0.00 C ATOM 0 H LEU A 15 -0.913 5.509 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 15 0.978 3.454 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.051 3.596 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.175 2.150 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.682 4.788 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.301 4.084 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.084 4.342 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.756 2.688 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.043 3.317 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.322 1.892 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.969 3.016 -3.726 1.00 0.00 H new ATOM 205 N LYS A 16 0.604 1.615 -7.630 1.00 0.00 N ATOM 206 CA LYS A 16 0.633 0.709 -8.772 1.00 0.00 C ATOM 207 C LYS A 16 0.073 -0.659 -8.396 1.00 0.00 C ATOM 208 O LYS A 16 0.487 -1.260 -7.404 1.00 0.00 O ATOM 209 CB LYS A 16 2.064 0.561 -9.295 1.00 0.00 C ATOM 210 CG LYS A 16 3.057 0.123 -8.232 1.00 0.00 C ATOM 211 CD LYS A 16 4.420 -0.176 -8.833 1.00 0.00 C ATOM 212 CE LYS A 16 5.480 -0.344 -7.754 1.00 0.00 C ATOM 213 NZ LYS A 16 5.589 -1.758 -7.300 1.00 0.00 N ATOM 0 H LYS A 16 1.092 1.268 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 16 0.008 1.134 -9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.072 -0.164 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.389 1.513 -9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.154 0.905 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.680 -0.764 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.363 -1.084 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.708 0.633 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.444 -0.010 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.237 0.293 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.321 -1.831 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.676 -2.069 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.846 -2.363 -8.106 1.00 0.00 H new ATOM 227 N THR A 17 -0.870 -1.148 -9.195 1.00 0.00 N ATOM 228 CA THR A 17 -1.486 -2.445 -8.947 1.00 0.00 C ATOM 229 C THR A 17 -0.430 -3.520 -8.719 1.00 0.00 C ATOM 230 O THR A 17 0.467 -3.706 -9.540 1.00 0.00 O ATOM 231 CB THR A 17 -2.392 -2.870 -10.118 1.00 0.00 C ATOM 232 OG1 THR A 17 -3.361 -1.850 -10.383 1.00 0.00 O ATOM 233 CG2 THR A 17 -3.099 -4.180 -9.806 1.00 0.00 C ATOM 0 H THR A 17 -1.224 -0.664 -10.020 1.00 0.00 H new ATOM 0 HA THR A 17 -2.093 -2.340 -8.048 1.00 0.00 H new ATOM 0 HB THR A 17 -1.767 -3.014 -10.999 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.932 -2.127 -11.130 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.733 -4.460 -10.647 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.358 -4.961 -9.634 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.713 -4.059 -8.913 1.00 0.00 H new ATOM 241 N MET A 18 -0.543 -4.227 -7.599 1.00 0.00 N ATOM 242 CA MET A 18 0.402 -5.286 -7.264 1.00 0.00 C ATOM 243 C MET A 18 -0.254 -6.658 -7.385 1.00 0.00 C ATOM 244 O MET A 18 -1.448 -6.809 -7.128 1.00 0.00 O ATOM 245 CB MET A 18 0.941 -5.089 -5.847 1.00 0.00 C ATOM 246 CG MET A 18 2.057 -6.053 -5.481 1.00 0.00 C ATOM 247 SD MET A 18 3.540 -5.810 -6.479 1.00 0.00 S ATOM 248 CE MET A 18 4.422 -4.608 -5.486 1.00 0.00 C ATOM 0 H MET A 18 -1.280 -4.086 -6.908 1.00 0.00 H new ATOM 0 HA MET A 18 1.231 -5.235 -7.970 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.307 -4.067 -5.745 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.123 -5.207 -5.136 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.308 -5.929 -4.428 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.703 -7.076 -5.606 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.364 -4.355 -5.972 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.816 -3.708 -5.380 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.624 -5.028 -4.501 1.00 0.00 H new ATOM 258 N GLU A 19 0.534 -7.653 -7.779 1.00 0.00 N ATOM 259 CA GLU A 19 0.028 -9.012 -7.935 1.00 0.00 C ATOM 260 C GLU A 19 0.887 -10.005 -7.157 1.00 0.00 C ATOM 261 O GLU A 19 2.049 -10.234 -7.494 1.00 0.00 O ATOM 262 CB GLU A 19 -0.008 -9.400 -9.414 1.00 0.00 C ATOM 263 CG GLU A 19 -1.094 -10.406 -9.753 1.00 0.00 C ATOM 264 CD GLU A 19 -0.756 -11.241 -10.973 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.071 -12.168 -10.847 1.00 0.00 O ATOM 266 OE2 GLU A 19 -1.320 -10.967 -12.053 1.00 0.00 O ATOM 0 H GLU A 19 1.525 -7.544 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.985 -9.043 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.157 -8.502 -10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.960 -9.814 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.253 -11.065 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.032 -9.878 -9.927 1.00 0.00 H new ATOM 273 N VAL A 20 0.308 -10.591 -6.115 1.00 0.00 N ATOM 274 CA VAL A 20 1.019 -11.560 -5.289 1.00 0.00 C ATOM 275 C VAL A 20 0.128 -12.749 -4.947 1.00 0.00 C ATOM 276 O VAL A 20 -1.099 -12.657 -5.006 1.00 0.00 O ATOM 277 CB VAL A 20 1.526 -10.919 -3.983 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.232 -9.603 -4.273 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.376 -10.714 -3.009 1.00 0.00 C ATOM 0 H VAL A 20 -0.652 -10.412 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 20 1.874 -11.906 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 20 2.246 -11.595 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.583 -9.165 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.082 -9.783 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.537 -8.916 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.752 -10.260 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.369 -10.058 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.080 -11.676 -2.777 1.00 0.00 H new ATOM 289 N LEU A 21 0.753 -13.865 -4.588 1.00 0.00 N ATOM 290 CA LEU A 21 0.017 -15.074 -4.235 1.00 0.00 C ATOM 291 C LEU A 21 -0.215 -15.150 -2.729 1.00 0.00 C ATOM 292 O LEU A 21 0.701 -14.926 -1.939 1.00 0.00 O ATOM 293 CB LEU A 21 0.778 -16.314 -4.708 1.00 0.00 C ATOM 294 CG LEU A 21 0.039 -17.646 -4.574 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.846 -17.890 -5.786 1.00 0.00 C ATOM 296 CD2 LEU A 21 1.028 -18.788 -4.394 1.00 0.00 C ATOM 0 H LEU A 21 1.767 -13.958 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.952 -15.038 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.046 -16.174 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.710 -16.380 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.597 -17.600 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.364 -18.842 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.578 -17.087 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.232 -17.916 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.485 -19.728 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.690 -18.836 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.619 -18.619 -3.494 1.00 0.00 H new ATOM 308 N GLU A 22 -1.445 -15.468 -2.340 1.00 0.00 N ATOM 309 CA GLU A 22 -1.797 -15.575 -0.929 1.00 0.00 C ATOM 310 C GLU A 22 -0.629 -16.131 -0.119 1.00 0.00 C ATOM 311 O GLU A 22 -0.083 -17.186 -0.439 1.00 0.00 O ATOM 312 CB GLU A 22 -3.026 -16.469 -0.753 1.00 0.00 C ATOM 313 CG GLU A 22 -3.693 -16.325 0.605 1.00 0.00 C ATOM 314 CD GLU A 22 -4.611 -17.487 0.930 1.00 0.00 C ATOM 315 OE1 GLU A 22 -4.173 -18.648 0.788 1.00 0.00 O ATOM 316 OE2 GLU A 22 -5.769 -17.236 1.326 1.00 0.00 O ATOM 0 H GLU A 22 -2.215 -15.656 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.029 -14.575 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.751 -16.233 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.732 -17.509 -0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.926 -16.246 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.265 -15.397 0.628 1.00 0.00 H new ATOM 323 N GLY A 23 -0.251 -15.411 0.934 1.00 0.00 N ATOM 324 CA GLY A 23 0.849 -15.847 1.774 1.00 0.00 C ATOM 325 C GLY A 23 2.097 -15.010 1.575 1.00 0.00 C ATOM 326 O GLY A 23 2.901 -14.855 2.494 1.00 0.00 O ATOM 0 H GLY A 23 -0.687 -14.534 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.545 -15.798 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.077 -16.891 1.557 1.00 0.00 H new ATOM 330 N GLU A 24 2.260 -14.470 0.371 1.00 0.00 N ATOM 331 CA GLU A 24 3.421 -13.646 0.055 1.00 0.00 C ATOM 332 C GLU A 24 3.357 -12.310 0.789 1.00 0.00 C ATOM 333 O GLU A 24 2.445 -12.068 1.580 1.00 0.00 O ATOM 334 CB GLU A 24 3.509 -13.407 -1.454 1.00 0.00 C ATOM 335 CG GLU A 24 3.559 -14.688 -2.271 1.00 0.00 C ATOM 336 CD GLU A 24 4.943 -15.307 -2.300 1.00 0.00 C ATOM 337 OE1 GLU A 24 5.734 -14.951 -3.199 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.236 -16.148 -1.424 1.00 0.00 O ATOM 0 H GLU A 24 1.604 -14.588 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 24 4.313 -14.179 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.649 -12.817 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.398 -12.814 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.852 -15.407 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.238 -14.477 -3.291 1.00 0.00 H new ATOM 345 N SER A 25 4.332 -11.447 0.522 1.00 0.00 N ATOM 346 CA SER A 25 4.389 -10.137 1.160 1.00 0.00 C ATOM 347 C SER A 25 4.650 -9.042 0.130 1.00 0.00 C ATOM 348 O SER A 25 5.494 -9.195 -0.754 1.00 0.00 O ATOM 349 CB SER A 25 5.481 -10.116 2.232 1.00 0.00 C ATOM 350 OG SER A 25 6.769 -10.048 1.646 1.00 0.00 O ATOM 0 H SER A 25 5.093 -11.631 -0.132 1.00 0.00 H new ATOM 0 HA SER A 25 3.424 -9.946 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.332 -9.260 2.891 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.406 -11.011 2.850 1.00 0.00 H new ATOM 0 HG SER A 25 7.449 -10.034 2.352 1.00 0.00 H new ATOM 356 N CYS A 26 3.921 -7.938 0.252 1.00 0.00 N ATOM 357 CA CYS A 26 4.073 -6.817 -0.668 1.00 0.00 C ATOM 358 C CYS A 26 4.259 -5.509 0.094 1.00 0.00 C ATOM 359 O CYS A 26 4.294 -5.496 1.324 1.00 0.00 O ATOM 360 CB CYS A 26 2.854 -6.716 -1.587 1.00 0.00 C ATOM 361 SG CYS A 26 1.269 -6.878 -0.732 1.00 0.00 S ATOM 0 H CYS A 26 3.219 -7.796 0.979 1.00 0.00 H new ATOM 0 HA CYS A 26 4.962 -6.994 -1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.880 -5.756 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.923 -7.490 -2.351 1.00 0.00 H new ATOM 0 HG CYS A 26 0.300 -6.777 -1.592 1.00 0.00 H new ATOM 367 N SER A 27 4.381 -4.411 -0.645 1.00 0.00 N ATOM 368 CA SER A 27 4.570 -3.099 -0.039 1.00 0.00 C ATOM 369 C SER A 27 4.162 -1.990 -1.005 1.00 0.00 C ATOM 370 O SER A 27 4.775 -1.813 -2.058 1.00 0.00 O ATOM 371 CB SER A 27 6.029 -2.913 0.382 1.00 0.00 C ATOM 372 OG SER A 27 6.895 -2.980 -0.737 1.00 0.00 O ATOM 0 H SER A 27 4.352 -4.404 -1.665 1.00 0.00 H new ATOM 0 HA SER A 27 3.934 -3.040 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.147 -1.951 0.880 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.303 -3.682 1.105 1.00 0.00 H new ATOM 0 HG SER A 27 6.437 -2.623 -1.527 1.00 0.00 H new ATOM 378 N PHE A 28 3.124 -1.247 -0.639 1.00 0.00 N ATOM 379 CA PHE A 28 2.632 -0.156 -1.472 1.00 0.00 C ATOM 380 C PHE A 28 3.256 1.172 -1.053 1.00 0.00 C ATOM 381 O PHE A 28 2.866 1.761 -0.045 1.00 0.00 O ATOM 382 CB PHE A 28 1.107 -0.066 -1.386 1.00 0.00 C ATOM 383 CG PHE A 28 0.398 -1.053 -2.269 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.183 -2.354 -1.843 1.00 0.00 C ATOM 385 CD2 PHE A 28 -0.054 -0.680 -3.524 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.468 -3.264 -2.654 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.707 -1.585 -4.339 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.915 -2.879 -3.903 1.00 0.00 C ATOM 0 H PHE A 28 2.606 -1.380 0.230 1.00 0.00 H new ATOM 0 HA PHE A 28 2.918 -0.363 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.799 -0.228 -0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.795 0.942 -1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.528 -2.660 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.106 0.331 -3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.627 -4.276 -2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.054 -1.281 -5.315 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.426 -3.588 -4.537 1.00 0.00 H new ATOM 398 N GLU A 29 4.226 1.637 -1.834 1.00 0.00 N ATOM 399 CA GLU A 29 4.904 2.895 -1.542 1.00 0.00 C ATOM 400 C GLU A 29 4.403 4.008 -2.458 1.00 0.00 C ATOM 401 O GLU A 29 4.055 3.765 -3.615 1.00 0.00 O ATOM 402 CB GLU A 29 6.417 2.732 -1.699 1.00 0.00 C ATOM 403 CG GLU A 29 6.817 1.868 -2.883 1.00 0.00 C ATOM 404 CD GLU A 29 8.298 1.959 -3.198 1.00 0.00 C ATOM 405 OE1 GLU A 29 8.727 3.003 -3.732 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.027 0.987 -2.911 1.00 0.00 O ATOM 0 H GLU A 29 4.560 1.162 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 29 4.680 3.169 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.870 3.717 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.823 2.294 -0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.557 0.830 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.244 2.171 -3.759 1.00 0.00 H new ATOM 413 N CYS A 30 4.370 5.227 -1.934 1.00 0.00 N ATOM 414 CA CYS A 30 3.911 6.379 -2.703 1.00 0.00 C ATOM 415 C CYS A 30 4.734 7.618 -2.370 1.00 0.00 C ATOM 416 O CYS A 30 5.190 7.789 -1.239 1.00 0.00 O ATOM 417 CB CYS A 30 2.431 6.645 -2.427 1.00 0.00 C ATOM 418 SG CYS A 30 1.680 7.859 -3.537 1.00 0.00 S ATOM 0 H CYS A 30 4.656 5.444 -0.979 1.00 0.00 H new ATOM 0 HA CYS A 30 4.041 6.153 -3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.883 5.706 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.320 6.991 -1.399 1.00 0.00 H new ATOM 0 HG CYS A 30 0.678 8.432 -2.939 1.00 0.00 H new ATOM 424 N VAL A 31 4.922 8.482 -3.363 1.00 0.00 N ATOM 425 CA VAL A 31 5.692 9.706 -3.176 1.00 0.00 C ATOM 426 C VAL A 31 4.903 10.927 -3.638 1.00 0.00 C ATOM 427 O VAL A 31 4.127 10.854 -4.592 1.00 0.00 O ATOM 428 CB VAL A 31 7.027 9.652 -3.941 1.00 0.00 C ATOM 429 CG1 VAL A 31 7.952 10.770 -3.482 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.689 8.294 -3.762 1.00 0.00 C ATOM 0 H VAL A 31 4.552 8.357 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 31 5.897 9.791 -2.109 1.00 0.00 H new ATOM 0 HB VAL A 31 6.823 9.794 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.890 10.715 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.478 11.734 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.151 10.663 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.631 8.274 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.881 8.119 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.030 7.515 -4.145 1.00 0.00 H new ATOM 440 N LEU A 32 5.107 12.048 -2.956 1.00 0.00 N ATOM 441 CA LEU A 32 4.415 13.287 -3.296 1.00 0.00 C ATOM 442 C LEU A 32 5.180 14.062 -4.363 1.00 0.00 C ATOM 443 O LEU A 32 6.321 13.732 -4.687 1.00 0.00 O ATOM 444 CB LEU A 32 4.237 14.154 -2.048 1.00 0.00 C ATOM 445 CG LEU A 32 3.022 13.835 -1.177 1.00 0.00 C ATOM 446 CD1 LEU A 32 2.772 14.954 -0.178 1.00 0.00 C ATOM 447 CD2 LEU A 32 1.791 13.604 -2.041 1.00 0.00 C ATOM 0 H LEU A 32 5.746 12.125 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 32 3.434 13.029 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.133 14.061 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.171 15.196 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 32 3.228 12.920 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.903 14.709 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.645 15.071 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.588 15.885 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.936 13.378 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.582 14.501 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.972 12.767 -2.715 1.00 0.00 H new ATOM 459 N SER A 33 4.545 15.097 -4.905 1.00 0.00 N ATOM 460 CA SER A 33 5.166 15.919 -5.937 1.00 0.00 C ATOM 461 C SER A 33 6.260 16.802 -5.344 1.00 0.00 C ATOM 462 O SER A 33 6.966 17.505 -6.067 1.00 0.00 O ATOM 463 CB SER A 33 4.113 16.788 -6.628 1.00 0.00 C ATOM 464 OG SER A 33 4.675 18.007 -7.082 1.00 0.00 O ATOM 0 H SER A 33 3.601 15.386 -4.647 1.00 0.00 H new ATOM 0 HA SER A 33 5.619 15.254 -6.672 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.685 16.245 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.297 16.996 -5.936 1.00 0.00 H new ATOM 0 HG SER A 33 4.044 18.739 -6.919 1.00 0.00 H new ATOM 470 N HIS A 34 6.395 16.758 -4.022 1.00 0.00 N ATOM 471 CA HIS A 34 7.403 17.553 -3.330 1.00 0.00 C ATOM 472 C HIS A 34 7.603 17.053 -1.903 1.00 0.00 C ATOM 473 O HIS A 34 6.808 16.263 -1.395 1.00 0.00 O ATOM 474 CB HIS A 34 6.999 19.027 -3.315 1.00 0.00 C ATOM 475 CG HIS A 34 8.163 19.967 -3.235 1.00 0.00 C ATOM 476 ND1 HIS A 34 8.088 21.209 -2.641 1.00 0.00 N ATOM 477 CD2 HIS A 34 9.436 19.839 -3.677 1.00 0.00 C ATOM 478 CE1 HIS A 34 9.264 21.805 -2.722 1.00 0.00 C ATOM 479 NE2 HIS A 34 10.099 20.995 -3.346 1.00 0.00 N ATOM 0 H HIS A 34 5.819 16.181 -3.409 1.00 0.00 H new ATOM 0 HA HIS A 34 8.345 17.448 -3.868 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.426 19.247 -4.216 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.339 19.206 -2.466 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.852 18.987 -4.194 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.502 22.788 -2.342 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.078 21.195 -3.549 1.00 0.00 H new ATOM 488 N GLU A 35 8.670 17.519 -1.261 1.00 0.00 N ATOM 489 CA GLU A 35 8.974 17.118 0.107 1.00 0.00 C ATOM 490 C GLU A 35 7.700 17.023 0.942 1.00 0.00 C ATOM 491 O GLU A 35 6.919 17.971 1.011 1.00 0.00 O ATOM 492 CB GLU A 35 9.945 18.110 0.750 1.00 0.00 C ATOM 493 CG GLU A 35 11.297 18.173 0.059 1.00 0.00 C ATOM 494 CD GLU A 35 12.092 19.406 0.442 1.00 0.00 C ATOM 495 OE1 GLU A 35 12.754 19.379 1.500 1.00 0.00 O ATOM 496 OE2 GLU A 35 12.050 20.398 -0.315 1.00 0.00 O ATOM 0 H GLU A 35 9.338 18.174 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 35 9.441 16.134 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.495 19.103 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.093 17.836 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.872 17.282 0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.150 18.161 -1.021 1.00 0.00 H new ATOM 503 N SER A 36 7.498 15.871 1.573 1.00 0.00 N ATOM 504 CA SER A 36 6.318 15.649 2.400 1.00 0.00 C ATOM 505 C SER A 36 6.296 16.610 3.585 1.00 0.00 C ATOM 506 O SER A 36 7.252 17.350 3.816 1.00 0.00 O ATOM 507 CB SER A 36 6.284 14.204 2.901 1.00 0.00 C ATOM 508 OG SER A 36 5.902 13.314 1.866 1.00 0.00 O ATOM 0 H SER A 36 8.136 15.077 1.527 1.00 0.00 H new ATOM 0 HA SER A 36 5.436 15.835 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.267 13.924 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.585 14.121 3.733 1.00 0.00 H new ATOM 0 HG SER A 36 5.376 12.578 2.244 1.00 0.00 H new ATOM 514 N ALA A 37 5.197 16.593 4.333 1.00 0.00 N ATOM 515 CA ALA A 37 5.050 17.461 5.495 1.00 0.00 C ATOM 516 C ALA A 37 5.046 16.651 6.787 1.00 0.00 C ATOM 517 O ALA A 37 5.192 15.429 6.766 1.00 0.00 O ATOM 518 CB ALA A 37 3.776 18.284 5.381 1.00 0.00 C ATOM 0 H ALA A 37 4.396 15.988 4.155 1.00 0.00 H new ATOM 0 HA ALA A 37 5.904 18.137 5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.679 18.927 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.819 18.898 4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.916 17.617 5.324 1.00 0.00 H new ATOM 524 N SER A 38 4.878 17.341 7.911 1.00 0.00 N ATOM 525 CA SER A 38 4.860 16.686 9.214 1.00 0.00 C ATOM 526 C SER A 38 3.593 15.853 9.385 1.00 0.00 C ATOM 527 O SER A 38 3.536 14.956 10.227 1.00 0.00 O ATOM 528 CB SER A 38 4.955 17.726 10.332 1.00 0.00 C ATOM 529 OG SER A 38 5.227 17.110 11.579 1.00 0.00 O ATOM 0 H SER A 38 4.753 18.353 7.945 1.00 0.00 H new ATOM 0 HA SER A 38 5.722 16.021 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.741 18.445 10.099 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.021 18.284 10.394 1.00 0.00 H new ATOM 