USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 890 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 34 THR OG1 : rot 121:sc= 0.327 USER MOD Set 1.2: A 38 CYS SG : rot -158:sc= -0.935! USER MOD Set 1.3: A 41 CYS SG : rot 69:sc= -0.313! USER MOD Set 2.1: A 27 LYS NZ :NH3+ 161:sc= 0.0848 (180deg=0) USER MOD Set 2.2: A 59 THR OG1 : rot -130:sc= 0.078 USER MOD Set 3.1: A 9 CYS SG : rot 76:sc= -0.929 USER MOD Set 3.2: A 14 THR OG1 : rot 71:sc= 1.05 USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.0186 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc=-0.00295 X(o=-0.003,f=-0.089) USER MOD Single : A 11 THR OG1 : rot 125:sc= 0.823 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.178) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0694 K(o=-0.069,f=-2.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 147:sc= -0.929 (180deg=-1.77) USER MOD Single : A 82 THR OG1 : rot 85:sc= 0.979 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -15:sc= 0.902 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 80:sc= 1.04 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.41) USER MOD Single : A 112 THR OG1 : rot 74:sc= 0.0882 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.493 5.913 17.150 1.00 0.00 N ATOM 2 CA ALA A 1 -11.273 6.351 16.430 1.00 0.00 C ATOM 3 C ALA A 1 -11.704 6.450 14.893 1.00 0.00 C ATOM 4 O ALA A 1 -12.435 5.635 14.334 1.00 0.00 O ATOM 5 CB ALA A 1 -10.144 5.320 16.620 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.938 6.733 17.610 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.162 5.490 16.475 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.237 5.208 17.871 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.894 7.303 16.801 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.254 5.653 16.087 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.916 5.222 17.681 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.463 4.355 16.227 1.00 0.00 H new ATOM 12 N GLU A 2 -11.113 7.456 14.281 1.00 0.00 N ATOM 13 CA GLU A 2 -11.309 7.951 12.869 1.00 0.00 C ATOM 14 C GLU A 2 -9.874 8.033 12.161 1.00 0.00 C ATOM 15 O GLU A 2 -9.229 9.097 12.177 1.00 0.00 O ATOM 16 CB GLU A 2 -12.075 9.304 12.688 1.00 0.00 C ATOM 17 CG GLU A 2 -12.440 9.660 11.174 1.00 0.00 C ATOM 18 CD GLU A 2 -13.448 10.801 11.088 1.00 0.00 C ATOM 19 OE1 GLU A 2 -13.123 11.996 10.854 1.00 0.00 O ATOM 20 OE2 GLU A 2 -14.738 10.345 11.465 1.00 0.00 O ATOM 0 H GLU A 2 -10.418 8.018 14.772 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.973 7.224 12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.995 9.267 13.271 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.468 10.109 13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.533 9.935 10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.847 8.777 10.681 1.00 0.00 H new ATOM 28 N GLU A 3 -9.423 6.856 11.701 1.00 0.00 N ATOM 29 CA GLU A 3 -8.036 6.623 11.249 1.00 0.00 C ATOM 30 C GLU A 3 -7.986 5.540 10.156 1.00 0.00 C ATOM 31 O GLU A 3 -8.771 4.546 10.133 1.00 0.00 O ATOM 32 CB GLU A 3 -6.991 6.417 12.402 1.00 0.00 C ATOM 33 CG GLU A 3 -7.350 5.224 13.308 1.00 0.00 C ATOM 34 CD GLU A 3 -6.352 4.994 14.442 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.118 4.792 14.202 1.00 0.00 O ATOM 36 OE2 GLU A 3 -6.956 4.908 15.628 1.00 0.00 O ATOM 0 H GLU A 3 -10.015 6.028 11.630 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.704 7.556 10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.003 6.258 11.970 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.934 7.324 13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.340 5.387 13.734 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.410 4.322 12.699 1.00 0.00 H new ATOM 44 N GLY A 4 -6.954 5.587 9.362 1.00 0.00 N ATOM 45 CA GLY A 4 -6.509 4.488 8.510 1.00 0.00 C ATOM 46 C GLY A 4 -5.822 3.297 9.265 1.00 0.00 C ATOM 47 O GLY A 4 -5.520 3.420 10.467 1.00 0.00 O ATOM 0 H GLY A 4 -6.368 6.418 9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.369 4.103 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.810 4.881 7.772 1.00 0.00 H new ATOM 51 N GLN A 5 -5.529 2.207 8.617 1.00 0.00 N ATOM 52 CA GLN A 5 -5.091 0.985 9.269 1.00 0.00 C ATOM 53 C GLN A 5 -4.370 0.098 8.194 1.00 0.00 C ATOM 54 O GLN A 5 -4.776 -0.042 7.053 1.00 0.00 O ATOM 55 CB GLN A 5 -6.338 0.192 9.780 1.00 0.00 C ATOM 56 CG GLN A 5 -7.387 -0.471 8.800 1.00 0.00 C ATOM 57 CD GLN A 5 -8.746 0.185 8.950 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.025 1.239 8.427 1.00 0.00 O ATOM 59 NE2 GLN A 5 -9.730 -0.464 9.567 1.00 0.00 N ATOM 0 H GLN A 5 -5.586 2.131 7.601 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.431 1.224 10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.959 -0.607 10.417 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.898 0.872 10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.042 -0.375 7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.467 -1.537 9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.544 -1.357 10.023 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.670 -0.068 9.584 1.00 0.00 H new ATOM 68 N VAL A 6 -3.214 -0.444 8.628 1.00 0.00 N ATOM 69 CA VAL A 6 -2.334 -1.377 7.874 1.00 0.00 C ATOM 70 C VAL A 6 -2.897 -2.791 8.299 1.00 0.00 C ATOM 71 O VAL A 6 -2.959 -3.112 9.474 1.00 0.00 O ATOM 72 CB VAL A 6 -0.857 -1.161 8.210 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.173 -2.031 7.480 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.432 0.352 8.179 1.00 0.00 C ATOM 0 H VAL A 6 -2.846 -0.237 9.557 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.353 -1.240 6.793 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.824 -1.525 9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.176 -1.768 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.019 -3.082 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.096 -1.862 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.626 0.438 8.426 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.606 0.759 7.183 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.021 0.910 8.907 1.00 0.00 H new ATOM 84 N ILE A 7 -3.305 -3.523 7.241 1.00 0.00 N ATOM 85 CA ILE A 7 -3.939 -4.852 7.245 1.00 0.00 C ATOM 86 C ILE A 7 -2.847 -5.748 6.502 1.00 0.00 C ATOM 87 O ILE A 7 -2.425 -5.586 5.367 1.00 0.00 O ATOM 88 CB ILE A 7 -5.389 -4.841 6.792 1.00 0.00 C ATOM 89 CG1 ILE A 7 -6.321 -5.901 7.480 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.631 -4.858 5.281 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.861 -7.384 7.264 1.00 0.00 C ATOM 0 H ILE A 7 -3.190 -3.171 6.291 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.143 -5.295 8.220 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.678 -3.853 7.150 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.362 -5.695 8.550 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.334 -5.785 7.094 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.703 -4.848 5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.171 -3.979 4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.192 -5.759 4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.554 -8.057 7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.848 -7.609 6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.861 -7.518 7.675 1.00 0.00 H new ATOM 103 N ALA A 8 -2.508 -6.817 7.285 1.00 0.00 N ATOM 104 CA ALA A 8 -1.757 -8.052 6.827 1.00 0.00 C ATOM 105 C ALA A 8 -2.499 -8.918 5.757 1.00 0.00 C ATOM 106 O ALA A 8 -3.677 -9.284 5.845 1.00 0.00 O ATOM 107 CB ALA A 8 -1.362 -8.891 8.046 1.00 0.00 C ATOM 0 H ALA A 8 -2.750 -6.855 8.275 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.867 -7.693 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.822 -9.779 7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.723 -8.300 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.259 -9.192 8.587 1.00 0.00 H new ATOM 113 N CYS A 9 -1.704 -9.351 4.743 1.00 0.00 N ATOM 114 CA CYS A 9 -2.108 -10.044 3.491 1.00 0.00 C ATOM 115 C CYS A 9 -1.043 -11.141 3.029 1.00 0.00 C ATOM 116 O CYS A 9 0.162 -10.948 3.201 1.00 0.00 O ATOM 117 CB CYS A 9 -2.332 -8.981 2.372 1.00 0.00 C ATOM 118 SG CYS A 9 -3.668 -7.895 2.881 1.00 0.00 S ATOM 0 H CYS A 9 -0.694 -9.215 4.782 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.036 -10.582 3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.420 -8.408 2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.578 -9.469 1.429 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.231 -7.060 3.777 1.00 0.00 H new ATOM 124 N HIS A 10 -1.566 -12.266 2.506 1.00 0.00 N ATOM 125 CA HIS A 10 -0.823 -13.504 2.220 1.00 0.00 C ATOM 126 C HIS A 10 -1.364 -14.434 1.038 1.00 0.00 C ATOM 127 O HIS A 10 -0.626 -15.255 0.436 1.00 0.00 O ATOM 128 CB HIS A 10 -0.519 -14.340 3.552 1.00 0.00 C ATOM 129 CG HIS A 10 0.470 -13.745 4.586 1.00 0.00 C ATOM 130 ND1 HIS A 10 1.847 -13.771 4.497 1.00 0.00 N ATOM 131 CD2 HIS A 10 0.118 -13.127 5.868 1.00 0.00 C ATOM 132 CE1 HIS A 10 2.180 -13.107 5.566 1.00 0.00 C ATOM 133 NE2 HIS A 10 1.302 -12.660 6.472 1.00 0.00 N ATOM 0 H HIS A 10 -2.554 -12.338 2.263 1.00 0.00 H new ATOM 0 HA HIS A 10 0.114 -13.127 1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.468 -14.511 4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.138 -15.316 3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.877 -13.044 6.279 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.228 -12.905 5.732 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.446 -12.139 7.337 1.00 0.00 H new ATOM 141 N THR A 11 -2.660 -14.230 0.578 1.00 0.00 N ATOM 142 CA THR A 11 -3.481 -15.256 -0.209 1.00 0.00 C ATOM 143 C THR A 11 -4.467 -14.544 -1.248 1.00 0.00 C ATOM 144 O THR A 11 -4.546 -13.347 -1.265 1.00 0.00 O ATOM 145 CB THR A 11 -4.203 -16.216 0.887 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.540 -15.547 2.138 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.417 -17.485 1.262 1.00 0.00 C ATOM 0 H THR A 11 -3.164 -13.358 0.739 1.00 0.00 H new ATOM 0 HA THR A 11 -2.857 -15.880 -0.849 1.00 0.00 H new ATOM 0 HB THR A 11 -5.110 -16.497 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.494 -15.667 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.981 -18.058 1.998 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.261 -18.093 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.452 -17.204 1.683 1.00 0.00 H new ATOM 155 N VAL A 12 -5.343 -15.381 -1.834 1.00 0.00 N ATOM 156 CA VAL A 12 -6.557 -14.866 -2.574 1.00 0.00 C ATOM 157 C VAL A 12 -7.424 -13.895 -1.719 1.00 0.00 C ATOM 158 O VAL A 12 -8.215 -13.094 -2.301 1.00 0.00 O ATOM 159 CB VAL A 12 -7.327 -15.992 -3.357 1.00 0.00 C ATOM 160 CG1 VAL A 12 -8.074 -16.913 -2.367 1.00 0.00 C ATOM 161 CG2 VAL A 12 -8.384 -15.392 -4.289 1.00 0.00 C ATOM 0 H VAL A 12 -5.255 -16.397 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.196 -14.223 -3.377 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.585 -16.547 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.603 -17.689 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.357 -17.376 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.789 -16.325 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.900 -16.193 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.104 -14.821 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.901 -14.734 -5.011 1.00 0.00 H new ATOM 171 N ASP A 13 -7.534 -14.056 -0.415 1.00 0.00 N ATOM 172 CA ASP A 13 -8.166 -13.096 0.542 1.00 0.00 C ATOM 173 C ASP A 13 -7.778 -11.586 0.320 1.00 0.00 C ATOM 174 O ASP A 13 -8.699 -10.820 -0.043 1.00 0.00 O ATOM 175 CB ASP A 13 -7.733 -13.509 2.016 1.00 0.00 C ATOM 176 CG ASP A 13 -8.134 -14.873 2.492 1.00 0.00 C ATOM 177 OD1 ASP A 13 -7.334 -15.789 2.787 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.468 -15.090 2.635 1.00 0.00 O ATOM 0 H ASP A 13 -7.177 -14.889 0.053 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.241 -13.162 0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.648 -13.434 2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.147 -12.775 2.708 1.00 0.00 H new ATOM 184 N THR A 14 -6.510 -11.195 0.330 1.00 0.00 N ATOM 185 CA THR A 14 -6.032 -9.838 -0.271 1.00 0.00 C ATOM 186 C THR A 14 -6.592 -9.415 -1.749 1.00 0.00 C ATOM 187 O THR A 14 -6.948 -8.252 -1.922 1.00 0.00 O ATOM 188 CB THR A 14 -4.466 -9.693 -0.162 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.195 -8.320 0.068 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.572 -10.027 -1.304 1.00 0.00 C ATOM 0 H THR A 14 -5.757 -11.754 0.731 1.00 0.00 H new ATOM 0 HA THR A 14 -6.521 -9.101 0.366 1.00 0.00 H new ATOM 0 HB THR A 14 -4.237 -10.434 0.604 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.483 -8.077 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.535 -9.856 -1.016 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.705 -11.074 -1.576 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.820 -9.396 -2.157 1.00 0.00 H new ATOM 198 N TRP A 15 -6.703 -10.371 -2.695 1.00 0.00 N ATOM 199 CA TRP A 15 -7.438 -10.177 -4.026 1.00 0.00 C ATOM 200 C TRP A 15 -8.895 -9.648 -3.862 1.00 0.00 C ATOM 201 O TRP A 15 -9.271 -8.724 -4.611 1.00 0.00 O ATOM 202 CB TRP A 15 -7.273 -11.555 -4.884 1.00 0.00 C ATOM 203 CG TRP A 15 -6.229 -11.634 -5.915 1.00 0.00 C ATOM 204 CD1 TRP A 15 -4.897 -12.170 -5.701 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.257 -11.229 -7.180 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.157 -12.151 -6.886 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.004 -11.559 -7.817 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.294 -10.818 -8.008 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -4.754 -11.339 -9.182 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.077 -10.573 -9.359 1.00 0.00 C ATOM 211 CH2 TRP A 15 -5.827 -10.815 -9.949 1.00 0.00 C ATOM 0 H TRP A 15 -6.300 -11.302 -2.589 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.985 -9.368 -4.599 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.097 -12.364 -4.175 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.229 -11.757 -5.368 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.528 -12.534 -4.754 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.208 -12.494 -7.035 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.284 -10.687 -7.