0 HG SER A 38 5.284 17.796 12.277 1.00 0.00 H new ATOM 535 N ASP A 39 2.581 16.155 8.580 1.00 0.00 N ATOM 536 CA ASP A 39 1.314 15.434 8.641 1.00 0.00 C ATOM 537 C ASP A 39 1.522 13.947 8.371 1.00 0.00 C ATOM 538 O ASP A 39 2.346 13.550 7.547 1.00 0.00 O ATOM 539 CB ASP A 39 0.324 16.015 7.630 1.00 0.00 C ATOM 540 CG ASP A 39 -0.507 17.140 8.215 1.00 0.00 C ATOM 541 OD1 ASP A 39 -1.255 16.885 9.182 1.00 0.00 O ATOM 542 OD2 ASP A 39 -0.410 18.275 7.705 1.00 0.00 O ATOM 0 H ASP A 39 2.613 16.894 7.877 1.00 0.00 H new ATOM 0 HA ASP A 39 0.906 15.549 9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.870 16.384 6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.338 15.224 7.278 1.00 0.00 H new ATOM 547 N PRO A 40 0.760 13.104 9.083 1.00 0.00 N ATOM 548 CA PRO A 40 0.842 11.648 8.939 1.00 0.00 C ATOM 549 C PRO A 40 0.296 11.166 7.599 1.00 0.00 C ATOM 550 O PRO A 40 0.094 11.958 6.680 1.00 0.00 O ATOM 551 CB PRO A 40 -0.025 11.128 10.088 1.00 0.00 C ATOM 552 CG PRO A 40 -0.985 12.232 10.368 1.00 0.00 C ATOM 553 CD PRO A 40 -0.243 13.508 10.084 1.00 0.00 C ATOM 0 HA PRO A 40 1.872 11.293 8.970 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.546 10.212 9.808 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.578 10.896 10.966 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.871 12.148 9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.325 12.200 11.403 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.907 14.282 9.698 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.225 13.909 10.983 1.00 0.00 H new ATOM 561 N ALA A 41 0.059 9.862 7.497 1.00 0.00 N ATOM 562 CA ALA A 41 -0.466 9.276 6.270 1.00 0.00 C ATOM 563 C ALA A 41 -1.599 8.299 6.570 1.00 0.00 C ATOM 564 O ALA A 41 -1.523 7.519 7.518 1.00 0.00 O ATOM 565 CB ALA A 41 0.645 8.578 5.500 1.00 0.00 C ATOM 0 H ALA A 41 0.222 9.192 8.249 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.868 10.081 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.238 8.145 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.421 9.300 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.074 7.788 6.116 1.00 0.00 H new ATOM 571 N MET A 42 -2.648 8.349 5.755 1.00 0.00 N ATOM 572 CA MET A 42 -3.796 7.468 5.934 1.00 0.00 C ATOM 573 C MET A 42 -3.702 6.259 5.009 1.00 0.00 C ATOM 574 O MET A 42 -3.908 6.373 3.801 1.00 0.00 O ATOM 575 CB MET A 42 -5.096 8.229 5.668 1.00 0.00 C ATOM 576 CG MET A 42 -6.345 7.449 6.046 1.00 0.00 C ATOM 577 SD MET A 42 -7.768 8.517 6.340 1.00 0.00 S ATOM 578 CE MET A 42 -8.727 7.501 7.461 1.00 0.00 C ATOM 0 H MET A 42 -2.726 8.990 4.965 1.00 0.00 H new ATOM 0 HA MET A 42 -3.795 7.115 6.965 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.080 9.165 6.226 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.146 8.488 4.610 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.583 6.744 5.250 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.145 6.862 6.942 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.642 8.026 7.736 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.981 6.560 6.972 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.142 7.297 8.358 1.00 0.00 H new ATOM 588 N TRP A 43 -3.389 5.103 5.584 1.00 0.00 N ATOM 589 CA TRP A 43 -3.268 3.873 4.809 1.00 0.00 C ATOM 590 C TRP A 43 -4.512 3.005 4.968 1.00 0.00 C ATOM 591 O TRP A 43 -4.793 2.497 6.053 1.00 0.00 O ATOM 592 CB TRP A 43 -2.027 3.092 5.246 1.00 0.00 C ATOM 593 CG TRP A 43 -0.751 3.645 4.687 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.223 4.311 5.374 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.312 3.580 3.326 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.241 4.665 4.522 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.938 4.227 3.260 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.851 3.036 2.157 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.653 4.345 2.071 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.141 3.154 0.978 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.100 3.804 0.942 1.00 0.00 C ATOM 0 H TRP A 43 -3.215 4.992 6.583 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.168 4.143 3.758 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.970 3.094 6.334 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.132 2.053 4.934 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.197 4.528 6.432 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.086 5.172 4.786 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.806 2.532 2.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.610 4.845 2.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.549 2.738 0.069 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.631 3.880 0.004 1.00 0.00 H new ATOM 612 N THR A 44 -5.254 2.838 3.878 1.00 0.00 N ATOM 613 CA THR A 44 -6.469 2.033 3.896 1.00 0.00 C ATOM 614 C THR A 44 -6.351 0.839 2.956 1.00 0.00 C ATOM 615 O THR A 44 -6.042 0.994 1.774 1.00 0.00 O ATOM 616 CB THR A 44 -7.702 2.865 3.498 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.422 3.618 2.312 1.00 0.00 O ATOM 618 CG2 THR A 44 -8.103 3.809 4.621 1.00 0.00 C ATOM 0 H THR A 44 -5.035 3.250 2.971 1.00 0.00 H new ATOM 0 HA THR A 44 -6.596 1.677 4.918 1.00 0.00 H new ATOM 0 HB THR A 44 -8.529 2.181 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.767 3.136 1.765 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.976 4.386 4.317 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.343 3.231 5.514 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.278 4.487 4.839 1.00 0.00 H new ATOM 626 N VAL A 45 -6.600 -0.354 3.487 1.00 0.00 N ATOM 627 CA VAL A 45 -6.523 -1.575 2.695 1.00 0.00 C ATOM 628 C VAL A 45 -7.628 -2.552 3.081 1.00 0.00 C ATOM 629 O VAL A 45 -7.636 -3.091 4.187 1.00 0.00 O ATOM 630 CB VAL A 45 -5.158 -2.269 2.863 1.00 0.00 C ATOM 631 CG1 VAL A 45 -4.801 -2.396 4.336 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.167 -3.633 2.189 1.00 0.00 C ATOM 0 H VAL A 45 -6.857 -0.500 4.463 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.648 -1.283 1.652 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.397 -1.656 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.834 -2.889 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.751 -1.404 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.563 -2.987 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.195 -4.109 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.939 -4.257 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.374 -3.512 1.126 1.00 0.00 H new ATOM 642 N GLY A 46 -8.561 -2.776 2.161 1.00 0.00 N ATOM 643 CA GLY A 46 -9.659 -3.688 2.424 1.00 0.00 C ATOM 644 C GLY A 46 -10.882 -2.981 2.973 1.00 0.00 C ATOM 645 O GLY A 46 -12.010 -3.289 2.591 1.00 0.00 O ATOM 0 H GLY A 46 -8.576 -2.342 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.926 -4.206 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.333 -4.448 3.134 1.00 0.00 H new ATOM 649 N GLY A 47 -10.658 -2.029 3.874 1.00 0.00 N ATOM 650 CA GLY A 47 -11.761 -1.292 4.464 1.00 0.00 C ATOM 651 C GLY A 47 -11.559 -1.033 5.944 1.00 0.00 C ATOM 652 O GLY A 47 -12.507 -1.096 6.727 1.00 0.00 O ATOM 0 H GLY A 47 -9.733 -1.755 4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.878 -0.341 3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.686 -1.850 4.319 1.00 0.00 H new ATOM 656 N LYS A 48 -10.322 -0.741 6.329 1.00 0.00 N ATOM 657 CA LYS A 48 -9.997 -0.472 7.724 1.00 0.00 C ATOM 658 C LYS A 48 -8.700 0.321 7.838 1.00 0.00 C ATOM 659 O LYS A 48 -7.765 0.117 7.063 1.00 0.00 O ATOM 660 CB LYS A 48 -9.876 -1.784 8.503 1.00 0.00 C ATOM 661 CG LYS A 48 -8.858 -2.747 7.918 1.00 0.00 C ATOM 662 CD LYS A 48 -9.106 -4.172 8.382 1.00 0.00 C ATOM 663 CE LYS A 48 -8.670 -4.372 9.826 1.00 0.00 C ATOM 664 NZ LYS A 48 -7.245 -4.795 9.920 1.00 0.00 N ATOM 0 H LYS A 48 -9.527 -0.685 5.693 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.804 0.124 8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.602 -1.561 9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.851 -2.271 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.900 -2.705 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.854 -2.438 8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.166 -4.408 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.565 -4.865 7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.811 -3.444 10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.304 -5.124 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.985 -4.921 10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.115 -5.694 9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.638 -4.066 9.494 1.00 0.00 H new ATOM 678 N THR A 49 -8.648 1.226 8.811 1.00 0.00 N ATOM 679 CA THR A 49 -7.465 2.050 9.027 1.00 0.00 C ATOM 680 C THR A 49 -6.321 1.227 9.607 1.00 0.00 C ATOM 681 O THR A 49 -6.380 0.785 10.755 1.00 0.00 O ATOM 682 CB THR A 49 -7.766 3.228 9.972 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.970 3.887 9.565 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.615 4.223 9.978 1.00 0.00 C ATOM 0 H THR A 49 -9.412 1.407 9.462 1.00 0.00 H new ATOM 0 HA THR A 49 -7.170 2.442 8.053 1.00 0.00 H new ATOM 0 HB THR A 49 -7.891 2.834 10.981 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.155 4.634 10.172 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.850 5.047 10.652 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.706 3.726 10.315 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.464 4.611 8.971 1.00 0.00 H new ATOM 692 N VAL A 50 -5.278 1.024 8.807 1.00 0.00 N ATOM 693 CA VAL A 50 -4.118 0.256 9.243 1.00 0.00 C ATOM 694 C VAL A 50 -2.961 1.173 9.619 1.00 0.00 C ATOM 695 O VAL A 50 -2.749 2.212 8.994 1.00 0.00 O ATOM 696 CB VAL A 50 -3.650 -0.722 8.148 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.837 -1.454 7.542 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.864 0.017 7.075 1.00 0.00 C ATOM 0 H VAL A 50 -5.213 1.381 7.854 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.426 -0.312 10.121 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.992 -1.462 8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.486 -2.140 6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.354 -2.016 8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.523 -0.731 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.541 -0.689 6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.496 0.780 6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.991 0.490 7.524 1.00 0.00 H new ATOM 708 N GLY A 51 -2.212 0.782 10.645 1.00 0.00 N ATOM 709 CA GLY A 51 -1.083 1.580 11.087 1.00 0.00 C ATOM 710 C GLY A 51 -0.496 1.081 12.392 1.00 0.00 C ATOM 711 O GLY A 51 -1.227 0.779 13.335 1.00 0.00 O ATOM 0 H GLY A 51 -2.367 -0.074 11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.311 1.569 10.317 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.399 2.616 11.207 1.00 0.00 H new ATOM 715 N SER A 52 0.829 0.993 12.448 1.00 0.00 N ATOM 716 CA SER A 52 1.515 0.521 13.645 1.00 0.00 C ATOM 717 C SER A 52 0.969 -0.834 14.085 1.00 0.00 C ATOM 718 O SER A 52 0.861 -1.114 15.279 1.00 0.00 O ATOM 719 CB SER A 52 1.364 1.537 14.778 1.00 0.00 C ATOM 720 OG SER A 52 2.289 1.280 15.821 1.00 0.00 O ATOM 0 H SER A 52 1.449 1.243 11.678 1.00 0.00 H new ATOM 0 HA SER A 52 2.573 0.407 13.407 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.519 2.544 14.391 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.348 1.499 15.171 1.00 0.00 H new ATOM 0 HG SER A 52 2.201 0.349 16.114 1.00 0.00 H new ATOM 726 N SER A 53 0.627 -1.672 13.112 1.00 0.00 N ATOM 727 CA SER A 53 0.089 -2.996 13.397 1.00 0.00 C ATOM 728 C SER A 53 1.099 -4.082 13.039 1.00 0.00 C ATOM 729 O SER A 53 1.903 -3.919 12.122 1.00 0.00 O ATOM 730 CB SER A 53 -1.212 -3.219 12.624 1.00 0.00 C ATOM 731 OG SER A 53 -1.953 -4.296 13.170 1.00 0.00 O ATOM 0 H SER A 53 0.713 -1.457 12.119 1.00 0.00 H new ATOM 0 HA SER A 53 -0.117 -3.054 14.466 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.814 -2.310 12.649 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.986 -3.423 11.577 1.00 0.00 H new ATOM 0 HG SER A 53 -2.780 -4.416 12.659 1.00 0.00 H new ATOM 737 N SER A 54 1.051 -5.191 13.771 1.00 0.00 N ATOM 738 CA SER A 54 1.964 -6.303 13.535 1.00 0.00 C ATOM 739 C SER A 54 1.905 -6.753 12.078 1.00 0.00 C ATOM 740 O SER A 54 2.929 -7.074 11.474 1.00 0.00 O ATOM 741 CB SER A 54 1.623 -7.475 14.457 1.00 0.00 C ATOM 742 OG SER A 54 2.100 -7.246 15.771 1.00 0.00 O ATOM 0 H SER A 54 0.389 -5.343 14.532 1.00 0.00 H new ATOM 0 HA SER A 54 2.977 -5.963 13.752 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.543 -7.622 14.479 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.061 -8.392 14.062 1.00 0.00 H new ATOM 0 HG SER A 54 1.868 -8.009 16.341 1.00 0.00 H new ATOM 748 N ARG A 55 0.699 -6.775 11.520 1.00 0.00 N ATOM 749 CA ARG A 55 0.506 -7.187 10.135 1.00 0.00 C ATOM 750 C ARG A 55 0.867 -6.056 9.176 1.00 0.00 C ATOM 751 O ARG A 55 1.703 -6.224 8.288 1.00 0.00 O ATOM 752 CB ARG A 55 -0.943 -7.620 9.907 1.00 0.00 C ATOM 753 CG ARG A 55 -1.217 -9.063 10.300 1.00 0.00 C ATOM 754 CD ARG A 55 -2.476 -9.593 9.632 1.00 0.00 C ATOM 755 NE ARG A 55 -3.670 -8.872 10.065 1.00 0.00 N ATOM 756 CZ ARG A 55 -4.877 -9.070 9.547 1.00 0.00 C ATOM 757 NH1 ARG A 55 -5.049 -9.962 8.581 1.00 0.00 N ATOM 758 NH2 ARG A 55 -5.915 -8.375 9.994 1.00 0.00 N ATOM 0 H ARG A 55 -0.159 -6.512 12.006 1.00 0.00 H new ATOM 0 HA ARG A 55 1.166 -8.032 9.938 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.603 -6.966 10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.192 -7.485 8.854 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.366 -9.685 10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.321 -9.133 11.383 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.375 -9.510 8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.589 -10.653 9.861 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.572 -8.178 10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.253 -10.498 8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.977 -10.112 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.787 -7.687 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.841 -8.528 9.595 1.00 0.00 H new ATOM 772 N PHE A 56 0.230 -4.904 9.361 1.00 0.00 N ATOM 773 CA PHE A 56 0.482 -3.746 8.511 1.00 0.00 C ATOM 774 C PHE A 56 1.540 -2.838 9.131 1.00 0.00 C ATOM 775 O PHE A 56 1.367 -2.332 10.239 1.00 0.00 O ATOM 776 CB PHE A 56 -0.811 -2.961 8.286 1.00 0.00 C ATOM 777 CG PHE A 56 -1.837 -3.713 7.487 1.00 0.00 C ATOM 778 CD1 PHE A 56 -1.737 -3.794 6.107 1.00 0.00 C ATOM 779 CD2 PHE A 56 -2.901 -4.339 8.116 1.00 0.00 C ATOM 780 CE1 PHE A 56 -2.680 -4.485 5.370 1.00 0.00 C ATOM 781 CE2 PHE A 56 -3.847 -5.032 7.384 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.736 -5.106 6.009 1.00 0.00 C ATOM 0 H PHE A 56 -0.464 -4.748 10.092 1.00 0.00 H new ATOM 0 HA PHE A 56 0.853 -4.105 7.551 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.238 -2.695 9.253 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.576 -2.028 7.774 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.913 -3.312 5.602 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.992 -4.285 9.191 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.592 -4.540 4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.672 -5.515 7.887 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.473 -5.648 5.435 1.00 0.00 H new ATOM 792 N GLN A 57 2.637 -2.636 8.407 1.00 0.00 N ATOM 793 CA GLN A 57 3.723 -1.790 8.886 1.00 0.00 C ATOM 794 C GLN A 57 3.950 -0.611 7.945 1.00 0.00 C ATOM 795 O GLN A 57 4.397 -0.785 6.812 1.00 0.00 O ATOM 796 CB GLN A 57 5.011 -2.605 9.020 1.00 0.00 C ATOM 797 CG GLN A 57 6.222 -1.770 9.401 1.00 0.00 C ATOM 798 CD GLN A 57 6.076 -1.114 10.760 1.00 0.00 C ATOM 799 OE1 GLN A 57 5.832 -1.786 11.763 1.00 0.00 O ATOM 800 NE2 GLN A 57 6.223 0.205 10.800 1.00 0.00 N ATOM 0 H GLN A 57 2.796 -3.047 7.487 1.00 0.00 H new ATOM 0 HA GLN A 57 3.443 -1.402 9.865 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.864 -3.381 9.772 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.211 -3.110 8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.109 -2.403 9.401 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.380 -1.000 8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.425 0.722 9.944 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.134 0.701 11.687 1.00 0.00 H new ATOM 809 N ALA A 58 3.638 0.589 8.424 1.00 0.00 N ATOM 810 CA ALA A 58 3.809 1.797 7.626 1.00 0.00 C ATOM 811 C ALA A 58 5.058 2.562 8.050 1.00 0.00 C ATOM 812 O ALA A 58 5.126 3.099 9.157 1.00 0.00 O ATOM 813 CB ALA A 58 2.579 2.685 7.743 1.00 0.00 C ATOM 0 H ALA A 58 3.266 0.750 9.360 1.00 0.00 H new ATOM 0 HA ALA A 58 3.932 1.501 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.720 3.583 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.704 2.143 7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.431 2.966 8.786 1.00 0.00 H new ATOM 819 N THR A 59 6.048 2.609 7.163 1.00 0.00 N ATOM 820 CA THR A 59 7.296 3.307 7.446 1.00 0.00 C ATOM 821 C THR A 59 7.419 4.574 6.608 1.00 0.00 C ATOM 822 O THR A 59 6.512 4.920 5.851 1.00 0.00 O ATOM 823 CB THR A 59 8.516 2.406 7.178 1.00 0.00 C ATOM 824 OG1 THR A 59 8.633 2.145 5.775 1.00 0.00 O ATOM 825 CG2 THR A 59 8.396 1.092 7.935 1.00 0.00 C ATOM 0 H THR A 59 6.009 2.172 6.242 1.00 0.00 H new ATOM 0 HA THR A 59 7.277 3.575 8.502 1.00 0.00 H new ATOM 0 HB THR A 59 9.408 2.927 7.526 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.412 1.573 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.269 0.473 7.730 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.337 1.292 9.005 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.496 0.568 7.614 1.00 0.00 H new ATOM 833 N ARG A 60 8.547 5.263 6.748 1.00 0.00 N ATOM 834 CA ARG A 60 8.789 6.493 6.004 1.00 0.00 C ATOM 835 C ARG A 60 10.276 6.667 5.710 1.00 0.00 C ATOM 836 O ARG A 60 11.085 6.814 6.626 1.00 0.00 O ATOM 837 CB ARG A 60 8.268 7.699 6.787 1.00 0.00 C ATOM 838 CG ARG A 60 8.496 9.027 6.084 1.00 0.00 C ATOM 839 CD ARG A 60 8.396 10.195 7.053 1.00 0.00 C ATOM 840 NE ARG A 60 7.089 10.259 7.700 1.00 0.00 N ATOM 841 CZ ARG A 60 6.693 11.274 8.459 1.00 0.00 C ATOM 842 NH1 ARG A 60 7.501 12.305 8.666 1.00 0.00 N ATOM 843 NH2 ARG A 60 5.488 11.260 9.014 1.00 0.00 N ATOM 0 H ARG A 60 9.308 4.990 7.370 1.00 0.00 H new ATOM 0 HA ARG A 60 8.255 6.426 5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.200 7.571 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.754 7.726 7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.479 9.027 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.761 9.149 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.172 10.103 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.582 11.126 6.518 1.00 0.00 H new ATOM 0 HE ARG A 60 6.444 9.481 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.429 12.319 8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.195 13.084 9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.864 10.469 8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.186 12.041 9.597 1.00 0.00 H new ATOM 857 N GLN A 61 10.627 6.650 4.429 1.00 0.00 N ATOM 858 CA GLN A 61 12.017 6.805 4.015 1.00 0.00 C ATOM 859 C GLN A 61 12.118 7.656 2.754 1.00 0.00 C ATOM 860 O GLN A 61 11.586 7.294 1.705 1.00 0.00 O ATOM 861 CB GLN A 61 12.655 5.436 3.775 1.00 0.00 C ATOM 862 CG GLN A 61 12.542 4.495 4.963 1.00 0.00 C ATOM 863 CD GLN A 61 12.848 3.055 4.597 1.00 0.00 C ATOM 864 OE1 GLN A 61 12.671 2.643 3.451 1.00 0.00 O ATOM 865 NE2 GLN A 61 13.310 2.282 5.573 1.00 0.00 N ATOM 0 H GLN A 61 9.968 6.530 3.659 1.00 0.00 H new ATOM 0 HA GLN A 61 12.554 7.312 4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.184 4.972 2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.708 5.573 3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.227 4.820 5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.535 4.555 5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.441 2.666 6.509 