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.794 -11.558 -9.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.885 -10.190 -9.965 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.680 -10.600 -10.997 1.00 0.00 H new ATOM 222 N LYS A 16 -9.655 -10.171 -2.934 1.00 0.00 N ATOM 223 CA LYS A 16 -10.886 -9.522 -2.422 1.00 0.00 C ATOM 224 C LYS A 16 -10.735 -8.119 -1.705 1.00 0.00 C ATOM 225 O LYS A 16 -11.591 -7.231 -1.945 1.00 0.00 O ATOM 226 CB LYS A 16 -11.643 -10.549 -1.544 1.00 0.00 C ATOM 227 CG LYS A 16 -12.127 -11.815 -2.321 1.00 0.00 C ATOM 228 CD LYS A 16 -13.038 -12.808 -1.628 1.00 0.00 C ATOM 229 CE LYS A 16 -12.279 -13.569 -0.497 1.00 0.00 C ATOM 230 NZ LYS A 16 -12.922 -14.823 -0.075 1.00 0.00 N ATOM 0 H LYS A 16 -9.455 -11.069 -2.493 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.458 -9.241 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.993 -10.863 -0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.507 -10.060 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.640 -11.472 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.240 -12.357 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.897 -12.286 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.424 -13.522 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.268 -13.790 -0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.187 -12.912 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.357 -15.267 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.877 -14.620 0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.987 -15.470 -0.887 1.00 0.00 H new ATOM 243 N GLU A 17 -9.870 -7.965 -0.678 1.00 0.00 N ATOM 244 CA GLU A 17 -9.571 -6.717 0.102 1.00 0.00 C ATOM 245 C GLU A 17 -9.206 -5.450 -0.754 1.00 0.00 C ATOM 246 O GLU A 17 -9.959 -4.452 -0.866 1.00 0.00 O ATOM 247 CB GLU A 17 -8.630 -6.904 1.305 1.00 0.00 C ATOM 248 CG GLU A 17 -9.030 -7.942 2.385 1.00 0.00 C ATOM 249 CD GLU A 17 -8.140 -8.200 3.600 1.00 0.00 C ATOM 250 OE1 GLU A 17 -8.232 -7.566 4.677 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.148 -9.058 3.333 1.00 0.00 O ATOM 0 H GLU A 17 -9.319 -8.754 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.549 -6.495 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.648 -7.182 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.518 -5.937 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.009 -7.647 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.160 -8.897 1.876 1.00 0.00 H new ATOM 259 N HIS A 18 -8.101 -5.613 -1.463 1.00 0.00 N ATOM 260 CA HIS A 18 -7.547 -4.651 -2.439 1.00 0.00 C ATOM 261 C HIS A 18 -8.501 -4.136 -3.552 1.00 0.00 C ATOM 262 O HIS A 18 -8.685 -2.936 -3.677 1.00 0.00 O ATOM 263 CB HIS A 18 -6.321 -5.466 -3.043 1.00 0.00 C ATOM 264 CG HIS A 18 -5.381 -4.626 -3.904 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.696 -3.704 -4.942 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.002 -4.747 -3.877 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.431 -3.375 -5.382 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.328 -4.031 -4.836 1.00 0.00 N ATOM 0 H HIS A 18 -7.530 -6.454 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.300 -3.711 -1.946 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.752 -5.906 -2.224 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.706 -6.291 -3.642 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.491 -5.362 -3.151 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.296 -2.618 -6.141 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.337 -3.992 -5.073 1.00 0.00 H new ATOM 276 N PHE A 19 -8.956 -5.072 -4.343 1.00 0.00 N ATOM 277 CA PHE A 19 -9.868 -4.790 -5.491 1.00 0.00 C ATOM 278 C PHE A 19 -11.203 -3.942 -5.188 1.00 0.00 C ATOM 279 O PHE A 19 -11.371 -2.815 -5.696 1.00 0.00 O ATOM 280 CB PHE A 19 -10.208 -6.025 -6.332 1.00 0.00 C ATOM 281 CG PHE A 19 -10.605 -5.796 -7.798 1.00 0.00 C ATOM 282 CD1 PHE A 19 -9.636 -5.632 -8.788 1.00 0.00 C ATOM 283 CD2 PHE A 19 -11.952 -6.045 -8.156 1.00 0.00 C ATOM 284 CE1 PHE A 19 -10.014 -5.516 -10.118 1.00 0.00 C ATOM 285 CE2 PHE A 19 -12.293 -6.038 -9.517 1.00 0.00 C ATOM 286 CZ PHE A 19 -11.339 -5.721 -10.503 1.00 0.00 C ATOM 0 H PHE A 19 -8.723 -6.059 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.238 -4.120 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.345 -6.690 -6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.025 -6.552 -5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.591 -5.595 -8.519 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.699 -6.236 -7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.274 -5.264 -10.863 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.303 -6.280 -9.813 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.628 -5.638 -11.540 1.00 0.00 H new ATOM 296 N GLU A 20 -12.084 -4.512 -4.319 1.00 0.00 N ATOM 297 CA GLU A 20 -13.358 -3.900 -3.871 1.00 0.00 C ATOM 298 C GLU A 20 -13.241 -2.551 -3.058 1.00 0.00 C ATOM 299 O GLU A 20 -14.035 -1.646 -3.337 1.00 0.00 O ATOM 300 CB GLU A 20 -14.327 -4.964 -3.281 1.00 0.00 C ATOM 301 CG GLU A 20 -14.981 -6.040 -4.135 1.00 0.00 C ATOM 302 CD GLU A 20 -15.698 -5.581 -5.393 1.00 0.00 C ATOM 303 OE1 GLU A 20 -15.072 -5.124 -6.342 1.00 0.00 O ATOM 304 OE2 GLU A 20 -17.051 -5.561 -5.309 1.00 0.00 O ATOM 0 H GLU A 20 -11.920 -5.429 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.834 -3.528 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.779 -5.482 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.136 -4.415 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.212 -6.756 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.698 -6.577 -3.513 1.00 0.00 H new ATOM 312 N LYS A 21 -12.341 -2.512 -2.079 1.00 0.00 N ATOM 313 CA LYS A 21 -11.959 -1.249 -1.408 1.00 0.00 C ATOM 314 C LYS A 21 -11.581 -0.104 -2.349 1.00 0.00 C ATOM 315 O LYS A 21 -12.453 0.741 -2.514 1.00 0.00 O ATOM 316 CB LYS A 21 -10.919 -1.373 -0.231 1.00 0.00 C ATOM 317 CG LYS A 21 -11.464 -2.128 0.993 1.00 0.00 C ATOM 318 CD LYS A 21 -11.792 -1.163 2.131 1.00 0.00 C ATOM 319 CE LYS A 21 -12.483 -1.884 3.332 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.393 -2.382 4.145 1.00 0.00 N ATOM 0 H LYS A 21 -11.856 -3.336 -1.724 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.906 -0.982 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.028 -1.884 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.610 -0.374 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.359 -2.683 0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.729 -2.858 1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.875 -0.684 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.444 -0.373 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.114 -1.197 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.124 -2.697 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.777 -2.880 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.814 -3.039 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.804 -1.585 4.462 1.00 0.00 H new ATOM 333 N GLY A 22 -10.496 -0.202 -3.086 1.00 0.00 N ATOM 334 CA GLY A 22 -10.210 0.686 -4.239 1.00 0.00 C ATOM 335 C GLY A 22 -11.354 1.031 -5.234 1.00 0.00 C ATOM 336 O GLY A 22 -12.038 2.044 -5.120 1.00 0.00 O ATOM 0 H GLY A 22 -9.770 -0.898 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.826 1.626 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.403 0.229 -4.812 1.00 0.00 H new ATOM 340 N LYS A 23 -11.462 0.277 -6.347 1.00 0.00 N ATOM 341 CA LYS A 23 -12.695 0.144 -7.142 1.00 0.00 C ATOM 342 C LYS A 23 -13.872 -0.488 -6.374 1.00 0.00 C ATOM 343 O LYS A 23 -14.197 -1.656 -6.486 1.00 0.00 O ATOM 344 CB LYS A 23 -12.611 -0.390 -8.565 1.00 0.00 C ATOM 345 CG LYS A 23 -13.814 -0.242 -9.584 1.00 0.00 C ATOM 346 CD LYS A 23 -14.268 -1.538 -10.317 1.00 0.00 C ATOM 347 CE LYS A 23 -13.244 -2.374 -11.078 1.00 0.00 C ATOM 348 NZ LYS A 23 -12.703 -1.691 -12.315 1.00 0.00 N ATOM 0 H LYS A 23 -10.683 -0.263 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.898 1.203 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.745 0.083 -9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.391 -1.455 -8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.670 0.162 -9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.535 0.495 -10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.731 -2.187 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.048 -1.256 -11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.414 -2.611 -10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.702 -3.320 -11.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.249 -2.396 -12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.483 -1.234 -12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.004 -0.973 -12.037 1.00 0.00 H new ATOM 361 N GLY A 24 -14.580 0.441 -5.742 1.00 0.00 N ATOM 362 CA GLY A 24 -15.943 0.137 -5.249 1.00 0.00 C ATOM 363 C GLY A 24 -16.399 1.164 -4.175 1.00 0.00 C ATOM 364 O GLY A 24 -17.460 1.818 -4.179 1.00 0.00 O ATOM 0 H GLY A 24 -14.256 1.390 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.644 0.146 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.963 -0.867 -4.826 1.00 0.00 H new ATOM 368 N SER A 25 -15.510 1.355 -3.211 1.00 0.00 N ATOM 369 CA SER A 25 -15.616 2.203 -1.997 1.00 0.00 C ATOM 370 C SER A 25 -15.003 3.589 -2.392 1.00 0.00 C ATOM 371 O SER A 25 -13.825 3.624 -2.737 1.00 0.00 O ATOM 372 CB SER A 25 -15.068 1.585 -0.660 1.00 0.00 C ATOM 373 OG SER A 25 -15.686 0.337 -0.325 1.00 0.00 O ATOM 0 H SER A 25 -14.606 0.883 -3.247 1.00 0.00 H new ATOM 0 HA SER A 25 -16.664 2.306 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.991 1.439 -0.748 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.228 2.293 0.153 1.00 0.00 H new ATOM 0 HG SER A 25 -15.306 -0.002 0.513 1.00 0.00 H new ATOM 379 N GLN A 26 -15.796 4.730 -2.243 1.00 0.00 N ATOM 380 CA GLN A 26 -15.353 6.190 -2.374 1.00 0.00 C ATOM 381 C GLN A 26 -14.263 6.463 -1.310 1.00 0.00 C ATOM 382 O GLN A 26 -14.462 6.971 -0.192 1.00 0.00 O ATOM 383 CB GLN A 26 -16.555 7.244 -2.234 1.00 0.00 C ATOM 384 CG GLN A 26 -17.498 7.284 -3.481 1.00 0.00 C ATOM 385 CD GLN A 26 -18.685 6.252 -3.616 1.00 0.00 C ATOM 386 OE1 GLN A 26 -19.257 5.682 -2.698 1.00 0.00 O ATOM 387 NE2 GLN A 26 -18.892 5.919 -4.892 1.00 0.00 N ATOM 0 H GLN A 26 -16.789 4.655 -2.022 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.962 6.331 -3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.144 6.996 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.139 8.238 -2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.932 8.283 -3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.870 7.170 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -18.399 6.414 -5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.543 5.169 -5.124 1.00 0.00 H new ATOM 396 N LYS A 27 -13.051 6.060 -1.708 1.00 0.00 N ATOM 397 CA LYS A 27 -11.790 6.240 -0.914 1.00 0.00 C ATOM 398 C LYS A 27 -10.515 5.884 -1.782 1.00 0.00 C ATOM 399 O LYS A 27 -10.589 5.073 -2.750 1.00 0.00 O ATOM 400 CB LYS A 27 -11.911 5.355 0.353 1.00 0.00 C ATOM 401 CG LYS A 27 -11.894 3.806 0.036 1.00 0.00 C ATOM 402 CD LYS A 27 -11.751 2.894 1.225 1.00 0.00 C ATOM 403 CE LYS A 27 -12.625 3.269 2.445 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.529 2.260 3.529 1.00 0.00 N ATOM 0 H LYS A 27 -12.896 5.591 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.662 7.281 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.091 5.589 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.836 5.602 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.817 3.551 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.074 3.605 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.000 1.878 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.706 2.886 1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.316 4.242 2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.664 3.365 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.850 2.681 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.128 1.442 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.541 1.949 3.627 1.00 0.00 H new ATOM 417 N LEU A 28 -9.350 6.329 -1.308 1.00 0.00 N ATOM 418 CA LEU A 28 -7.958 5.943 -1.718 1.00 0.00 C ATOM 419 C LEU A 28 -7.570 4.618 -0.909 1.00 0.00 C ATOM 420 O LEU A 28 -8.072 4.327 0.203 1.00 0.00 O ATOM 421 CB LEU A 28 -7.058 7.186 -1.523 1.00 0.00 C ATOM 422 CG LEU A 28 -5.543 7.160 -1.721 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.062 6.613 -3.086 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.808 8.445 -1.430 1.00 0.00 C ATOM 0 H LEU A 28 -9.331 7.027 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.839 5.673 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.444 7.954 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.230 7.535 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.275 6.445 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.973 6.637 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.407 5.586 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.467 7.230 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.742 8.302 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.182 9.234 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.969 8.729 -0.390 1.00 0.00 H new ATOM 436 N ILE A 29 -6.616 3.798 -1.470 1.00 0.00 N ATOM 437 CA ILE A 29 -6.089 2.505 -0.905 1.00 0.00 C ATOM 438 C ILE A 29 -4.613 2.603 -1.429 1.00 0.00 C ATOM 439 O ILE A 29 -4.249 2.977 -2.560 1.00 0.00 O ATOM 440 CB ILE A 29 -6.871 1.206 -1.312 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.623 0.590 -2.678 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.378 1.284 -0.894 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.593 -0.991 -2.598 1.00 0.00 C ATOM 0 H ILE A 29 -6.178 4.030 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.192 2.401 0.175 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.383 0.442 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.404 0.907 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.676 0.954 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.886 0.367 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.450 1.404 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.848 2.136 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.414 -1.402 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.795 -1.306 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.549 -1.355 -2.222 1.00 0.00 H new ATOM 455 N VAL A 30 -3.728 2.196 -0.537 1.00 0.00 N ATOM 456 CA VAL A 30 -2.265 2.387 -0.665 1.00 0.00 C ATOM 457 C VAL A 30 -1.553 1.161 -0.019 1.00 0.00 C ATOM 458 O VAL A 30 -1.859 0.770 1.102 1.00 0.00 O ATOM 459 CB VAL A 30 -1.629 3.714 -0.118 1.00 0.00 C ATOM 460 CG1 VAL A 30 -0.031 3.802 -0.176 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.242 5.037 -0.596 1.00 0.00 C ATOM 0 H VAL A 30 -3.995 1.712 0.320 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.106 2.476 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.919 3.606 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.295 4.761 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.400 2.994 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.301 3.711 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.707 5.871 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.163 5.104 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.292 5.078 -0.305 1.00 0.00 H new ATOM 471 N VAL A 31 -0.674 0.514 -0.838 1.00 0.00 N ATOM 472 CA VAL A 31 -0.297 -0.893 -0.689 1.00 0.00 C ATOM 473 C VAL A 31 1.215 -1.087 -0.997 1.00 0.00 C ATOM 474 O VAL A 31 1.638 -1.028 -2.137 1.00 0.00 O ATOM 475 CB VAL A 31 -1.313 -1.875 -1.539 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.390 -1.460 -2.988 1.00 0.00 C ATOM 477 CG2 VAL A 31 -1.000 -3.361 -1.477 1.00 0.00 C ATOM 0 H VAL A 31 -0.212 0.974 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.423 -1.200 0.349 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.271 -1.742 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.067 -2.126 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.760 -0.437 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.398 -1.516 -3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.730 -3.912 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.001 -3.539 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.045 -3.699 -0.442 1.00 0.00 H new ATOM 487 N ASP A 32 1.934 -1.448 0.068 1.00 0.00 N ATOM 488 CA ASP A 32 3.243 -2.078 0.020 1.00 0.00 C ATOM 489 C ASP A 32 3.275 -3.546 -0.494 1.00 0.00 C ATOM 490 O ASP A 32 2.441 -4.420 -0.362 1.00 0.00 O ATOM 491 CB ASP A 32 3.896 -1.921 1.407 1.00 0.00 C ATOM 492 CG ASP A 32 5.436 -1.812 1.668 1.00 0.00 C ATOM 493 OD1 ASP A 32 5.941 -2.098 2.750 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.108 -1.395 0.579 1.00 0.00 O ATOM 0 H ASP A 32 1.602 -1.301 1.021 1.00 0.00 H new ATOM 0 HA ASP A 32 3.822 -1.560 -0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.454 -1.027 1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.552 -2.770 1.998 1.00 0.00 H new ATOM 500 N PHE A 33 4.444 -3.775 -1.113 1.00 0.00 N ATOM 501 CA PHE A 33 4.797 -5.015 -1.801 1.00 0.00 C ATOM 502 C PHE A 33 6.280 -5.139 -1.257 1.00 0.00 C ATOM 503 O PHE A 33 7.188 -4.373 -1.677 1.00 0.00 O ATOM 504 CB PHE A 33 4.664 -5.062 -3.276 1.00 0.00 C ATOM 505 CG PHE A 33 3.166 -5.318 -3.673 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.693 -6.636 -3.621 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.310 -4.250 -3.852 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.290 -6.817 -3.958 1.00 0.00 C ATOM 509 CE2 PHE A 33 0.940 -4.482 -4.053 1.00 0.00 C ATOM 510 CZ PHE A 33 0.401 -5.758 -4.106 1.00 0.00 C ATOM 0 H PHE A 33 5.188 -3.078 -1.146 1.00 0.00 H new ATOM 0 HA PHE A 33 4.119 -5.844 -1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.009 -4.124 -3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.296 -5.852 -3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.330 -7.465 -3.348 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.693 -3.240 -3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.921 -7.822 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.281 -3.634 -4.171 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.656 -5.921 -4.255 1.00 0.00 H new ATOM 520 N THR A 34 6.508 -6.097 -0.353 1.00 0.00 N ATOM 521 CA THR A 34 7.771 -6.202 0.405 1.00 0.00 C ATOM 522 C THR A 34 7.833 -7.741 0.816 1.00 0.00 C ATOM 523 O THR A 34 6.826 -8.431 1.138 1.00 0.00 O ATOM 524 CB THR A 34 7.622 -5.317 1.687 1.00 0.00 C ATOM 525 OG1 THR A 34 8.935 -5.177 2.242 1.00 0.00 O ATOM 526 CG2 THR A 34 6.700 -5.715 2.871 1.00 0.00 C ATOM 0 H THR A 34 5.828 -6.822 -0.122 1.00 0.00 H new ATOM 0 HA THR A 34 8.657 -5.882 -0.143 1.00 0.00 H new ATOM 0 HB THR A 34 7.115 -4.439 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.172 -4.227 2.287 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.756 -4.952 3.648 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.672 -5.800 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.024 -6.673 3.279 1.00 0.00 H new ATOM 534 N ALA A 35 9.110 -8.164 0.841 1.00 0.00 N ATOM 535 CA ALA A 35 9.632 -9.464 1.385 1.00 0.00 C ATOM 536 C ALA A 35 9.929 -9.273 2.890 1.00 0.00 C ATOM 537 O ALA A 35 10.729 -8.331 3.213 1.00 0.00 O ATOM 538 CB ALA A 35 10.876 -9.796 0.493 1.00 0.00 C ATOM 0 H ALA A 35 9.861 -7.586 0.464 1.00 0.00 H new ATOM 0 HA ALA A 35 8.940 -10.305 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.320 -10.735 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.564 -9.889 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.611 -8.996 0.581 1.00 0.00 H new ATOM 544 N SER A 36 9.409 -10.214 3.673 1.00 0.00 N ATOM 545 CA SER A 36 9.723 -10.293 5.139 1.00 0.00 C ATOM 546 C SER A 36 11.285 -10.085 5.595 1.00 0.00 C ATOM 547 O SER A 36 11.628 -9.332 6.528 1.00 0.00 O ATOM 548 CB SER A 36 9.029 -11.649 5.625 1.00 0.00 C ATOM 549 OG SER A 36 8.799 -11.530 7.009 1.00 0.00 O ATOM 0 H SER A 36 8.771 -10.938 3.342 1.00 0.00 H new ATOM 0 HA SER A 36 9.320 -9.421 5.654 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.092 -11.813 5.093 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.670 -12.505 5.414 1.00 0.00 H new ATOM 0 HG SER A 36 8.371 -12.347 7.341 1.00 0.00 H new ATOM 555 N TRP A 37 12.212 -10.771 4.890 1.00 0.00 N ATOM 556 CA TRP A 37 13.708 -10.431 4.877 1.00 0.00 C ATOM 557 C TRP A 37 14.013 -9.050 4.335 1.00 0.00 C ATOM 558 O TRP A 37 14.342 -8.866 3.150 1.00 0.00 O ATOM 559 CB TRP A 37 14.360 -11.610 4.149 1.00 0.00 C ATOM 560 CG TRP A 37 13.823 -12.144 2.802 1.00 0.00 C ATOM 561 CD1 TRP A 37 12.679 -13.009 2.679 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.209 -11.895 1.480 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.445 -13.357 1.295 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.348 -12.626 0.615 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.253 -11.103 0.930 1.00 0.00 C ATOM 566 CZ2 TRP A 37 13.455 -12.401 -0.775 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.363 -11.001 -0.528 1.00 0.00 C ATOM 568 CH2 TRP A 37 14.428 -11.623 -1.348 1.00 0.00 C ATOM 0 H TRP A 37 11.977 -11.575 4.308 1.00 0.00 H new ATOM 0 HA TRP A 37 14.130 -10.334 5.877 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.403 -11.339 3.985 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.354 -12.450 4.844 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.077 -13.352 3.508 1.00 0.00 H new ATOM 0 HE1 TRP A 37 11.754 -14.007 0.920 1.00 0.00 H new ATOM 0 HE3 TRP A 37 15.951 -10.587 1.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.729 -12.868 -1.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.174 -10.440 -0.968 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.468 -11.495 -2.420 1.00 0.00 H new ATOM 579 N CYS A 38 13.752 -8.012 5.138 1.00 0.00 N ATOM 580 CA CYS A 38 13.928 -6.566 4.725 1.00 0.00 C ATOM 581 C CYS A 38 13.931 -5.679 5.967 1.00 0.00 C ATOM 582 O CYS A 38 12.952 -5.024 6.275 1.00 0.00 O ATOM 583 CB CYS A 38 12.764 -6.080 3.814 1.00 0.00 C ATOM 584 SG CYS A 38 12.871 -4.286 3.381 1.00 0.00 S ATOM 0 H CYS A 38 13.413 -8.123 6.094 1.00 0.00 H new ATOM 0 HA CYS A 38 14.869 -6.499 4.178 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.761 -6.668 2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.816 -6.269 4.317 1.00 0.00 H new ATOM 0 HG CYS A 38 11.695 -3.852 3.035 1.00 0.00 H new ATOM 590 N PRO A 39 15.093 -5.493 6.674 1.00 0.00 N ATOM 591 CA PRO A 39 15.276 -4.493 7.750 1.00 0.00 C ATOM 592 C PRO A 39 14.847 -2.989 7.465 1.00 0.00 C ATOM 593 O PRO A 39 14.119 -2.519 8.335 1.00 0.00 O ATOM 594 CB PRO A 39 16.675 -4.799 8.293 1.00 0.00 C ATOM 595 CG PRO A 39 17.051 -6.199 7.849 1.00 0.00 C ATOM 596 CD PRO A 39 16.329 -6.298 6.459 1.00 0.00 C ATOM 0 HA PRO A 39 14.532 -4.594 8.540 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.397 -4.073 7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.686 -4.728 9.381 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.130 -6.324 7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.699 -6.958 8.548 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.942 -5.892 5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.099 -7.330 6.195 1.00 0.00 H new ATOM 604 N PRO A 40 15.191 -2.359 6.336 1.00 0.00 N ATOM 605 CA PRO A 40 14.646 -1.059 5.836 1.00 0.00 C ATOM 606 C PRO A 40 13.105 -0.887 5.879 1.00 0.00 C ATOM 607 O PRO A 40 12.601 0.064 6.506 1.00 0.00 O ATOM 608 CB PRO A 40 15.266 -0.893 4.484 1.00 0.00 C ATOM 609 CG PRO A 40 16.501 -1.771 4.488 1.00 0.00 C ATOM 610 CD PRO A 40 16.104 -2.922 5.313 1.00 0.00 C ATOM 0 HA PRO A 40 14.915 -0.249 6.514 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.575 -1.194 3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.527 0.149 4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.778 -2.077 3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.361 -1.252 4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.605 -3.684 4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.971 -3.396 5.774 1.00 0.00 H new ATOM 618 N CYS A 41 12.381 -1.838 5.300 1.00 0.00 N ATOM 619 CA CYS A 41 10.913 -2.023 5.482 1.00 0.00 C ATOM 620 C CYS A 41 10.401 -2.438 6.892 1.00 0.00 C ATOM 621 O CYS A 41 9.202 -2.084 7.177 1.00 0.00 O ATOM 622 CB CYS A 41 10.253 -2.896 4.440 1.00 0.00 C ATOM 623 SG CYS A 41 10.653 -2.279 2.812 1.00 0.00 S ATOM 0 H CYS A 41 12.792 -2.528 4.672 1.00 0.00 H new ATOM 0 HA CYS A 41 10.598 -0.988 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.593 -3.926 4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.173 -2.900 4.584 1.00 0.00 H new ATOM 0 HG CYS A 41 11.917 -2.469 2.574 1.00 0.00 H new ATOM 629 N LYS A 42 11.210 -3.037 7.748 1.00 0.00 N ATOM 630 CA LYS A 42 10.948 -3.239 9.241 1.00 0.00 C ATOM 631 C LYS A 42 10.776 -1.847 9.997 1.00 0.00 C ATOM 632 O LYS A 42 9.830 -1.543 10.703 1.00 0.00 O ATOM 633 CB LYS A 42 11.881 -4.315 9.842 1.00 0.00 C ATOM 634 CG LYS A 42 11.609 -4.851 11.230 1.00 0.00 C ATOM 635 CD LYS A 42 12.316 -6.137 11.639 1.00 0.00 C ATOM 636 CE LYS A 42 11.877 -6.722 12.984 1.00 0.00 C ATOM 637 NZ LYS A 42 10.584 -7.355 12.924 1.00 0.00 N ATOM 0 H LYS A 42 12.108 -3.424 7.456 1.00 0.00 H new ATOM 0 HA LYS A 42 9.971 -3.693 9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.881 -5.164 9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.892 -3.906 9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.878 -4.076 11.948 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.535 -5.013 11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.151 -6.886 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.389 -5.947 11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.617 -7.450 13.317 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.853 -5.927 13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.338 -7.732 13.