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.533 1.304 5.387 1.00 0.00 H new ATOM 874 N GLY A 62 12.805 8.789 2.863 1.00 0.00 N ATOM 875 CA GLY A 62 12.963 9.674 1.723 1.00 0.00 C ATOM 876 C GLY A 62 11.639 10.220 1.225 1.00 0.00 C ATOM 877 O GLY A 62 11.166 9.838 0.155 1.00 0.00 O ATOM 0 H GLY A 62 13.255 9.110 3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.614 10.504 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.458 9.135 0.915 1.00 0.00 H new ATOM 881 N ARG A 63 11.039 11.114 2.004 1.00 0.00 N ATOM 882 CA ARG A 63 9.761 11.711 1.637 1.00 0.00 C ATOM 883 C ARG A 63 8.866 10.692 0.938 1.00 0.00 C ATOM 884 O ARG A 63 8.086 11.040 0.050 1.00 0.00 O ATOM 885 CB ARG A 63 9.981 12.922 0.728 1.00 0.00 C ATOM 886 CG ARG A 63 10.860 12.627 -0.476 1.00 0.00 C ATOM 887 CD ARG A 63 10.758 13.726 -1.522 1.00 0.00 C ATOM 888 NE ARG A 63 11.579 13.442 -2.696 1.00 0.00 N ATOM 889 CZ ARG A 63 12.876 13.718 -2.771 1.00 0.00 C ATOM 890 NH1 ARG A 63 13.497 14.283 -1.745 1.00 0.00 N ATOM 891 NH2 ARG A 63 13.555 13.430 -3.874 1.00 0.00 N ATOM 0 H ARG A 63 11.417 11.441 2.893 1.00 0.00 H new ATOM 0 HA ARG A 63 9.265 12.038 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.014 13.286 0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.434 13.725 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.896 12.524 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.567 11.675 -0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.718 13.841 -1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.069 14.674 -1.083 1.00 0.00 H new ATOM 0 HE ARG A 63 11.131 13.008 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.979 14.507 -0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.493 14.494 -1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.081 12.996 -4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 63 14.551 13.643 -3.930 1.00 0.00 H new ATOM 905 N LYS A 64 8.983 9.432 1.343 1.00 0.00 N ATOM 906 CA LYS A 64 8.185 8.362 0.757 1.00 0.00 C ATOM 907 C LYS A 64 7.719 7.382 1.828 1.00 0.00 C ATOM 908 O LYS A 64 8.517 6.899 2.632 1.00 0.00 O ATOM 909 CB LYS A 64 8.994 7.621 -0.310 1.00 0.00 C ATOM 910 CG LYS A 64 8.322 6.355 -0.813 1.00 0.00 C ATOM 911 CD LYS A 64 9.173 5.648 -1.854 1.00 0.00 C ATOM 912 CE LYS A 64 10.609 5.482 -1.382 1.00 0.00 C ATOM 913 NZ LYS A 64 11.445 6.666 -1.723 1.00 0.00 N ATOM 0 H LYS A 64 9.624 9.127 2.076 1.00 0.00 H new ATOM 0 HA LYS A 64 7.307 8.810 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.167 8.290 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.971 7.365 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.137 5.683 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.351 6.603 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.745 4.669 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.158 6.216 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.621 5.327 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.040 4.590 -1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.211 6.377 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.856 7.384 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.853 7.065 -0.853 1.00 0.00 H new ATOM 927 N TYR A 65 6.423 7.091 1.834 1.00 0.00 N ATOM 928 CA TYR A 65 5.850 6.169 2.807 1.00 0.00 C ATOM 929 C TYR A 65 5.743 4.762 2.228 1.00 0.00 C ATOM 930 O TYR A 65 5.300 4.578 1.094 1.00 0.00 O ATOM 931 CB TYR A 65 4.470 6.656 3.252 1.00 0.00 C ATOM 932 CG TYR A 65 4.414 8.140 3.538 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.099 9.049 2.535 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.677 8.633 4.810 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.047 10.405 2.791 1.00 0.00 C ATOM 936 CE2 TYR A 65 4.626 9.987 5.075 1.00 0.00 C ATOM 937 CZ TYR A 65 4.311 10.870 4.063 1.00 0.00 C ATOM 938 OH TYR A 65 4.261 12.220 4.323 1.00 0.00 O ATOM 0 H TYR A 65 5.749 7.481 1.175 1.00 0.00 H new ATOM 0 HA TYR A 65 6.513 6.137 3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.742 6.416 2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.173 6.111 4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.891 8.689 1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.926 7.945 5.605 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.801 11.098 2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.832 10.353 6.070 1.00 0.00 H new ATOM 0 HH TYR A 65 4.471 12.379 5.267 1.00 0.00 H new ATOM 948 N ILE A 66 6.152 3.773 3.015 1.00 0.00 N ATOM 949 CA ILE A 66 6.101 2.382 2.582 1.00 0.00 C ATOM 950 C ILE A 66 5.201 1.555 3.493 1.00 0.00 C ATOM 951 O ILE A 66 5.495 1.373 4.676 1.00 0.00 O ATOM 952 CB ILE A 66 7.505 1.749 2.554 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.427 2.542 1.626 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.422 0.295 2.112 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.156 3.671 2.319 1.00 0.00 C ATOM 0 H ILE A 66 6.522 3.909 3.956 1.00 0.00 H new ATOM 0 HA ILE A 66 5.691 2.381 1.572 1.00 0.00 H new ATOM 0 HB ILE A 66 7.921 1.779 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.158 1.863 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.838 2.951 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.422 -0.138 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.795 -0.262 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.989 0.243 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.791 4.189 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.431 4.371 2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.772 3.267 3.123 1.00 0.00 H new ATOM 967 N LEU A 67 4.103 1.054 2.936 1.00 0.00 N ATOM 968 CA LEU A 67 3.160 0.243 3.698 1.00 0.00 C ATOM 969 C LEU A 67 3.318 -1.236 3.363 1.00 0.00 C ATOM 970 O LEU A 67 2.693 -1.743 2.431 1.00 0.00 O ATOM 971 CB LEU A 67 1.725 0.692 3.413 1.00 0.00 C ATOM 972 CG LEU A 67 0.623 -0.093 4.124 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.436 0.417 5.545 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.682 -0.003 3.347 1.00 0.00 C ATOM 0 H LEU A 67 3.844 1.195 1.960 1.00 0.00 H new ATOM 0 HA LEU A 67 3.374 0.381 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.632 1.742 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.553 0.630 2.339 1.00 0.00 H new ATOM 0 HG LEU A 67 0.922 -1.140 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.353 -0.154 6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.367 0.300 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.159 1.471 5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.455 -0.568 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.987 1.041 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.540 -0.417 2.349 1.00 0.00 H new ATOM 986 N VAL A 68 4.157 -1.925 4.130 1.00 0.00 N ATOM 987 CA VAL A 68 4.395 -3.348 3.917 1.00 0.00 C ATOM 988 C VAL A 68 3.204 -4.179 4.378 1.00 0.00 C ATOM 989 O VAL A 68 2.760 -4.067 5.521 1.00 0.00 O ATOM 990 CB VAL A 68 5.658 -3.823 4.660 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.898 -5.304 4.412 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.866 -3.001 4.237 1.00 0.00 C ATOM 0 H VAL A 68 4.683 -1.521 4.905 1.00 0.00 H new ATOM 0 HA VAL A 68 4.539 -3.488 2.846 1.00 0.00 H new ATOM 0 HB VAL A 68 5.505 -3.678 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.794 -5.622 4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.042 -5.876 4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.030 -5.477 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.749 -3.350 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.024 -3.112 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.692 -1.951 4.471 1.00 0.00 H new ATOM 1002 N VAL A 69 2.690 -5.016 3.482 1.00 0.00 N ATOM 1003 CA VAL A 69 1.550 -5.869 3.797 1.00 0.00 C ATOM 1004 C VAL A 69 1.991 -7.309 4.032 1.00 0.00 C ATOM 1005 O VAL A 69 2.640 -7.917 3.181 1.00 0.00 O ATOM 1006 CB VAL A 69 0.501 -5.841 2.670 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.663 -6.763 3.002 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.014 -4.420 2.430 1.00 0.00 C ATOM 0 H VAL A 69 3.045 -5.121 2.532 1.00 0.00 H new ATOM 0 HA VAL A 69 1.102 -5.476 4.710 1.00 0.00 H new ATOM 0 HB VAL A 69 0.968 -6.200 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.395 -6.731 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.297 -7.783 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.132 -6.437 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.727 -4.419 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.437 -4.031 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.856 -3.790 2.145 1.00 0.00 H new ATOM 1018 N ARG A 70 1.632 -7.850 5.191 1.00 0.00 N ATOM 1019 CA ARG A 70 1.991 -9.220 5.539 1.00 0.00 C ATOM 1020 C ARG A 70 0.768 -10.130 5.494 1.00 0.00 C ATOM 1021 O ARG A 70 -0.366 -9.668 5.619 1.00 0.00 O ATOM 1022 CB ARG A 70 2.624 -9.266 6.931 1.00 0.00 C ATOM 1023 CG ARG A 70 3.715 -8.228 7.140 1.00 0.00 C ATOM 1024 CD ARG A 70 5.061 -8.727 6.638 1.00 0.00 C ATOM 1025 NE ARG A 70 5.737 -9.563 7.626 1.00 0.00 N ATOM 1026 CZ ARG A 70 7.053 -9.741 7.662 1.00 0.00 C ATOM 1027 NH1 ARG A 70 7.830 -9.143 6.769 1.00 0.00 N ATOM 1028 NH2 ARG A 70 7.594 -10.517 8.591 1.00 0.00 N ATOM 0 H ARG A 70 1.093 -7.361 5.905 1.00 0.00 H new ATOM 0 HA ARG A 70 2.715 -9.577 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.846 -9.118 7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.042 -10.259 7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.449 -7.309 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.788 -7.984 8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.917 -9.296 5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.694 -7.875 6.390 1.00 0.00 H new ATOM 0 HE ARG A 70 5.167 -10.036 8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.417 -8.545 6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.840 -9.281 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.000 -10.978 9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.605 -10.653 8.617 1.00 0.00 H new ATOM 1042 N GLU