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.869 -6.658 12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.610 -8.132 12.234 1.00 0.00 H new ATOM 650 N MET A 43 11.608 -0.821 9.639 1.00 0.00 N ATOM 651 CA MET A 43 11.354 0.630 9.895 1.00 0.00 C ATOM 652 C MET A 43 10.117 1.306 9.108 1.00 0.00 C ATOM 653 O MET A 43 9.247 1.958 9.716 1.00 0.00 O ATOM 654 CB MET A 43 12.611 1.461 10.060 1.00 0.00 C ATOM 655 CG MET A 43 13.403 1.868 8.859 1.00 0.00 C ATOM 656 SD MET A 43 14.818 2.926 9.157 1.00 0.00 S ATOM 657 CE MET A 43 15.822 2.870 7.649 1.00 0.00 C ATOM 0 H MET A 43 12.491 -0.985 9.155 1.00 0.00 H new ATOM 0 HA MET A 43 10.929 0.636 10.899 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.329 2.373 10.586 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.281 0.907 10.717 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.751 0.965 8.358 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.734 2.379 8.166 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.702 3.500 7.774 1.00 0.00 H new ATOM 0 HE2 MET A 43 16.135 1.843 7.458 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.233 3.233 6.806 1.00 0.00 H new ATOM 667 N ILE A 44 10.066 1.185 7.729 1.00 0.00 N ATOM 668 CA ILE A 44 8.922 1.607 6.882 1.00 0.00 C ATOM 669 C ILE A 44 7.434 1.183 7.277 1.00 0.00 C ATOM 670 O ILE A 44 6.552 2.023 7.164 1.00 0.00 O ATOM 671 CB ILE A 44 9.279 1.436 5.343 1.00 0.00 C ATOM 672 CG1 ILE A 44 9.086 2.786 4.596 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.512 0.338 4.584 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.991 4.019 4.884 1.00 0.00 C ATOM 0 H ILE A 44 10.834 0.786 7.188 1.00 0.00 H new ATOM 0 HA ILE A 44 8.820 2.665 7.124 1.00 0.00 H new ATOM 0 HB ILE A 44 10.320 1.113 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.174 2.572 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.058 3.101 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.841 0.317 3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.708 -0.629 5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.443 0.548 4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.682 4.852 4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.896 4.303 5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.029 3.766 4.669 1.00 0.00 H new ATOM 686 N ALA A 45 7.270 -0.036 7.889 1.00 0.00 N ATOM 687 CA ALA A 45 6.005 -0.400 8.528 1.00 0.00 C ATOM 688 C ALA A 45 5.460 0.529 9.694 1.00 0.00 C ATOM 689 O ALA A 45 4.388 1.052 9.450 1.00 0.00 O ATOM 690 CB ALA A 45 6.018 -1.873 8.990 1.00 0.00 C ATOM 0 H ALA A 45 7.994 -0.753 7.941 1.00 0.00 H new ATOM 0 HA ALA A 45 5.290 -0.238 7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.065 -2.115 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.172 -2.523 8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.825 -2.022 9.707 1.00 0.00 H new ATOM 696 N PRO A 46 6.246 0.916 10.753 1.00 0.00 N ATOM 697 CA PRO A 46 5.976 2.142 11.521 1.00 0.00 C ATOM 698 C PRO A 46 5.746 3.551 10.796 1.00 0.00 C ATOM 699 O PRO A 46 4.930 4.340 11.314 1.00 0.00 O ATOM 700 CB PRO A 46 7.147 2.270 12.526 1.00 0.00 C ATOM 701 CG PRO A 46 7.845 0.912 12.582 1.00 0.00 C ATOM 702 CD PRO A 46 7.229 0.111 11.412 1.00 0.00 C ATOM 0 HA PRO A 46 4.978 1.980 11.929 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.842 3.047 12.209 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.779 2.554 13.512 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.924 1.015 12.467 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.672 0.416 13.537 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.007 -0.182 10.707 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.774 -0.807 11.784 1.00 0.00 H new ATOM 710 N ILE A 47 6.552 3.893 9.771 1.00 0.00 N ATOM 711 CA ILE A 47 6.315 5.106 8.878 1.00 0.00 C ATOM 712 C ILE A 47 4.925 5.162 8.171 1.00 0.00 C ATOM 713 O ILE A 47 4.207 6.137 8.317 1.00 0.00 O ATOM 714 CB ILE A 47 7.618 5.280 8.079 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.965 5.560 8.831 1.00 0.00 C ATOM 716 CG2 ILE A 47 7.566 6.335 6.941 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.912 6.754 9.791 1.00 0.00 C ATOM 0 H ILE A 47 7.384 3.360 9.519 1.00 0.00 H new ATOM 0 HA ILE A 47 6.155 6.031 9.432 1.00 0.00 H new ATOM 0 HB ILE A 47 7.647 4.254 7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.247 4.669 9.392 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.750 5.734 8.095 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.534 6.379 6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.798 6.055 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.330 7.312 7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.883 6.879 10.270 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.663 7.658 9.235 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.152 6.576 10.552 1.00 0.00 H new ATOM 729 N PHE A 48 4.595 4.054 7.546 1.00 0.00 N ATOM 730 CA PHE A 48 3.215 3.729 7.055 1.00 0.00 C ATOM 731 C PHE A 48 2.027 3.803 8.145 1.00 0.00 C ATOM 732 O PHE A 48 0.977 4.461 7.902 1.00 0.00 O ATOM 733 CB PHE A 48 3.430 2.461 6.198 1.00 0.00 C ATOM 734 CG PHE A 48 2.306 1.826 5.351 1.00 0.00 C ATOM 735 CD1 PHE A 48 1.894 2.554 4.200 1.00 0.00 C ATOM 736 CD2 PHE A 48 2.146 0.457 5.405 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.121 1.879 3.308 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.317 -0.186 4.507 1.00 0.00 C ATOM 739 CZ PHE A 48 0.790 0.525 3.494 1.00 0.00 C ATOM 0 H PHE A 48 5.272 3.318 7.346 1.00 0.00 H new ATOM 0 HA PHE A 48 2.767 4.504 6.433 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.247 2.684 5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.785 1.684 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.179 3.584 4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.672 -0.116 6.154 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.752 2.396 2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.096 -1.238 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.101 0.048 2.812 1.00 0.00 H new ATOM 749 N ALA A 49 2.320 3.286 9.366 1.00 0.00 N ATOM 750 CA ALA A 49 1.505 3.422 10.636 1.00 0.00 C ATOM 751 C ALA A 49 1.333 4.822 11.262 1.00 0.00 C ATOM 752 O ALA A 49 0.136 5.166 11.517 1.00 0.00 O ATOM 753 CB ALA A 49 1.976 2.447 11.641 1.00 0.00 C ATOM 0 H ALA A 49 3.165 2.735 9.516 1.00 0.00 H new ATOM 0 HA ALA A 49 0.491 3.208 10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.386 2.550 12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.864 1.436 11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.026 2.634 11.866 1.00 0.00 H new ATOM 759 N GLU A 50 2.385 5.637 11.444 1.00 0.00 N ATOM 760 CA GLU A 50 2.215 7.142 11.658 1.00 0.00 C ATOM 761 C GLU A 50 1.433 7.917 10.547 1.00 0.00 C ATOM 762 O GLU A 50 0.488 8.687 10.869 1.00 0.00 O ATOM 763 CB GLU A 50 3.630 7.719 11.941 1.00 0.00 C ATOM 764 CG GLU A 50 3.708 9.181 12.147 1.00 0.00 C ATOM 765 CD GLU A 50 5.105 9.663 12.546 1.00 0.00 C ATOM 766 OE1 GLU A 50 5.773 10.429 11.865 1.00 0.00 O ATOM 767 OE2 GLU A 50 5.497 9.272 13.825 1.00 0.00 O ATOM 0 H GLU A 50 3.354 5.319 11.453 1.00 0.00 H new ATOM 0 HA GLU A 50 1.550 7.291 12.509 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.030 7.226 12.827 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.281 7.455 11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.405 9.687 11.230 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.997 9.470 12.921 1.00 0.00 H new ATOM 775 N LEU A 51 1.827 7.827 9.230 1.00 0.00 N ATOM 776 CA LEU A 51 0.924 8.232 8.108 1.00 0.00 C ATOM 777 C LEU A 51 -0.621 7.712 8.140 1.00 0.00 C ATOM 778 O LEU A 51 -1.493 8.548 8.201 1.00 0.00 O ATOM 779 CB LEU A 51 1.700 8.042 6.805 1.00 0.00 C ATOM 780 CG LEU A 51 1.058 8.323 5.469 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.321 7.119 4.815 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.177 9.571 5.461 1.00 0.00 C ATOM 0 H LEU A 51 2.741 7.486 8.932 1.00 0.00 H new ATOM 0 HA LEU A 51 0.682 9.288 8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.590 8.668 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.040 7.007 6.784 1.00 0.00 H new ATOM 0 HG LEU A 51 1.921 8.521 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.104 7.428 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.027 6.305 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.478 6.779 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.250 9.709 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.626 9.454 6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.778 10.442 5.721 1.00 0.00 H new ATOM 794 N ALA A 52 -0.879 6.458 8.380 1.00 0.00 N ATOM 795 CA ALA A 52 -2.252 5.927 8.708 1.00 0.00 C ATOM 796 C ALA A 52 -2.994 6.724 9.793 1.00 0.00 C ATOM 797 O ALA A 52 -4.181 6.969 9.664 1.00 0.00 O ATOM 798 CB ALA A 52 -2.152 4.399 8.963 1.00 0.00 C ATOM 0 H ALA A 52 -0.160 5.734 8.363 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.902 6.077 7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.140 4.004 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.770 3.905 8.070 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.476 4.213 9.798 1.00 0.00 H new ATOM 804 N LYS A 53 -2.351 6.996 10.938 1.00 0.00 N ATOM 805 CA LYS A 53 -2.860 7.889 12.030 1.00 0.00 C ATOM 806 C LYS A 53 -3.220 9.317 11.652 1.00 0.00 C ATOM 807 O LYS A 53 -4.355 9.784 11.864 1.00 0.00 O ATOM 808 CB LYS A 53 -1.919 7.796 13.234 1.00 0.00 C ATOM 809 CG LYS A 53 -2.172 6.578 14.165 1.00 0.00 C ATOM 810 CD LYS A 53 -1.193 6.475 15.345 1.00 0.00 C ATOM 811 CE LYS A 53 0.197 5.981 14.975 1.00 0.00 C ATOM 812 NZ LYS A 53 0.916 5.829 16.229 1.00 0.00 N ATOM 0 H LYS A 53 -1.436 6.598 11.152 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.844 7.501 12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.892 7.752 12.872 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.011 8.710 13.821 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.188 6.637 14.554 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.110 5.664 13.574 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.103 7.456 15.812 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.615 5.804 16.093 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.144 5.034 14.438 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.702 6.691 14.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.881 5.491 16.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.961 6.746 16.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.421 5.141 16.832 1.00 0.00 H new ATOM 825 N LYS A 54 -2.301 9.983 10.870 1.00 0.00 N ATOM 826 CA LYS A 54 -2.472 11.338 10.209 1.00 0.00 C ATOM 827 C LYS A 54 -3.756 11.472 9.282 1.00 0.00 C ATOM 828 O LYS A 54 -4.365 12.558 9.279 1.00 0.00 O ATOM 829 CB LYS A 54 -1.068 11.547 9.512 1.00 0.00 C ATOM 830 CG LYS A 54 -0.741 13.001 9.097 1.00 0.00 C ATOM 831 CD LYS A 54 0.580 13.296 8.480 1.00 0.00 C ATOM 832 CE LYS A 54 1.808 13.000 9.385 1.00 0.00 C ATOM 833 NZ LYS A 54 3.058 13.398 8.828 1.00 0.00 N ATOM 0 H LYS A 54 -1.385 9.579 10.673 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.701 12.142 10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.290 11.197 10.190 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.025 10.916 8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.511 13.324 8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.836 13.626 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.674 12.714 7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.604 14.347 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.671 13.507 10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.841 11.931 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.824 13.166 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.214 12.896 7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.050 14.423 8.654 1.00 0.00 H new ATOM 846 N PHE A 55 -4.099 10.349 8.572 1.00 0.00 N ATOM 847 CA PHE A 55 -4.900 10.294 7.306 1.00 0.00 C ATOM 848 C PHE A 55 -5.960 9.174 7.397 1.00 0.00 C ATOM 849 O PHE A 55 -5.626 8.001 7.363 1.00 0.00 O ATOM 850 CB PHE A 55 -3.777 10.082 6.170 1.00 0.00 C ATOM 851 CG PHE A 55 -3.322 11.456 5.525 1.00 0.00 C ATOM 852 CD1 PHE A 55 -4.241 12.100 4.706 1.00 0.00 C ATOM 853 CD2 PHE A 55 -2.024 11.973 5.724 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.867 13.292 4.084 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.679 13.162 5.052 1.00 0.00 C ATOM 856 CZ PHE A 55 -2.583 13.817 4.246 1.00 0.00 C ATOM 0 H PHE A 55 -3.812 9.420 8.881 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.492 11.184 7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.912 9.581 6.604 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.168 9.427 5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.227 11.686 4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.318 11.473 6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.582 13.817 3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.685 13.568 5.171 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.301 14.730 3.743 1.00 0.00 H new ATOM 866 N PRO A 56 -7.260 9.530 7.674 1.00 0.00 N ATOM 867 CA PRO A 56 -8.446 8.626 7.652 1.00 0.00 C ATOM 868 C PRO A 56 -9.136 8.333 6.239 1.00 0.00 C ATOM 869 O PRO A 56 -9.981 7.495 6.138 1.00 0.00 O ATOM 870 CB PRO A 56 -9.415 9.361 8.606 1.00 0.00 C ATOM 871 CG PRO A 56 -9.209 10.862 8.367 1.00 0.00 C ATOM 872 CD PRO A 56 -7.754 10.928 7.907 1.00 0.00 C ATOM 0 HA PRO A 56 -8.150 7.616 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.448 9.075 8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.208 9.102 9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.891 11.250 7.611 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.374 11.444 9.274 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.673 11.515 6.992 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.142 11.425 8.660 1.00 0.00 H new ATOM 880 N ASN A 57 -8.980 9.161 