A 71 1.006 -11.425 5.314 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.077 -12.400 5.251 1.00 0.00 C ATOM 1044 C GLU A 71 -1.138 -11.969 4.243 1.00 0.00 C ATOM 1045 O GLU A 71 -2.324 -11.901 4.565 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.712 -12.579 6.631 1.00 0.00 C ATOM 1047 CG GLU A 71 0.007 -13.594 7.505 1.00 0.00 C ATOM 1048 CD GLU A 71 1.444 -13.203 7.791 1.00 0.00 C ATOM 1049 OE1 GLU A 71 1.718 -11.990 7.905 1.00 0.00 O ATOM 1050 OE2 GLU A 71 2.295 -14.111 7.900 1.00 0.00 O ATOM 0 H GLU A 71 1.939 -11.824 5.209 1.00 0.00 H new ATOM 0 HA GLU A 71 0.343 -13.352 4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.726 -11.617 7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.750 -12.889 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.531 -13.702 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.010 -14.567 7.014 1.00 0.00 H new ATOM 1057 N ALA A 72 -0.703 -11.678 3.022 1.00 0.00 N ATOM 1058 CA ALA A 72 -1.614 -11.255 1.966 1.00 0.00 C ATOM 1059 C ALA A 72 -2.793 -12.214 1.842 1.00 0.00 C ATOM 1060 O ALA A 72 -2.613 -13.402 1.578 1.00 0.00 O ATOM 1061 CB ALA A 72 -0.875 -11.150 0.640 1.00 0.00 C ATOM 0 H ALA A 72 0.276 -11.728 2.739 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.004 -10.272 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.569 -10.833 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.071 -10.420 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.456 -12.122 0.379 1.00 0.00 H new ATOM 1067 N ALA A 73 -3.999 -11.690 2.033 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.208 -12.500 1.941 1.00 0.00 C ATOM 1069 C ALA A 73 -6.124 -11.995 0.832 1.00 0.00 C ATOM 1070 O ALA A 73 -6.027 -10.851 0.386 1.00 0.00 O ATOM 1071 CB ALA A 73 -5.942 -12.505 3.274 1.00 0.00 C ATOM 0 H ALA A 73 -4.165 -10.708 2.252 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.914 -13.521 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.843 -13.113 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.293 -12.920 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.217 -11.485 3.542 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.036 -12.865 0.374 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.987 -12.529 -0.689 1.00 0.00 C ATOM 1079 C PRO A 74 -9.036 -11.522 -0.232 1.00 0.00 C ATOM 1080 O PRO A 74 -9.638 -10.824 -1.048 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.643 -13.873 -1.016 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.505 -14.675 0.232 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.208 -14.245 0.860 1.00 0.00 C ATOM 0 HA PRO A 74 -7.496 -12.060 -1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.690 -13.746 -1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.149 -14.361 -1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.343 -14.496 0.906 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.496 -15.742 0.011 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.255 -14.285 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.381 -14.885 0.553 1.00 0.00 H new ATOM 1091 N SER A 75 -9.249 -11.450 1.078 1.00 0.00 N ATOM 1092 CA SER A 75 -10.228 -10.529 1.644 1.00 0.00 C ATOM 1093 C SER A 75 -9.674 -9.108 1.691 1.00 0.00 C ATOM 1094 O SER A 75 -10.415 -8.148 1.900 1.00 0.00 O ATOM 1095 CB SER A 75 -10.629 -10.978 3.051 1.00 0.00 C ATOM 1096 OG SER A 75 -11.725 -10.222 3.535 1.00 0.00 O ATOM 0 H SER A 75 -8.757 -12.018 1.767 1.00 0.00 H new ATOM 0 HA SER A 75 -11.109 -10.536 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.891 -12.036 3.038 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.781 -10.868 3.727 1.00 0.00 H new ATOM 0 HG SER A 75 -11.730 -9.341 3.106 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.366 -8.983 1.494 1.00 0.00 N ATOM 1103 CA ASP A 76 -7.712 -7.681 1.511 1.00 0.00 C ATOM 1104 C ASP A 76 -7.590 -7.114 0.100 1.00 0.00 C ATOM 1105 O ASP A 76 -7.287 -5.935 -0.082 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.327 -7.791 2.152 1.00 0.00 C ATOM 1107 CG ASP A 76 -6.375 -8.416 3.532 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.453 -8.381 4.162 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -5.335 -8.941 3.982 1.00 0.00 O ATOM 0 H ASP A 76 -7.738 -9.768 1.321 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.325 -7.002 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.679 -8.387 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.882 -6.798 2.221 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.826 -7.963 -0.895 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.744 -7.547 -2.289 1.00 0.00 C ATOM 1116 C ALA A 77 -9.005 -6.804 -2.716 1.00 0.00 C ATOM 1117 O ALA A 77 -10.116 -7.315 -2.575 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.509 -8.753 -3.187 1.00 0.00 C ATOM 0 H ALA A 77 -8.075 -8.943 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.901 -6.864 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.450 -8.427 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.575 -9.240 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.333 -9.457 -3.074 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.827 -5.595 -3.239 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.960 -4.802 -3.678 1.00 0.00 C ATOM 1126 C GLY A 78 -9.543 -3.458 -4.243 1.00 0.00 C ATOM 1127 O GLY A 78 -9.422 -3.300 -5.457 1.00 0.00 O ATOM 0 H GLY A 78 -7.918 -5.150 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.515 -5.355 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.637 -4.645 -2.838 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.325 -2.488 -3.361 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.922 -1.151 -3.780 1.00 0.00 C ATOM 1133 C GLU A 79 -8.025 -0.499 -2.733 1.00 0.00 C ATOM 1134 O GLU A 79 -8.494 -0.062 -1.682 1.00 0.00 O ATOM 1135 CB GLU A 79 -10.154 -0.278 -4.028 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.826 1.081 -4.625 1.00 0.00 C ATOM 1137 CD GLU A 79 -11.062 1.925 -4.868 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -11.648 2.416 -3.880 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -11.444 2.094 -6.045 1.00 0.00 O ATOM 0 H GLU A 79 -9.421 -2.603 -2.352 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.358 -1.244 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.834 -0.805 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.683 -0.134 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.152 1.615 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.295 0.941 -5.567 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.730 -0.439 -3.026 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.765 0.160 -2.111 1.00 0.00 C ATOM 1148 C VAL A 80 -5.698 1.671 -2.295 1.00 0.00 C ATOM 1149 O VAL A 80 -5.227 2.162 -3.321 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.358 -0.434 -2.311 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.399 0.098 -1.257 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.412 -1.954 -2.275 1.00 0.00 C ATOM 0 H VAL A 80 -6.324 -0.798 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.106 -0.065 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.989 -0.129 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.410 -0.333 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.339 1.184 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.760 -0.175 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.409 -2.357 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.801 -2.282 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.065 -2.314 -3.071 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.171 2.406 -1.293 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.163 3.863 -1.343 1.00 0.00 C ATOM 1164 C VAL A 81 -5.032 4.436 -0.497 1.00 0.00 C ATOM 1165 O VAL A 81 -4.694 3.894 0.556 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.502 4.449 -0.855 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.380 5.949 -0.635 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.612 4.136 -1.847 1.00 0.00 C ATOM 0 H VAL A 81 -6.565 2.016 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.011 4.143 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.756 3.986 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.335 6.345 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.614 6.146 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.103 6.433 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.551 4.557 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.367 4.571 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.714 3.056 -1.949 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.450 5.536 -0.963 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.355 6.183 -0.249 1.00 0.00 C ATOM 1180 C PHE A 82 -3.513 7.700 -0.272 1.00 0.00 C ATOM 1181 O PHE A 82 -3.390 8.332 -1.321 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.012 5.789 -0.867 1.00 0.00 C ATOM 1183 CG PHE A 82 -0.896 6.736 -0.529 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -0.637 7.837 -1.329 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.107 6.525 0.590 1.00 0.00 C ATOM 1186 CE1 PHE A 82 0.390 8.709 -1.020 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.921 7.394 0.905 1.00 0.00 C ATOM 1188 CZ PHE A 82 1.169 8.488 0.099 1.00 0.00 C ATOM 0 H PHE A 82 -4.718 5.998 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.382 5.848 0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.744 4.788 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.120 5.739 -1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.244 8.016 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.297 5.671 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.583 9.562 -1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.529 7.218 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.971 9.169 0.343 1.00 0.00 H new ATOM 1198 N SER A 83 -3.787 8.278 0.893 1.00 0.00 N ATOM 1199 CA SER A 83 -3.966 9.721 1.007 1.00 0.00 C ATOM 1200 C SER A 83 -2.947 10.320 1.971 1.00 0.00 C ATOM 1201 O SER A 83 -2.400 9.624 2.827 