5.140 1.00 0.00 N ATOM 881 CA ASN A 57 -9.495 8.847 3.783 1.00 0.00 C ATOM 882 C ASN A 57 -9.033 7.527 3.093 1.00 0.00 C ATOM 883 O ASN A 57 -9.459 7.335 1.863 1.00 0.00 O ATOM 884 CB ASN A 57 -9.305 10.053 2.855 1.00 0.00 C ATOM 885 CG ASN A 57 -7.865 10.610 2.690 1.00 0.00 C ATOM 886 OD1 ASN A 57 -6.957 9.952 2.234 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.707 11.851 3.173 1.00 0.00 N ATOM 0 H ASN A 57 -8.493 10.056 5.189 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.549 8.639 3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.675 9.779 1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.939 10.861 3.220 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.785 12.287 3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.509 12.359 3.545 1.00 0.00 H new ATOM 894 N VAL A 58 -8.210 6.779 3.775 1.00 0.00 N ATOM 895 CA VAL A 58 -7.336 5.909 3.071 1.00 0.00 C ATOM 896 C VAL A 58 -7.032 4.661 3.899 1.00 0.00 C ATOM 897 O VAL A 58 -6.556 4.692 5.031 1.00 0.00 O ATOM 898 CB VAL A 58 -6.080 6.797 2.652 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.478 7.697 3.773 1.00 0.00 C ATOM 900 CG2 VAL A 58 -4.969 6.149 1.827 1.00 0.00 C ATOM 0 H VAL A 58 -8.133 6.759 4.792 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.772 5.495 2.162 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.601 7.443 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.630 8.255 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.238 8.394 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.145 7.072 4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.190 6.884 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.544 5.313 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.380 5.788 0.884 1.00 0.00 H new ATOM 910 N THR A 59 -7.391 3.531 3.337 1.00 0.00 N ATOM 911 CA THR A 59 -7.024 2.133 3.740 1.00 0.00 C ATOM 912 C THR A 59 -5.562 1.833 3.323 1.00 0.00 C ATOM 913 O THR A 59 -4.957 2.504 2.511 1.00 0.00 O ATOM 914 CB THR A 59 -8.048 1.217 3.046 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.344 1.486 3.637 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.864 -0.311 3.045 1.00 0.00 C ATOM 0 H THR A 59 -7.997 3.531 2.517 1.00 0.00 H new ATOM 0 HA THR A 59 -7.061 1.977 4.818 1.00 0.00 H new ATOM 0 HB THR A 59 -7.914 1.477 1.996 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.766 0.641 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.689 -0.776 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.923 -0.564 2.556 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.849 -0.676 4.072 1.00 0.00 H new ATOM 924 N PHE A 60 -4.999 0.794 4.053 1.00 0.00 N ATOM 925 CA PHE A 60 -3.545 0.446 4.013 1.00 0.00 C ATOM 926 C PHE A 60 -3.440 -1.081 4.249 1.00 0.00 C ATOM 927 O PHE A 60 -4.021 -1.698 5.095 1.00 0.00 O ATOM 928 CB PHE A 60 -2.697 1.234 5.051 1.00 0.00 C ATOM 929 CG PHE A 60 -2.689 2.761 4.828 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.938 3.367 3.867 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.485 3.563 5.653 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.931 4.761 3.734 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.556 4.916 5.500 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.767 5.536 4.544 1.00 0.00 C ATOM 0 H PHE A 60 -5.543 0.193 4.671 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.134 0.728 3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.079 1.025 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.671 0.867 5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.340 2.765 3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.062 3.095 6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.284 5.235 3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.222 5.500 6.119 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.798 6.609 4.426 1.00 0.00 H new ATOM 944 N LEU A 61 -2.543 -1.610 3.397 1.00 0.00 N ATOM 945 CA LEU A 61 -2.297 -3.053 3.326 1.00 0.00 C ATOM 946 C LEU A 61 -0.875 -3.368 2.829 1.00 0.00 C ATOM 947 O LEU A 61 -0.251 -2.606 2.094 1.00 0.00 O ATOM 948 CB LEU A 61 -3.478 -3.777 2.649 1.00 0.00 C ATOM 949 CG LEU A 61 -3.487 -3.977 1.087 1.00 0.00 C ATOM 950 CD1 LEU A 61 -2.901 -5.297 0.578 1.00 0.00 C ATOM 951 CD2 LEU A 61 -4.921 -3.861 0.606 1.00 0.00 C ATOM 0 H LEU A 61 -1.980 -1.057 2.751 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.283 -3.488 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.556 -4.765 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.385 -3.233 2.912 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.833 -3.203 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.959 -5.325 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.859 -5.376 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.467 -6.131 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.954 -3.996 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.529 -4.628 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.312 -2.876 0.861 1.00 0.00 H new ATOM 963 N LYS A 62 -0.374 -4.528 3.194 1.00 0.00 N ATOM 964 CA LYS A 62 1.004 -4.973 2.985 1.00 0.00 C ATOM 965 C LYS A 62 0.914 -6.544 2.704 1.00 0.00 C ATOM 966 O LYS A 62 0.692 -7.446 3.529 1.00 0.00 O ATOM 967 CB LYS A 62 2.016 -4.609 4.086 1.00 0.00 C ATOM 968 CG LYS A 62 1.729 -4.982 5.540 1.00 0.00 C ATOM 969 CD LYS A 62 2.794 -4.723 6.600 1.00 0.00 C ATOM 970 CE LYS A 62 2.544 -5.511 7.930 1.00 0.00 C ATOM 971 NZ LYS A 62 3.450 -4.974 8.996 1.00 0.00 N ATOM 0 H LYS A 62 -0.940 -5.230 3.671 1.00 0.00 H new ATOM 0 HA LYS A 62 1.425 -4.426 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.968 -5.066 3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.160 -3.529 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.828 -4.449 5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.493 -6.046 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.770 -4.998 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.828 -3.656 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.503 -5.411 8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.731 -6.574 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.289 -5.493 9.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.440 -5.091 8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.250 -3.964 9.145 1.00 0.00 H new ATOM 984 N VAL A 63 1.337 -6.824 1.487 1.00 0.00 N ATOM 985 CA VAL A 63 1.614 -8.157 0.868 1.00 0.00 C ATOM 986 C VAL A 63 3.067 -8.697 1.259 1.00 0.00 C ATOM 987 O VAL A 63 4.039 -8.088 0.804 1.00 0.00 O ATOM 988 CB VAL A 63 1.263 -8.073 -0.621 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.716 -9.320 -1.397 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.249 -7.995 -0.854 1.00 0.00 C ATOM 0 H VAL A 63 1.520 -6.071 0.824 1.00 0.00 H new ATOM 0 HA VAL A 63 0.976 -8.942 1.273 1.00 0.00 H new ATOM 0 HB VAL A 63 1.773 -7.175 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.445 -9.213 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.797 -9.430 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.228 -10.203 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.450 -7.937 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.727 -8.884 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.648 -7.108 -0.361 1.00 0.00 H new ATOM 1000 N ASP A 64 3.101 -9.923 1.821 1.00 0.00 N ATOM 1001 CA ASP A 64 4.260 -10.812 1.711 1.00 0.00 C ATOM 1002 C ASP A 64 4.572 -11.226 0.208 1.00 0.00 C ATOM 1003 O ASP A 64 3.779 -11.921 -0.400 1.00 0.00 O ATOM 1004 CB ASP A 64 4.086 -12.017 2.670 1.00 0.00 C ATOM 1005 CG ASP A 64 5.293 -12.990 2.699 1.00 0.00 C ATOM 1006 OD1 ASP A 64 5.680 -13.821 1.895 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.919 -12.935 3.908 1.00 0.00 O ATOM 0 H ASP A 64 2.328 -10.316 2.359 1.00 0.00 H new ATOM 0 HA ASP A 64 5.151 -10.269 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.913 -11.641 3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.194 -12.572 2.379 1.00 0.00 H new ATOM 1013 N VAL A 65 5.538 -10.696 -0.413 1.00 0.00 N ATOM 1014 CA VAL A 65 5.971 -11.111 -1.735 1.00 0.00 C ATOM 1015 C VAL A 65 6.310 -12.617 -1.963 1.00 0.00 C ATOM 1016 O VAL A 65 5.835 -13.189 -2.916 1.00 0.00 O ATOM 1017 CB VAL A 65 7.138 -10.249 -2.301 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.575 -10.663 -2.140 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.801 -9.883 -3.723 1.00 0.00 C ATOM 0 H VAL A 65 6.090 -9.930 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 65 5.048 -10.937 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 65 7.164 -9.401 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.222 -9.921 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.816 -10.738 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.730 -11.631 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.604 -9.278 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.684 -10.791 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.871 -9.315 -3.742 1.00 0.00 H new ATOM 1029 N ASP A 66 7.085 -13.291 -1.122 1.00 0.00 N ATOM 1030 CA ASP A 66 7.325 -14.841 -1.176 1.00 0.00 C ATOM 1031 C ASP A 66 6.037 -15.617 -1.536 1.00 0.00 C ATOM 1032 O ASP A 66 5.894 -16.236 -2.610 1.00 0.00 O ATOM 1033 CB ASP A 66 8.077 -15.357 -0.023 1.00 0.00 C ATOM 1034 CG ASP A 66 9.450 -14.735 0.403 1.00 0.00 C ATOM 1035 OD1 ASP A 66 9.564 -14.106 1.430 1.00 0.00 O ATOM 1036 OD2 ASP A 66 10.461 -15.075 -0.403 1.00 0.00 O ATOM 0 H ASP A 66 7.592 -12.836 -0.362 1.00 0.00 H new ATOM 0 HA ASP A 66 8.000 -15.033 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.417 -15.290 0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.253 -16.417 -0.208 1.00 0.00 H new ATOM 1042 N GLU A 67 4.953 -15.345 -0.754 1.00 0.00 N ATOM 1043 CA GLU A 67 3.557 -15.841 -0.854 1.00 0.00 C ATOM 1044 C GLU A 67 2.810 -15.332 -2.183 1.00 0.00 C ATOM 1045 O GLU A 67 1.907 -16.020 -2.633 1.00 0.00 O ATOM 1046 CB GLU A 67 2.760 -15.405 0.404 1.00 0.00 C ATOM 1047 CG GLU A 67 2.662 -16.470 1.508 1.00 0.00 C ATOM 1048 CD GLU A 67 3.852 -16.788 2.341 1.00 0.00 C ATOM 1049 OE1 GLU A 67 4.104 -15.983 3.261 1.00 0.00 O ATOM 1050 OE2 GLU A 67 4.532 -18.006 2.075 1.00 0.00 O ATOM 0 H GLU A 67 5.049 -14.710 0.039 1.00 0.00 H new ATOM 0 HA GLU A 67 3.602 -16.928 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.226 -14.512 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.752 -15.125 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.865 -16.163 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.339 -17.398 1.036 1.00 0.00 H new ATOM 1058 N LEU A 68 3.008 -14.159 -2.797 1.00 0.00 N ATOM 1059 CA LEU A 68 2.247 -13.485 -3.894 1.00 0.00 C ATOM 1060 C LEU A 68 3.220 -12.627 -4.763 1.00 0.00 C ATOM 1061 O LEU A 68 3.000 -11.460 -5.087 1.00 0.00 O ATOM 1062 CB LEU A 68 1.125 -12.567 -3.256 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.152 -13.166 -2.543 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -1.104 -12.068 -2.081 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -0.870 -14.140 -3.495 1.00 0.00 C ATOM 0 H LEU A 68 3.797 -13.578 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 68 1.780 -14.234 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.621 -11.929 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.763 -11.917 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 68 0.176 -13.706 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.970 -12.518 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.591 -11.415 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.432 -11.485 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.750 -14.551 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.176 -13.609 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.193 -14.951 -3.764 1.00 0.00 H new ATOM 1077 N LYS A 69 4.220 -13.251 -5.303 1.00 0.00 N ATOM 1078 CA LYS A 69 5.246 -12.784 -6.249 1.00 0.00 C ATOM 1079 C LYS A 69 4.820 -12.530 -7.735 1.00 0.00 C ATOM 1080 O LYS A 69 5.199 -11.515 -8.387 1.00 0.00 O ATOM 1081 CB LYS A 69 6.551 -13.633 -6.237 1.00 0.00 C ATOM 1082 CG LYS A 69 6.383 -15.119 -6.325 1.00 0.00 C ATOM 1083 CD LYS A 69 7.702 -15.840 -5.976 1.00 0.00 C ATOM 1084 CE LYS A 69 7.574 -17.360 -6.141 1.00 0.00 C ATOM 1085 NZ LYS A 69 8.762 -18.136 -5.640 1.00 0.00 N ATOM 0 H LYS A 69 4.376 -14.233 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 69 5.431 -11.796 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.175 -13.310 -7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.098 -13.405 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.595 -15.442 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.067 -15.395 -7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.501 -15.470 -6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.984 -15.607 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.683 -17.698 -5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.423 -17.588 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.599 -19.153 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.613 -17.843 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.896 -17.949 -4.626 1.00 0.00 H new ATOM 1098 N ALA A 70 4.027 -13.500 -8.341 1.00 0.00 N ATOM 1099 CA ALA A 70 3.347 -13.415 -9.725 1.00 0.00 C ATOM 1100 C ALA A 70 2.393 -12.194 -9.889 1.00 0.00 C ATOM 1101 O ALA A 70 2.489 -11.506 -10.891 1.00 0.00 O ATOM 1102 CB ALA A 70 2.745 -14.804 -10.073 1.00 0.00 C ATOM 0 H ALA A 70 3.833 -14.387 -7.877 1.00 0.00 H new ATOM 0 HA ALA A 70 4.097 -13.193 -10.485 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.262 -14.757 -11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.540 -15.549 -10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.010 -15.082 -9.317 1.00 0.00 H new ATOM 1108 N VAL A 71 1.514 -12.071 -8.967 1.00 0.00 N ATOM 1109 CA VAL A 71 0.648 -10.884 -8.801 1.00 0.00 C ATOM 1110 C VAL A 71 1.240 -9.506 -8.530 1.00 0.00 C ATOM 1111 O VAL A 71 0.835 -8.465 -9.082 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.565 -11.159 -7.827 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.130 -11.338 -6.330 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.651 -9.996 -7.975 1.00 0.00 C ATOM 0 H VAL A 71 1.344 -12.794 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 71 0.334 -10.773 -9.839 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.007 -12.111 -8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.011 -11.524 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.554 -12.182 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.369 -10.432 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.486 -10.190 -7.301 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.196 -9.039 -7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.013 -9.965 -9.003 1.00 0.00 H new ATOM 1124 N ALA A 72 2.127 -9.491 -7.528 1.00 0.00 N ATOM 1125 CA ALA A 72 3.013 -8.336 -7.286 1.00 0.00 C ATOM 1126 C ALA A 72 3.774 -7.762 -8.553 1.00 0.00 C ATOM 1127 O ALA A 72 3.663 -6.587 -8.979 1.00 0.00 O ATOM 1128 CB ALA A 72 4.095 -8.595 -6.202 1.00 0.00 C ATOM 0 H ALA A 72 2.254 -10.261 -6.871 1.00 0.00 H new ATOM 0 HA ALA A 72 2.287 -7.595 -6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.708 -7.702 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.611 -8.836 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.726 -9.429 -6.510 1.00 0.00 H new ATOM 1134 N GLU A 73 4.455 -8.732 -9.277 1.00 0.00 N ATOM 1135 CA GLU A 73 5.008 -8.473 -10.633 1.00 0.00 C ATOM 1136 C GLU A 73 3.887 -7.957 -11.585 1.00 0.00 C ATOM 1137 O GLU A 73 4.105 -6.851 -12.063 1.00 0.00 O ATOM 1138 CB GLU A 73 5.626 -9.729 -11.202 1.00 0.00 C ATOM 1139 CG GLU A 73 6.998 -10.226 -10.726 1.00 0.00 C ATOM 1140 CD GLU A 73 7.528 -11.399 -11.533 1.00 0.00 C ATOM 1141 OE1 GLU A 73 7.327 -12.541 -11.163 1.00 0.00 O ATOM 1142 OE2 GLU A 73 8.117 -11.141 -12.653 1.00 0.00 O ATOM 0 H GLU A 73 4.622 -9.678 -8.934 1.00 0.00 H new ATOM 0 HA GLU A 73 5.781 -7.709 -10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.917 -10.539 -11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.695 -9.589 -12.281 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.713 -9.405 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.927 -10.518 -9.678 1.00 0.00 H new ATOM 1150 N GLU A 74 2.679 -8.608 -11.725 1.00 0.00 N ATOM 1151 CA GLU A 74 1.455 -8.016 -12.430 1.00 0.00 C ATOM 1152 C GLU A 74 1.035 -6.529 -12.234 1.00 0.00 C ATOM 1153 O GLU A 74 0.946 -5.806 -13.236 1.00 0.00 O ATOM 1154 CB GLU A 74 0.219 -8.962 -12.669 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.056 -8.925 -11.708 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.180 -9.875 -12.123 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.039 -10.763 -12.984 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.325 -9.519 -11.512 1.00 0.00 O ATOM 0 H GLU A 74 2.516 -9.547 -11.361 1.00 0.00 H new ATOM 0 HA GLU A 74 2.006 -7.946 -13.368 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.140 -8.766 -13.679 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.595 -9.985 -12.657 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.741 -9.174 -10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.447 -7.908 -11.680 1.00 0.00 H new ATOM 1166 N TRP A 75 0.812 -6.048 -11.005 1.00 0.00 N ATOM 1167 CA TRP A 75 0.698 -4.566 -10.679 1.00 0.00 C ATOM 1168 C TRP A 75 1.890 -3.655 -11.054 1.00 0.00 C ATOM 1169 O TRP A 75 1.645 -2.664 -11.711 1.00 0.00 O ATOM 1170 CB TRP A 75 0.396 -4.247 -9.196 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.741 -5.045 -8.522 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.504 -5.806 -7.405 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.069 -5.345 -8.892 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.614 -6.610 -7.019 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.524 -6.391 -7.927 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -2.683 -5.348 -10.132 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -3.579 -7.232 -8.121 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -3.821 -6.098 -10.341 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.246 -7.100 -9.402 1.00 0.00 C ATOM 0 H TRP A 75 0.701 -6.650 -10.189 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.145 -4.335 -11.330 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.309 -4.409 -8.623 1.00 0.00 H new ATOM 0 HB3 TRP A 75 0.156 -3.186 -9.120 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.434 -5.796 -6.870 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -1.683 -7.224 -6.208 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.270 -4.761 -10.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -3.895 -7.945 -7.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.407 -5.928 -11.232 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.066 -7.757 -9.652 1.00 0.00 H new ATOM 1190 N ASN A 76 3.131 -4.068 -10.706 1.00 0.00 N ATOM 1191 CA ASN A 76 4.330 -3.796 -11.433 1.00 0.00 C ATOM 1192 C ASN A 76 5.451 -3.747 -10.347 1.00 0.00 C ATOM 1193 O ASN A 76 5.955 -2.748 -9.851 1.00 0.00 O ATOM 1194 CB ASN A 76 4.408 -2.610 -12.437 1.00 0.00 C ATOM 1195 CG ASN A 76 5.616 -2.712 -13.419 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.631 -3.475 -14.349 1.00 0.00 O ATOM 1197 ND2 ASN A 76 6.742 -2.112 -13.076 1.00 0.00 N ATOM 0 H ASN A 76 3.299 -4.624 -9.867 1.00 0.00 H new ATOM 0 HA ASN A 76 4.424 -4.592 -12.171 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.483 -2.569 -13.012 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.479 -1.676 -11.880 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.599 -2.300 -13.596 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.754 -1.461 -12.291 1.00 0.00 H new ATOM 1204 N VAL A 77 5.997 -4.978 -9.966 1.00 0.00 N ATOM 1205 CA VAL A 77 6.903 -5.142 -8.770 1.00 0.00 C ATOM 1206 C VAL A 77 7.910 -6.317 -9.164 1.00 0.00 C ATOM 1207 O VAL A 77 7.839 -7.505 -8.758 1.00 0.00 O ATOM 1208 CB VAL A 77 6.199 -5.514 -7.396 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.248 -5.553 -6.239 1.00 0.00 C ATOM 1210 CG2 VAL A 77 4.974 -4.630 -7.021 1.00 0.00 C ATOM 0 H VAL A 77 5.820 -5.847 -10.470 1.00 0.00 H new ATOM 0 HA VAL A 77 7.367 -4.175 -8.575 1.00 0.00 H new ATOM 0 HB VAL A 77 5.779 -6.509 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.749 -5.809 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.008 -6.302 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.720 -4.575 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.564 -4.963 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.288 -3.590 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.211 -4.718 -7.795 1.00 0.00 H new ATOM 1220 N GLU A 78 9.042 -5.899 -9.737 1.00 0.00 N ATOM 1221 CA GLU A 78 10.319 -6.628 -9.789 1.00 0.00 C ATOM 1222 C GLU A 78 11.352 -6.212 -8.681 1.00 0.00 C ATOM 1223 O GLU A 78 12.527 -6.685 -8.773 1.00 0.00 O ATOM 1224 CB GLU A 78 10.931 -6.608 -11.211 1.00 0.00 C ATOM 1225 CG GLU A 78 11.244 -5.260 -11.857 1.00 0.00 C ATOM 1226 CD GLU A 78 12.000 -4.091 -11.122 1.00 0.00 C ATOM 1227 OE1 GLU A 78 13.224 -4.081 -11.020 1.00 0.00 O ATOM 1228 OE2 GLU A 78 11.198 -3.058 -10.809 1.00 0.00 O ATOM 0 H GLU A 78 9.099 -4.994 -10.204 1.00 0.00 H new ATOM 0 HA GLU A 78 10.072 -7.663 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.857 -7.182 -11.180 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.247 -7.140 -11.872 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.820 -5.479 -12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.289 -4.848 -12.183 1.00 0.00 H new ATOM 1236 N ALA A 79 10.922 -5.457 -7.619 1.00 0.00 N ATOM 1237 CA ALA A 79 11.762 -4.748 -6.595 1.00 0.00 C ATOM 1238 C ALA A 79 11.024 -4.576 -5.282 1.00 0.00 C ATOM 1239 O ALA A 79 9.931 -3.999 -5.098 1.00 0.00 O ATOM 1240 CB ALA A 79 12.409 -3.416 -7.089 1.00 0.00 C ATOM 0 H ALA A 79 9.926 -5.320 -7.445 1.00 0.00 H new ATOM 0 HA ALA A 79 12.609 -5.411 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.996 -2.976 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.058 -3.621 -7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.625 -2.720 -7.389 1.00 0.00 H new ATOM 1246 N MET A 80 11.838 -4.903 -4.311 1.00 0.00 N ATOM 1247 CA MET A 80 11.704 -4.519 -2.853 1.00 0.00 C ATOM 1248 C MET A 80 12.272 -3.053 -2.715 1.00 0.00 C ATOM 1249 O MET A 80 13.479 -2.935 -3.011 1.00 0.00 O ATOM 1250 CB MET A 80 12.398 -5.505 -1.894 1.00 0.00 C ATOM 1251 CG MET A 80 11.565 -6.715 -1.617 1.00 0.00 C ATOM 1252 SD MET A 80 10.676 -7.421 -3.054 1.00 0.00 S ATOM 1253 CE MET A 80 9.008 -6.785 -2.842 1.00 0.00 C ATOM 0 H MET A 80 12.667 -5.473 -4.482 1.00 0.00 H new ATOM 0 HA MET A 80 10.656 -4.560 -2.558 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.351 -5.814 -2.323 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.621 -4.998 -0.955 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.210 -7.488 -1.198 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.833 -6.460 -0.851 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.556 -6.616 -3.819 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.411 -7.508 -2.287 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.044 -5.845 -2.291 1.00 0.00 H new ATOM 1263 N PRO A 81 11.517 -1.945 -2.311 1.00 0.00 N ATOM 1264 CA PRO A 81 10.006 -2.171 -2.192 1.00 0.00 C ATOM 1265 C PRO A 81 9.107 -0.941 -2.493 1.00 0.00 C ATOM 1266 O PRO A 81 9.462 0.236 -2.579 1.00 0.00 O ATOM 1267 CB PRO A 81 10.110 -2.148 -0.602 1.00 0.00 C ATOM 1268 CG PRO A 81 11.237 -1.101 -0.289 1.00 0.00 C ATOM 1269 CD PRO A 81 12.098 -0.956 -1.541 1.00 0.00 C ATOM 0 HA PRO A 81 9.606 -2.978 -2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.163 -1.857 -0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.364 -3.132 -0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.801 -0.141 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.842 -1.432 0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.021 0.032 -1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.156 -1.137 -1.349 1.00 0.00 H new ATOM 1277 N THR A 82 7.937 -1.405 -2.880 1.00 0.00 N ATOM 1278 CA THR A 82 7.062 -0.749 -3.846 1.00 0.00 C ATOM 1279 C THR A 82 5.663 -0.544 -3.217 1.00 0.00 C ATOM 1280 O THR A 82 4.906 -1.440 -2.844 1.00 0.00 O ATOM 1281 CB THR A 82 6.966 -1.629 -5.148 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.228 -1.910 -5.796 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.267 -0.663 -6.253 1.00 0.00 C ATOM 0 H THR A 82 7.550 -2.278 -2.522 1.00 0.00 H new ATOM 0 HA THR A 82 7.469 0.226 -4.115 1.00 0.00 H new ATOM 0 HB THR A 82 6.478 -2.559 -4.856 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.645 -2.691 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.163 -1.203 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.282 -0.358 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.887 0.220 -6.408 1.00 0.00 H new ATOM 1291 N PHE A 83 5.400 0.714 -3.107 1.00 0.00 N ATOM 1292 CA PHE A 83 4.059 1.285 -2.956 1.00 0.00 C ATOM 1293 C PHE A 83 3.324 1.594 -4.308 1.00 0.00 C ATOM 1294 O PHE A 83 3.837 2.002 -5.327 1.00 0.00 O ATOM 1295 CB PHE A 83 4.167 2.495 -2.052 1.00 0.00 C ATOM 1296 CG PHE A 83 4.738 2.336 -0.650 1.00 0.00 C ATOM 1297 CD1 PHE A 83 6.148 2.342 -0.500 1.00 0.00 C ATOM 1298 CD2 PHE A 83 3.930 2.036 0.441 1.00 0.00 C ATOM 1299 CE1 PHE A 83 6.698 2.109 0.753 1.00 0.00 C ATOM 1300 CE2 PHE A 83 4.485 1.864 1.651 1.00 0.00 C ATOM 1301 CZ PHE A 83 5.919 1.934 1.852 1.00 0.00 C ATOM 0 H PHE A 83 6.132 1.424 -3.118 1.00 0.00 H new ATOM 0 HA PHE A 83 3.416 0.532 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.776 3.236 -2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.167 2.917 -1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.787 2.526 -1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.861 1.942 0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.772 2.066 0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.845 1.668 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.352 1.850 2.838 1.00 0.00 H new ATOM 1311 N ILE A 84 2.066 1.100 -4.322 1.00 0.00 N ATOM 1312 CA ILE A 84 1.070 1.068 -5.479 1.00 0.00 C ATOM 1313 C ILE A 84 -0.170 1.778 -4.805 1.00 0.00 C ATOM 1314 O ILE A 84 -0.486 1.577 -3.621 1.00 0.00 O ATOM 1315 CB ILE A 84 0.940 -0.390 -6.068 1.00 0.00 C ATOM 1316 CG1 ILE A 84 2.039 -0.689 -7.008 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.394 -0.706 -6.803 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.826 -1.962 -6.715 1.00 0.00 C ATOM 0 H ILE A 84 1.668 0.679 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 84 1.316 1.586 -6.406 1.00 0.00 H new ATOM 0 HB ILE A 84 0.978 -1.017 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.624 -0.763 -8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.731 0.153 -7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.375 -1.733 -7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.228 -0.581 -6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.515 -0.025 -7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.608 -2.087 -7.464 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.279 -1.890 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.154 -2.820 -6.745 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.763 2.601 -5.649 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.729 3.656 -5.255 1.00 0.00 C ATOM 1332 C PHE A 85 -2.938 3.594 -6.284 1.00 0.00 C ATOM 1333 O PHE A 85 -2.843 3.841 -7.450 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.066 5.080 -5.381 1.00 0.00 C ATOM 1335 CG PHE A 85 0.185 5.336 -4.493 1.00 0.00 C ATOM 1336 CD1 PHE A 85 0.021 5.800 -3.220 1.00 0.00 C ATOM 1337 CD2 PHE A 85 1.479 5.045 -4.991 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.135 5.948 -2.387 1.00 0.00 C ATOM 1339 CE2 PHE A 85 2.586 5.256 -4.191 1.00 0.00 C ATOM 1340 CZ PHE A 85 2.452 5.633 -2.874 1.00 0.00 C ATOM 0 H PHE A 85 -0.595 2.569 -6.655 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.051 3.497 -4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.785 5.236 -6.422 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.818 5.831 -5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.965 6.052 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 85 1.600 4.660 -5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.006 6.300 -1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.574 5.123 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.312 5.691 -2.224 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.137 3.302 -5.639 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.310 2.869 -6.447 1.00 0.00 C ATOM 1352 C LEU A 86 -6.456 3.470 -5.565 1.00 0.00 C ATOM 1353 O LEU A 86 -6.648 3.311 -4.402 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.259 1.240 -6.450 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.186 0.361 -7.294 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.656 0.564 -7.144 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.707 0.148 -8.744 1.00 0.00 C ATOM 0 H LEU A 86 -4.292 3.359 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.393 3.176 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.241 0.967 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.401 0.928 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.069 -0.606 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.187 -0.125 -7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.946 0.376 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.911 1.589 -7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.419 -0.485 -9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.634 1.112 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.729 -0.333 -8.737 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.293 4.243 -6.312 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.629 4.934 -5.917 1.00 0.00 C ATOM 1371 C LYS A 87 -9.850 4.270 -6.575 1.00 0.00 C ATOM 1372 O LYS A 87 -9.689 3.479 -7.520 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.308 6.435 -6.386 1.00 0.00 C ATOM 1374 CG LYS A 87 -9.269 7.473 -5.667 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.546 8.719 -5.288 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.407 9.770 -4.695 1.00 0.00 C ATOM 1377 NZ LYS A 87 -8.638 10.856 -4.158 1.00 0.00 N ATOM 0 H LYS A 87 -7.066 4.436 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.915 4.870 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.270 6.677 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.424 6.515 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.099 7.720 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.698 7.015 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.760 8.466 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.056 9.124 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.090 10.150 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.019 9.334 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.279 11.568 -3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.004 10.499 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.073 11.289 -4.916 1.00 0.00 H new ATOM 1390 N ASP A 88 -11.042 4.733 -6.149 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.341 4.663 -6.906 1.00 0.00 C ATOM 1392 C ASP A 88 -12.546 5.171 -8.369 1.00 0.00 C ATOM 1393 O ASP A 88 -13.604 5.459 -8.923 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.451 5.322 -5.989 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.621 6.800 -5.911 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -14.679 7.379 -6.264 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.473 7.455 -5.548 1.00 0.00 O ATOM 0 H ASP A 88 -11.147 5.184 -5.240 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.383 3.592 -7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.409 4.909 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.272 4.970 -4.973 1.00 0.00 H new ATOM 1403 N GLY A 89 -11.380 5.347 -8.996 1.00 0.00 N ATOM 1404 CA GLY A 89 -11.136 5.852 -10.334 1.00 0.00 C ATOM 1405 C GLY A 89 -9.863 5.252 -10.965 1.00 0.00 C ATOM 1406 O GLY A 89 -9.132 5.992 -11.604 1.00 0.00 O ATOM 0 H GLY A 89 -10.504 5.115 -8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.994 5.625 -10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.044 6.938 -10.299 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.622 3.963 -10.855 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.449 3.141 -11.331 1.00 0.00 C ATOM 1412 C LYS A 90 -7.077 3.581 -10.616 1.00 0.00 C ATOM 1413 O LYS A 90 -7.013 4.439 -9.708 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.439 3.075 -12.920 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.530 2.229 -13.708 1.00 0.00 C ATOM 1416 CD LYS A 90 -10.980 2.714 -13.743 1.00 0.00 C ATOM 1417 CE LYS A 90 -11.831 2.137 -12.590 1.00 0.00 C ATOM 1418 NZ LYS A 90 -13.125 2.913 -12.560 1.00 0.00 N ATOM 0 H LYS A 90 -10.300 3.366 -10.381 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.559 2.105 -11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.506 4.101 -13.283 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.462 2.694 -13.218 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.191 2.140 -14.740 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.532 1.224 -13.285 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.996 3.803 -13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.429 2.434 -14.696 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.022 1.075 -12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.305 2.229 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.728 2.553 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.922 3.920 -12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.618 2.802 -13.469 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.991 3.040 -11.087 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.613 3.384 -10.771 1.00 0.00 C ATOM 1433 C LEU A 91 -4.204 4.874 -11.010 1.00 0.00 C ATOM 1434 O LEU A 91 -4.033 5.339 -12.130 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.695 2.397 -11.577 1.00 0.00 C ATOM 1436 CG LEU A 91 -2.260 2.288 -11.085 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -2.064 1.634 -9.653 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.267 1.750 -12.123 1.00 0.00 C ATOM 0 H LEU A 91 -6.039 2.278 -11.763 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.490 3.276 -9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.146 1.405 -11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.680 2.712 -12.620 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.998 3.336 -10.937 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.002 1.609 -9.407 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.595 2.225 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.459 0.618 -9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.270 1.707 -11.685 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.571 0.750 -12.433 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.254 2.410 -12.990 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.086 5.545 -9.844 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.555 6.880 -9.735 1.00 0.00 C ATOM 1452 C VAL A 92 -1.998 6.930 -9.975 1.00 0.00 C ATOM 1453 O VAL A 92 -1.564 7.800 -10.732 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.125 7.596 -8.408 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.683 7.677 -8.285 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -3.683 7.030 -7.002 1.00 0.00 C ATOM 0 H VAL A 92 -4.368 5.148 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.920 7.500 -10.554 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.659 8.563 -8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.949 8.178 -7.354 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.086 8.239 -9.128 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.101 6.670 -8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.149 7.617 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.995 5.989 -6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.599 7.092 -6.909 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.157 6.111 -9.177 1.00 0.00 N ATOM 1467 CA ASP A 93 0.306 6.330 -9.105 1.00 0.00 C ATOM 1468 C ASP A 93 1.086 5.023 -8.677 1.00 0.00 C ATOM 1469 O ASP A 93 0.564 4.099 -8.103 1.00 0.00 O ATOM 1470 CB ASP A 93 0.650 7.620 -8.240 1.00 0.00 C ATOM 1471 CG ASP A 93 1.756 8.492 -8.940 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.971 8.272 -8.775 1.00 0.00 O ATOM 1473 OD2 ASP A 93 1.177 9.483 -9.766 1.00 0.00 O ATOM 0 H ASP A 93 -1.494 5.332 -8.611 1.00 0.00 H new ATOM 0 HA ASP A 93 0.671 6.545 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.251 8.216 -8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.993 7.317 -7.251 1.00 0.00 H new ATOM 1479 N LYS A 94 2.443 5.059 -8.913 1.00 0.00 N ATOM 1480 CA LYS A 94 3.412 3.974 -8.704 1.00 0.00 C ATOM 1481 C LYS A 94 4.851 4.592 -8.405 1.00 0.00 C ATOM 1482 O LYS A 94 5.218 5.579 -9.016 1.00 0.00 O ATOM 1483 CB LYS A 94 3.505 3.025 -9.989 1.00 0.00 C ATOM 1484 CG LYS A 94 3.670 3.666 -11.380 1.00 0.00 C ATOM 1485 CD LYS A 94 2.331 3.761 -12.142 1.00 0.00 C ATOM 1486 CE LYS A 94 2.430 4.357 -13.556 1.00 0.00 C ATOM 1487 NZ LYS A 94 2.869 5.768 -13.747 1.00 0.00 N ATOM 0 H LYS A 94 2.892 5.901 -9.273 1.00 0.00 H new ATOM 0 HA LYS A 94 3.075 3.378 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.345 2.347 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.603 2.414 -10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.095 4.664 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.379 3.081 -11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.899 2.763 -12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.639 4.366 -11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.113 3.726 -14.125 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.447 4.259 -14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.876 5.995 -14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.212 6.406 -13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.826 5.889 -13.359 1.00 0.00 H new ATOM 1500 N THR A 95 5.521 4.104 -7.298 1.00 0.00 N ATOM 1501 CA THR A 95 6.818 4.554 -6.801 1.00 0.00 C ATOM 1502 C THR A 95 7.398 3.387 -5.876 1.00 0.00 C ATOM 1503 O THR A 95 6.697 2.599 -5.248 1.00 0.00 O ATOM 1504 CB THR A 95 6.725 5.950 -6.110 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.120 6.930 -6.966 1.00 0.00 O ATOM 1506 CG2 THR A 95 8.112 6.477 -5.734 1.00 0.00 C ATOM 0 H THR A 95 5.129 3.356 -6.726 1.00 0.00 H new ATOM 0 HA THR A 95 7.519 4.726 -7.618 1.00 0.00 H new ATOM 0 HB THR A 95 6.114 5.801 -5.219 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.106 6.596 -7.887 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.014 7.451 -5.255 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.592 5.781 -5.046 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.720 6.575 -6.633 1.00 0.00 H new ATOM 1514 N VAL A 96 8.753 3.341 -5.832 1.00 0.00 N ATOM 1515 CA VAL A 96 9.588 2.161 -5.424 1.00 0.00 C ATOM 1516 C VAL A 96 10.728 2.815 -4.611 1.00 0.00 C ATOM 1517 O VAL A 96 11.749 3.237 -5.148 1.00 0.00 O ATOM 1518 CB VAL A 96 9.929 1.183 -6.648 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.293 1.921 -7.946 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.951 0.037 -6.303 1.00 0.00 C ATOM 0 H VAL A 96 9.323 4.147 -6.087 1.00 0.00 H new ATOM 0 HA VAL A 96 9.099 1.419 -4.793 1.00 0.00 H new ATOM 0 HB VAL A 96 8.984 0.675 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.511 1.194 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.456 2.548 -8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.170 2.545 -7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.123 -0.576 -7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.894 0.476 -5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.545 -0.585 -5.505 1.00 0.00 H new ATOM 1530 N GLY A 97 10.609 2.873 -3.287 1.00 0.00 N ATOM 1531 CA GLY A 97 11.690 3.489 -2.435 1.00 0.00 C ATOM 1532 C GLY A 97 11.343 3.312 -0.983 1.00 0.00 C ATOM 1533 O GLY A 97 10.325 2.764 -0.543 1.00 0.00 O ATOM 0 H GLY A 97 9.807 2.518 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.650 3.020 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.793 4.549 -2.669 1.00 0.00 H new ATOM 1537 N ALA A 98 12.239 3.931 -0.208 1.00 0.00 N ATOM 1538 CA ALA A 98 12.320 3.944 1.227 1.00 0.00 C ATOM 1539 C ALA A 98 12.783 5.370 1.759 1.00 0.00 C ATOM 1540 O ALA A 98 13.873 5.894 1.457 1.00 0.00 O ATOM 1541 CB ALA A 98 13.294 2.959 1.808 1.00 0.00 C ATOM 0 H ALA A 98 12.989 4.483 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 98 