1.00 0.00 O ATOM 1202 CB SER A 83 -5.385 10.044 1.481 1.00 0.00 C ATOM 1203 OG SER A 83 -5.850 9.069 2.398 1.00 0.00 O ATOM 0 H SER A 83 -3.890 7.770 1.771 1.00 0.00 H new ATOM 0 HA SER A 83 -3.810 10.161 0.022 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.400 11.027 1.952 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.056 10.091 0.624 1.00 0.00 H new ATOM 0 HG SER A 83 -6.758 9.299 2.687 1.00 0.00 H new ATOM 1209 N VAL A 84 -2.697 11.618 1.826 1.00 0.00 N ATOM 1210 CA VAL A 84 -1.744 12.313 2.684 1.00 0.00 C ATOM 1211 C VAL A 84 -2.010 13.814 2.696 1.00 0.00 C ATOM 1212 O VAL A 84 -2.024 14.461 1.648 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.294 12.063 2.230 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.136 12.376 0.750 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.675 12.888 3.064 1.00 0.00 C ATOM 0 H VAL A 84 -3.141 12.209 1.123 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.875 11.915 3.690 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.061 11.009 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.895 12.193 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.803 11.738 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.387 13.421 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.695 12.699 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.445 13.947 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.580 12.610 4.114 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.219 14.363 3.888 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.485 15.789 4.037 1.00 0.00 C ATOM 1227 C ARG A 85 -3.519 16.259 3.017 1.00 0.00 C ATOM 1228 O ARG A 85 -3.495 17.407 2.578 1.00 0.00 O ATOM 1229 CB ARG A 85 -1.192 16.590 3.874 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.564 16.461 2.495 1.00 0.00 C ATOM 1231 CD ARG A 85 0.583 17.442 2.311 1.00 0.00 C ATOM 1232 NE ARG A 85 0.258 18.767 2.831 1.00 0.00 N ATOM 1233 CZ ARG A 85 1.173 19.668 3.169 1.00 0.00 C ATOM 1234 NH1 ARG A 85 2.463 19.388 3.042 1.00 0.00 N ATOM 1235 NH2 ARG A 85 0.800 20.853 3.635 1.00 0.00 N ATOM 0 H ARG A 85 -2.209 13.842 4.765 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.885 15.956 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.399 17.642 4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.473 16.259 4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.200 15.443 2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.321 16.638 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.470 17.061 2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.828 17.518 1.252 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.726 19.014 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.755 18.479 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.164 20.082 3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.191 21.073 3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.504 21.544 3.894 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.425 15.360 2.644 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.454 15.701 1.679 1.00 0.00 C ATOM 1251 C GLY A 86 -5.439 14.788 0.469 1.00 0.00 C ATOM 1252 O GLY A 86 -6.376 14.019 0.251 1.00 0.00 O ATOM 0 H GLY A 86 -4.465 14.402 2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.431 15.646 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.316 16.732 1.354 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.375 14.873 -0.321 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.242 14.048 -1.517 1.00 0.00 C ATOM 1258 C LEU A 87 -4.765 12.638 -1.267 1.00 0.00 C ATOM 1259 O LEU A 87 -4.799 12.168 -0.129 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.780 13.991 -1.961 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.293 15.158 -2.822 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.785 15.092 -3.007 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.999 15.156 -4.170 1.00 0.00 C ATOM 0 H LEU A 87 -3.592 15.505 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.838 14.501 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.153 13.936 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.626 13.066 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.534 16.089 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.457 15.930 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.296 15.143 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.519 14.156 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.641 15.993 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.789 14.221 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.074 15.253 -4.018 1.00 0.00 H new ATOM 1275 N THR A 88 -5.171 11.963 -2.339 1.00 0.00 N ATOM 1276 CA THR A 88 -5.691 10.606 -2.236 1.00 0.00 C ATOM 1277 C THR A 88 -5.636 9.893 -3.582 1.00 0.00 C ATOM 1278 O THR A 88 -6.194 10.368 -4.571 1.00 0.00 O ATOM 1279 CB THR A 88 -7.143 10.598 -1.723 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.297 11.560 -0.673 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.530 9.218 -1.213 1.00 0.00 C ATOM 0 H THR A 88 -5.149 12.335 -3.288 1.00 0.00 H new ATOM 0 HA THR A 88 -5.058 10.079 -1.522 1.00 0.00 H new ATOM 0 HB THR A 88 -7.799 10.858 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.223 11.550 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.560 9.238 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.440 8.493 -2.022 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.868 8.933 -0.395 1.00 0.00 H new ATOM 1289 N SER A 89 -4.959 8.749 -3.613 1.00 0.00 N ATOM 1290 CA SER A 89 -4.829 7.971 -4.840 1.00 0.00 C ATOM 1291 C SER A 89 -5.693 6.716 -4.782 1.00 0.00 C ATOM 1292 O SER A 89 -6.381 6.466 -3.791 1.00 0.00 O ATOM 1293 CB SER A 89 -3.366 7.587 -5.072 1.00 0.00 C ATOM 1294 OG SER A 89 -2.671 8.616 -5.755 1.00 0.00 O ATOM 0 H SER A 89 -4.492 8.341 -2.803 1.00 0.00 H new ATOM 0 HA SER A 89 -5.172 8.588 -5.671 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.882 7.390 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.316 6.664 -5.650 1.00 0.00 H new ATOM 0 HG SER A 89 -1.738 8.347 -5.890 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.653 5.927 -5.850 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.430 4.696 -5.923 1.00 0.00 C ATOM 1302 C LYS A 90 -5.665 3.613 -6.677 1.00 0.00 C ATOM 1303 O LYS A 90 -4.930 3.902 -7.621 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.773 4.956 -6.608 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.676 5.904 -5.837 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.569 5.155 -4.863 1.00 0.00 C ATOM 1307 CE LYS A 90 -10.430 6.110 -4.050 1.00 0.00 C ATOM 1308 NZ LYS A 90 -9.632 7.234 -3.487 1.00 0.00 N ATOM 0 H LYS A 90 -5.090 6.119 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.609 4.349 -4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.591 5.368 -7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.291 4.007 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.067 6.626 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.292 6.470 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.209 4.464 -5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.955 4.556 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.225 6.509 -4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.911 5.564 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.175 7.702 -2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.742 6.866 -3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.421 7.921 -4.239 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.843 2.366 -6.254 1.00 0.00 N ATOM 1323 CA ALA A 91 -5.171 1.240 -6.892 1.00 0.00 C ATOM 1324 C ALA A 91 -5.892 -0.070 -6.593 1.00 0.00 C ATOM 1325 O ALA A 91 -6.837 -0.104 -5.804 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.722 1.163 -6.436 1.00 0.00 C ATOM 0 H ALA A 91 -6.447 2.110 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.193 1.399 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.233 0.318 -6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.206 2.084 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.687 1.031 -5.355 1.00 0.00 H new ATOM 1332 N SER A 92 -5.441 -1.147 -7.228 1.00 0.00 N ATOM 1333 CA SER A 92 -6.047 -2.459 -7.033 1.00 0.00 C ATOM 1334 C SER A 92 -4.982 -3.509 -6.730 1.00 0.00 C ATOM 1335 O SER A 92 -3.869 -3.450 -7.253 1.00 0.00 O ATOM 1336 CB SER A 92 -6.842 -2.867 -8.275 1.00 0.00 C ATOM 1337 OG SER A 92 -8.132 -2.280 -8.270 1.00 0.00 O ATOM 0 H SER A 92 -4.658 -1.137 -7.882 1.00 0.00 H new ATOM 0 HA SER A 92 -6.724 -2.396 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.303 -2.561 -9.172 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.933 -3.953 -8.312 1.00 0.00 H new ATOM 0 HG SER A 92 -8.604 -2.535 -7.450 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.332 -4.469 -5.882 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.408 -5.534 -5.507 1.00 0.00 C ATOM 1345 C LEU A 93 -4.989 -6.903 -5.845 1.00 0.00 C ATOM 1346 O LEU A 93 -6.160 -7.174 -5.580 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.089 -5.457 -4.013 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.478 -6.714 -3.392 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.098 -6.980 -3.974 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.403 -6.578 -1.878 1.00 0.00 C ATOM 0 H LEU A 93 -6.249 -4.532 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.488 -5.400 -6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.403 -4.625 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.008 -5.221 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.120 -7.562 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.679 -7.878 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.179 -7.122 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.446 -6.131 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.966 -7.481 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.784 -5.719 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.406 -6.436 -1.475 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.162 -7.763 -6.430 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.593 -9.105 -6.801 1.00 0.00 C ATOM 1364 C ILE A 94 -3.974 -10.155 -5.884 1.00 0.00 C ATOM 1365 O ILE A 94 -2.753 -10.231 -5.745 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.222 -9.433 -8.260 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -5.003 -8.534 -9.221 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.493 -10.899 -8.559 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.295 -7.238 -9.546 1.00 0.00 C ATOM 0 H ILE A 94 -3.190 -7.554 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.678 -9.127 -6.696 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.157 -9.245 -8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.188 -9.079 -10.146 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.976 -8.308 -8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.226 -11.115 -9.593 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.897 -11.522 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.551 -11.112 -8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.906 -6.652 -10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.134 -6.672 -8.629 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.334 -7.455 -10.012 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.825 -10.963 -5.260 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.362 -12.011 -4.357 1.00 0.00 C ATOM 1383 C VAL A 95 -4.968 -13.360 -4.725 1.00 0.00 C ATOM 1384 O VAL A 95 -6.158 -13.597 -4.514 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.712 -11.685 -2.893 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.429 -12.882 -1.998 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -3.942 -10.462 -2.421 1.00 0.00 C ATOM 0 H VAL A 95 -5.839 -10.912 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.278 -12.063 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.777 -11.460 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.682 -12.634 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.030 -13.731 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.372 -13.141 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.202 -10.246 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.872 -10.655 -2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.200 -9.606 -3.045 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.142 -14.243 -5.277 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.597 -15.570 -5.676 1.00 0.00 C ATOM 1399 C ARG A 96 -4.196 -16.616 -4.640 1.00 0.00 C ATOM 1400 O ARG A 96 -3.034 -16.696 -4.243 1.00 0.00 O ATOM 1401 CB ARG A 96 -4.018 -15.942 -7.042 1.00 0.00 C ATOM 1402 CG ARG A 96 -4.806 -15.377 -8.212 1.00 0.00 C ATOM 1403 CD ARG A 96 -4.594 -13.877 -8.355 1.00 0.00 C ATOM 1404 NE ARG A 96 -5.171 -13.359 -9.593 1.00 0.00 N ATOM 1405 CZ ARG A 96 -6.476 -13.214 -9.791 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -7.336 -13.546 -8.838 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -6.924 -12.735 -10.945 1.00 0.00 N ATOM 0 H ARG A 96 -3.154 -14.064 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.685 -15.548 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.990 -15.585 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.983 -17.028 -7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.503 -15.878 -9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.867 -15.584 -8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.042 -13.365 -7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.526 -13.658 -8.333 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.537 -13.094 -10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.996 -13.914 -7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.338 -13.433 -8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.266 -12.478 -11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.927 -12.624 -11.096 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.166 -17.414 -4.206 1.00 0.00 N ATOM 1422 CA GLU A 97 -4.914 -18.454 -3.215 1.00 0.00 C ATOM 1423 C GLU A 97 -3.854 -19.433 -3.712 1.00 0.00 C ATOM 1424 O GLU A 97 -3.940 -19.945 -4.828 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.206 -19.206 -2.892 1.00 0.00 C ATOM 1426 CG GLU A 97 -6.820 -19.906 -4.093 1.00 0.00 C ATOM 1427 CD GLU A 97 -8.297 -20.195 -3.908 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -9.113 -19.278 -4.136 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -8.637 -21.337 -3.535 1.00 0.00 O ATOM 0 H GLU A 97 -6.133 -17.361 -4.525 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.545 -17.974 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.002 -19.945 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.932 -18.504 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.683 -19.286 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.290 -20.841 -4.273 1.00 0.00 H new ATOM 1436 N ARG A 98 -2.853 -19.687 -2.875 1.00 0.00 N ATOM 1437 CA ARG A 98 -1.775 -20.602 -3.228 1.00 0.00 C ATOM 1438 C ARG A 98 -2.331 -21.949 -3.681 1.00 0.00 C ATOM 1439 O ARG A 98 -2.788 -22.749 -2.865 1.00 0.00 O ATOM 1440 CB ARG A 98 -0.835 -20.801 -2.038 1.00 0.00 C ATOM 1441 CG ARG A 98 0.351 -21.702 -2.342 1.00 0.00 C ATOM 1442 CD ARG A 98 1.487 -21.480 -1.356 1.00 0.00 C ATOM 1443 NE ARG A 98 1.214 -22.091 -0.059 1.00 0.00 N ATOM 1444 CZ ARG A 98 2.005 -21.954 1.000 1.00 0.00 C ATOM 1445 NH1 ARG A 98 3.112 -21.230 0.914 1.00 0.00 N ATOM 1446 NH2 ARG A 98 1.689 -22.542 2.147 1.00 0.00 N ATOM 0 H ARG A 98 -2.767 -19.272 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.216 -20.162 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.467 -19.829 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.399 -21.225 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.036 -22.745 -2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.705 -21.510 -3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.408 -21.895 -1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.650 -20.410 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 98 0.369 -22.654 0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.358 -20.777 0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.718 -21.126 1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.838 -23.100 2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.297 -22.436 2.959 1.00 0.00 H new ATOM 1460 N SER A 99 -2.290 -22.192 -4.987 1.00 0.00 N ATOM 1461 CA SER A 99 -2.794 -23.440 -5.549 1.00 0.00 C ATOM 1462 C SER A 99 -1.659 -24.437 -5.763 1.00 0.00 C ATOM 1463 O SER A 99 -0.844 -24.281 -6.671 1.00 0.00 O ATOM 1464 CB SER A 99 -3.511 -23.174 -6.874 1.00 0.00 C ATOM 1465 OG SER A 99 -4.711 -22.448 -6.668 1.00 0.00 O ATOM 0 H SER A 99 -1.913 -21.541 -5.676 1.00 0.00 H new ATOM 0 HA SER A 99 -3.502 -23.869 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.854 -22.615 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.735 -24.120 -7.366 1.00 0.00 H new ATOM 0 HG SER A 99 -4.531 -21.676 -6.092 1.00 0.00 H new ATOM 1471 N GLY A 100 -1.614 -25.462 -4.918 1.00 0.00 N ATOM 1472 CA GLY A 100 -0.576 -26.470 -5.030 1.00 0.00 C ATOM 1473 C GLY A 100 0.769 -25.975 -4.536 1.00 0.00 C ATOM 1474 O GLY A 100 0.859 -25.002 -3.787 1.00 0.00 O ATOM 0 H GLY A 100 -2.278 -25.612 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.867 -27.352 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.486 -26.780 -6.071 1.00 0.00 H new ATOM 1478 N PRO A 101 1.845 -26.654 -4.960 1.00 0.00 N ATOM 1479 CA PRO A 101 3.212 -26.295 -4.568 1.00 0.00 C ATOM 1480 C PRO A 101 3.670 -24.984 -5.196 1.00 0.00 C ATOM 1481 O PRO A 101 2.899 -24.308 -5.878 1.00 0.00 O ATOM 1482 CB PRO A 101 4.050 -27.463 -5.096 1.00 0.00 C ATOM 1483 CG PRO A 101 3.255 -28.018 -6.227 1.00 0.00 C ATOM 1484 CD PRO A 101 1.812 -27.823 -5.855 1.00 0.00 C ATOM 0 HA PRO A 101 3.301 -26.140 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.032 -27.127 -5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.215 -28.213 -4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.491 -27.504 -7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.479 -29.074 -6.380 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.192 -27.640 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.404 -28.701 -5.354 1.00 0.00 H new ATOM 1492 N SER A 102 4.930 -24.629 -4.963 1.00 0.00 N ATOM 1493 CA SER A 102 5.490 -23.396 -5.504 1.00 0.00 C ATOM 1494 C SER A 102 6.373 -23.685 -6.713 1.00 0.00 C ATOM 1495 O SER A 102 7.444 -24.280 -6.586 1.00 0.00 O ATOM 1496 CB SER A 102 6.298 -22.665 -4.431 1.00 0.00 C ATOM 1497 OG SER A 102 5.449 -21.930 -3.565 1.00 0.00 O ATOM 0 H SER A 102 5.582 -25.178 -4.403 1.00 0.00 H new ATOM 0 HA SER A 102 4.664 -22.760 -5.823 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.876 -23.386 -3.853 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.011 -21.991 -4.905 1.00 0.00 H new ATOM 0 HG SER A 102 5.990 -21.473 -2.887 1.00 0.00 H new ATOM 1503 N SER A 103 5.917 -23.261 -7.887 1.00 0.00 N ATOM 1504 CA SER A 103 6.663 -23.477 -9.121 1.00 0.00 C ATOM 1505 C SER A 103 6.163 -22.553 -10.227 1.00 0.00 C ATOM 1506 O SER A 103 5.006 -22.134 -10.226 1.00 0.00 O ATOM 1507 CB SER A 103 6.542 -24.936 -9.566 1.00 0.00 C ATOM 1508 OG SER A 103 7.019 -25.816 -8.563 1.00 0.00 O ATOM 0 H SER A 103 5.034 -22.766 -8.010 1.00 0.00 H new ATOM 0 HA SER A 103 7.711 -23.249 -8.928 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.500 -25.166 -9.791 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.107 -25.087 -10.486 1.00 0.00 H new ATOM 0 HG SER A 103 7.560 -25.314 -7.918 1.00 0.00 H new ATOM 1514 N GLY A 104 7.044 -22.239 -11.172 1.00 0.00 N ATOM 1515 CA GLY A 104 6.675 -21.367 -12.271 1.00 0.00 C ATOM 1516 C GLY A 104 7.758 -21.274 -13.327 1.00 0.00 C ATOM 1517 O GLY A 104 8.334 -22.287 -13.726 1.00 0.00 O ATOM 0 H GLY A 104 8.007 -22.573 -11.196 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.756 -21.734 -12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.463 -20.370 -11.884 1.00 0.00 H new TER 1521 GLY A 104