11.311 3.679 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.288 3.040 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.007 1.949 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.295 3.173 1.434 1.00 0.00 H new ATOM 1547 N ASP A 99 11.919 6.004 2.608 1.00 0.00 N ATOM 1548 CA ASP A 99 12.164 7.319 3.264 1.00 0.00 C ATOM 1549 C ASP A 99 11.045 7.678 4.303 1.00 0.00 C ATOM 1550 O ASP A 99 9.824 7.622 3.994 1.00 0.00 O ATOM 1551 CB ASP A 99 12.292 8.479 2.192 1.00 0.00 C ATOM 1552 CG ASP A 99 12.825 9.809 2.655 1.00 0.00 C ATOM 1553 OD1 ASP A 99 13.662 9.950 3.551 1.00 0.00 O ATOM 1554 OD2 ASP A 99 12.243 10.860 1.972 1.00 0.00 O ATOM 0 H ASP A 99 11.015 5.603 2.858 1.00 0.00 H new ATOM 0 HA ASP A 99 13.107 7.226 3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.936 8.122 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.305 8.646 1.760 1.00 0.00 H new ATOM 1560 N LYS A 100 11.551 8.057 5.494 1.00 0.00 N ATOM 1561 CA LYS A 100 10.777 8.581 6.608 1.00 0.00 C ATOM 1562 C LYS A 100 9.627 9.668 6.197 1.00 0.00 C ATOM 1563 O LYS A 100 8.407 9.429 6.408 1.00 0.00 O ATOM 1564 CB LYS A 100 11.617 9.024 7.831 1.00 0.00 C ATOM 1565 CG LYS A 100 12.483 10.359 7.702 1.00 0.00 C ATOM 1566 CD LYS A 100 13.420 10.582 8.905 1.00 0.00 C ATOM 1567 CE LYS A 100 14.365 11.805 8.649 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.255 11.986 9.838 1.00 0.00 N ATOM 0 H LYS A 100 12.548 7.999 5.701 1.00 0.00 H new ATOM 0 HA LYS A 100 10.225 7.704 6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.939 9.146 8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 100 12.295 8.209 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.076 10.315 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.813 11.213 7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.830 10.754 9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.015 9.686 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.962 11.639 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.777 12.707 8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.887 12.796 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.674 12.161 10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.823 11.127 9.980 1.00 0.00 H new ATOM 1581 N ASP A 101 9.961 10.799 5.517 1.00 0.00 N ATOM 1582 CA ASP A 101 9.192 11.930 4.918 1.00 0.00 C ATOM 1583 C ASP A 101 8.505 11.689 3.499 1.00 0.00 C ATOM 1584 O ASP A 101 7.373 12.225 3.367 1.00 0.00 O ATOM 1585 CB ASP A 101 10.039 13.244 4.996 1.00 0.00 C ATOM 1586 CG ASP A 101 11.253 13.211 4.062 1.00 0.00 C ATOM 1587 OD1 ASP A 101 11.148 13.513 2.860 1.00 0.00 O ATOM 1588 OD2 ASP A 101 12.404 12.897 4.695 1.00 0.00 O ATOM 0 H ASP A 101 10.953 10.965 5.348 1.00 0.00 H new ATOM 0 HA ASP A 101 8.303 12.028 5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.409 14.095 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.376 13.395 6.021 1.00 0.00 H new ATOM 1594 N GLY A 102 9.211 11.010 2.597 1.00 0.00 N ATOM 1595 CA GLY A 102 8.786 10.668 1.209 1.00 0.00 C ATOM 1596 C GLY A 102 7.300 10.100 1.103 1.00 0.00 C ATOM 1597 O GLY A 102 6.410 10.742 0.522 1.00 0.00 O ATOM 0 H GLY A 102 10.145 10.658 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.868 11.559 0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.476 9.929 0.801 1.00 0.00 H new ATOM 1601 N LEU A 103 7.026 8.933 1.823 1.00 0.00 N ATOM 1602 CA LEU A 103 5.607 8.390 1.967 1.00 0.00 C ATOM 1603 C LEU A 103 4.486 9.391 2.543 1.00 0.00 C ATOM 1604 O LEU A 103 3.544 9.553 1.777 1.00 0.00 O ATOM 1605 CB LEU A 103 5.846 7.059 2.716 1.00 0.00 C ATOM 1606 CG LEU A 103 4.562 6.212 2.957 1.00 0.00 C ATOM 1607 CD1 LEU A 103 3.659 5.973 1.705 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.029 4.918 3.650 1.00 0.00 C ATOM 0 H LEU A 103 7.739 8.375 2.292 1.00 0.00 H new ATOM 0 HA LEU A 103 5.110 8.240 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.559 6.461 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.308 7.277 3.679 1.00 0.00 H new ATOM 0 HG LEU A 103 3.875 6.773 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.795 5.372 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.321 6.932 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.230 5.448 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.168 4.279 3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.731 4.392 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.519 5.166 4.592 1.00 0.00 H new ATOM 1620 N PRO A 104 4.649 10.176 3.658 1.00 0.00 N ATOM 1621 CA PRO A 104 3.844 11.382 3.929 1.00 0.00 C ATOM 1622 C PRO A 104 3.637 12.520 2.854 1.00 0.00 C ATOM 1623 O PRO A 104 2.508 12.960 2.715 1.00 0.00 O ATOM 1624 CB PRO A 104 4.444 11.897 5.202 1.00 0.00 C ATOM 1625 CG PRO A 104 5.258 10.788 5.934 1.00 0.00 C ATOM 1626 CD PRO A 104 5.541 9.790 4.760 1.00 0.00 C ATOM 0 HA PRO A 104 2.801 11.066 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.094 12.744 4.983 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.653 12.263 5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.177 11.175 6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.689 10.324 6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.585 9.842 4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.351 8.762 5.070 1.00 0.00 H new ATOM 1634 N THR A 105 4.727 12.835 2.102 1.00 0.00 N ATOM 1635 CA THR A 105 4.870 13.781 0.966 1.00 0.00 C ATOM 1636 C THR A 105 4.015 13.342 -0.274 1.00 0.00 C ATOM 1637 O THR A 105 3.144 14.158 -0.656 1.00 0.00 O ATOM 1638 CB THR A 105 6.385 14.167 0.785 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.873 14.659 2.087 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.662 15.243 -0.304 1.00 0.00 C ATOM 0 H THR A 105 5.620 12.383 2.300 1.00 0.00 H new ATOM 0 HA THR A 105 4.408 14.747 1.168 1.00 0.00 H new ATOM 0 HB THR A 105 6.905 13.272 0.443 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.079 13.897 2.668 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.732 15.442 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.314 14.880 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.134 16.162 -0.050 1.00 0.00 H new ATOM 1648 N LEU A 106 4.314 12.132 -0.846 1.00 0.00 N ATOM 1649 CA LEU A 106 3.543 11.388 -1.871 1.00 0.00 C ATOM 1650 C LEU A 106 1.984 11.130 -1.692 1.00 0.00 C ATOM 1651 O LEU A 106 1.198 11.373 -2.632 1.00 0.00 O ATOM 1652 CB LEU A 106 4.376 10.040 -2.105 1.00 0.00 C ATOM 1653 CG LEU A 106 4.010 9.110 -3.351 1.00 0.00 C ATOM 1654 CD1 LEU A 106 4.036 9.812 -4.748 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.930 7.925 -3.437 1.00 0.00 C ATOM 0 H LEU A 106 5.158 11.626 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 106 3.465 12.048 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.427 10.314 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.282 9.434 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 106 2.980 8.819 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.773 9.091 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.318 10.632 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.035 10.203 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.655 7.312 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.958 8.270 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.846 7.332 -2.526 1.00 0.00 H new ATOM 1667 N VAL A 107 1.621 10.645 -0.486 1.00 0.00 N ATOM 1668 CA VAL A 107 0.226 10.509 0.078 1.00 0.00 C ATOM 1669 C VAL A 107 -0.471 11.838 0.301 1.00 0.00 C ATOM 1670 O VAL A 107 -1.581 11.976 -0.257 1.00 0.00 O ATOM 1671 CB VAL A 107 0.120 9.546 1.279 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.228 9.456 1.901 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.470 8.107 0.820 1.00 0.00 C ATOM 0 H VAL A 107 2.324 10.313 0.174 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.341 10.019 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 107 0.809 9.956 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.198 8.755 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.527 10.439 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.948 9.108 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.395 7.426 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.226 7.794 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.487 8.087 0.428 1.00 0.00 H new ATOM 1683 N ALA A 108 0.096 12.859 0.963 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.477 14.253 0.926 1.00 0.00 C ATOM 1685 C ALA A 108 -1.002 14.729 -0.446 1.00 0.00 C ATOM 1686 O ALA A 108 -2.212 15.006 -0.661 1.00 0.00 O ATOM 1687 CB ALA A 108 0.621 15.179 1.500 1.00 0.00 C ATOM 0 H ALA A 108 0.940 12.768 1.529 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.388 14.275 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.265 16.209 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.855 14.876 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.518 15.105 0.885 1.00 0.00 H new ATOM 1693 N LYS A 109 -0.058 14.820 -1.372 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.367 15.053 -2.857 1.00 0.00 C ATOM 1695 C LYS A 109 -1.549 14.279 -3.505 1.00 0.00 C ATOM 1696 O LYS A 109 -2.441 14.875 -4.140 1.00 0.00 O ATOM 1697 CB LYS A 109 0.893 14.866 -3.738 1.00 0.00 C ATOM 1698 CG LYS A 109 2.051 15.840 -3.378 1.00 0.00 C ATOM 1699 CD LYS A 109 3.378 15.767 -4.166 1.00 0.00 C ATOM 1700 CE LYS A 109 4.517 16.590 -3.646 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.863 16.086 -3.931 1.00 0.00 N ATOM 0 H LYS A 109 0.938 14.742 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.709 16.088 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.247 13.840 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.620 15.009 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.667 16.855 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.288 15.691 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.698 14.725 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.180 16.071 -5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.432 17.594 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.408 16.682 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.569 16.733 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.976 15.142 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.000 16.025 -4.960 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.614 12.895 -3.310 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.748 12.004 -3.679 1.00 0.00 C ATOM 1716 C HIS A 110 -4.046 12.369 -2.857 1.00 0.00 C ATOM 1717 O HIS A 110 -4.993 12.879 -3.503 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.271 10.576 -3.588 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.119 10.150 -4.611 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -0.704 10.812 -5.768 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.182 9.108 -4.333 1.00 0.00 C ATOM 1722 CE1 HIS A 110 0.487 10.240 -5.950 1.00 0.00 C ATOM 1723 NE2 HIS A 110 0.867 9.116 -5.224 1.00 0.00 N ATOM 0 H HIS A 110 -0.846 12.381 -2.879 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.067 12.150 -4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.912 10.399 -2.574 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -3.127 9.919 -3.742 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -0.284 8.401 -3.523 1.00 0.00 H new ATOM 0 HE1 HIS A 110 1.170 10.658 -6.675 1.00 0.00 H new ATOM 0 HE2 HIS A 110 1.670 8.494 -5.321 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.092 12.148 -1.551 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.198 12.490 -0.619 1.00 0.00 C ATOM 1733 C ALA A 111 -6.031 13.782 -0.666 1.00 0.00 C ATOM 1734 O ALA A 111 -7.154 13.801 -0.248 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.689 12.260 0.815 1.00 0.00 C ATOM 0 H ALA A 111 -3.316 11.697 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.967 11.826 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.480 12.503 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.401 11.216 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.825 12.898 1.001 1.00 0.00 H new ATOM 1741 N THR A 112 -5.432 14.899 -1.146 1.00 0.00 N ATOM 1742 CA THR A 112 -6.081 16.255 -1.447 1.00 0.00 C ATOM 1743 C THR A 112 -6.981 16.163 -2.717 1.00 0.00 C ATOM 1744 O THR A 112 -8.181 15.968 -2.594 1.00 0.00 O ATOM 1745 CB THR A 112 -5.083 17.428 -1.260 1.00 0.00 C ATOM 1746 OG1 THR A 112 -4.379 17.298 -0.050 1.00 0.00 O ATOM 1747 CG2 THR A 112 -5.624 18.882 -1.270 1.00 0.00 C ATOM 0 H THR A 112 -4.433 14.908 -1.353 1.00 0.00 H new ATOM 0 HA THR A 112 -6.819 16.538 -0.696 1.00 0.00 H new ATOM 0 HB THR A 112 -4.480 17.319 -2.161 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.710 16.587 -0.135 1.00 0.00 H new ATOM 0 HG21 THR A 112 -4.798 19.579 -1.127 1.00 0.00 H new ATOM 0 HG22 THR A 112 -6.108 19.084 -2.226 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.347 19.007 -0.464 1.00 0.00 H new ATOM 1755 N ALA A 113 -6.497 16.293 -3.986 1.00 0.00 N ATOM 1756 CA ALA A 113 -7.323 16.020 -5.204 1.00 0.00 C ATOM 1757 C ALA A 113 -8.056 14.706 -5.192 1.00 0.00 C ATOM 1758 O ALA A 113 -9.266 14.643 -4.810 1.00 0.00 O ATOM 1759 CB ALA A 113 -6.561 16.279 -6.472 1.00 0.00 C ATOM 1760 OXT ALA A 113 -7.316 13.652 -5.540 1.00 0.00 O ATOM 0 H ALA A 113 -5.542 16.584 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 113 -8.130 16.752 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -7.199 16.068 -7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -6.247 17.323 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -5.682 15.635 -6.506 1.00 0.00 H new TER 1767 ALA A 113