USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 HIS : no HD1:sc= -0.198 X(o=3.6,f=3.3) USER MOD Set 1.2: A 17 CYS SG : rot -156:sc= 1.43 USER MOD Set 1.3: A 65 SER OG : rot 112:sc= 1 USER MOD Set 1.4: A 69 TYR OH : rot 9:sc= 1.36 USER MOD Set 2.1: A 37 SER OG : rot 28:sc= 0.454 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 3 SER OG : rot -140:sc=0.000893 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0.0318 USER MOD Single : A 4 THR OG1 : rot -4:sc= 0.437 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -151:sc= -1.08 (180deg=-1.69) USER MOD Single : A 14 CYS SG : rot -102:sc= 0.447 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00685 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 80:sc= 0.647 USER MOD Single : A 26 SER OG : rot -34:sc= 1 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -39:sc= 0.0396 USER MOD Single : A 33 SER OG : rot 63:sc= 1.21 USER MOD Single : A 40 ASN : amide:sc= 0.08 X(o=0.08,f=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0614 F(o=-0.74,f=-0.061) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 2.17 (180deg=2.06) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -10.810 -12.002 -5.637 1.00 0.00 N ATOM 16 CA ASP A 2 -10.147 -10.830 -5.091 1.00 0.00 C ATOM 17 C ASP A 2 -9.782 -9.777 -6.157 1.00 0.00 C ATOM 18 O ASP A 2 -9.592 -10.053 -7.342 1.00 0.00 O ATOM 19 CB ASP A 2 -8.936 -11.254 -4.228 1.00 0.00 C ATOM 20 CG ASP A 2 -7.981 -12.337 -4.784 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.289 -12.984 -5.815 1.00 0.00 O ATOM 22 OD2 ASP A 2 -6.967 -12.560 -4.086 1.00 0.00 O ATOM 0 HA ASP A 2 -10.864 -10.324 -4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.344 -10.362 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.318 -11.608 -3.270 1.00 0.00 H new ATOM 27 N SER A 3 -9.706 -8.531 -5.696 1.00 0.00 N ATOM 28 CA SER A 3 -9.306 -7.345 -6.447 1.00 0.00 C ATOM 29 C SER A 3 -7.857 -6.932 -6.114 1.00 0.00 C ATOM 30 O SER A 3 -7.177 -7.554 -5.296 1.00 0.00 O ATOM 31 CB SER A 3 -10.287 -6.218 -6.076 1.00 0.00 C ATOM 32 OG SER A 3 -10.109 -5.051 -6.863 1.00 0.00 O ATOM 0 H SER A 3 -9.937 -8.309 -4.727 1.00 0.00 H new ATOM 0 HA SER A 3 -9.337 -7.551 -7.517 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.309 -6.578 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.160 -5.964 -5.024 1.00 0.00 H new ATOM 0 HG SER A 3 -10.201 -4.257 -6.296 1.00 0.00 H new ATOM 38 N THR A 4 -7.385 -5.826 -6.700 1.00 0.00 N ATOM 39 CA THR A 4 -6.097 -5.209 -6.368 1.00 0.00 C ATOM 40 C THR A 4 -6.125 -3.706 -6.592 1.00 0.00 C ATOM 41 O THR A 4 -7.007 -3.166 -7.258 1.00 0.00 O ATOM 42 CB THR A 4 -4.943 -5.888 -7.128 1.00 0.00 C ATOM 43 OG1 THR A 4 -3.786 -5.808 -6.340 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.547 -5.227 -8.448 1.00 0.00 C ATOM 0 H THR A 4 -7.895 -5.327 -7.429 1.00 0.00 H new ATOM 0 HA THR A 4 -5.916 -5.365 -5.304 1.00 0.00 H new ATOM 0 HB THR A 4 -5.305 -6.895 -7.336 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.973 -5.279 -5.536 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.726 -5.783 -8.902 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.402 -5.225 -9.125 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.230 -4.201 -8.260 1.00 0.00 H new ATOM 52 N ALA A 5 -5.106 -3.037 -6.067 1.00 0.00 N ATOM 53 CA ALA A 5 -4.802 -1.644 -6.342 1.00 0.00 C ATOM 54 C ALA A 5 -3.309 -1.355 -6.156 1.00 0.00 C ATOM 55 O ALA A 5 -2.626 -2.009 -5.356 1.00 0.00 O ATOM 56 CB ALA A 5 -5.676 -0.764 -5.454 1.00 0.00 C ATOM 0 H ALA A 5 -4.448 -3.467 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.026 -1.418 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.456 0.285 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.727 -0.961 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.471 -0.986 -4.407 1.00 0.00 H new ATOM 62 N THR A 6 -2.835 -0.350 -6.900 1.00 0.00 N ATOM 63 CA THR A 6 -1.447 0.114 -6.924 1.00 0.00 C ATOM 64 C THR A 6 -1.370 1.524 -6.376 1.00 0.00 C ATOM 65 O THR A 6 -2.193 2.382 -6.701 1.00 0.00 O ATOM 66 CB THR A 6 -0.889 0.115 -8.344 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.035 -1.171 -8.894 1.00 0.00 O ATOM 68 CG2 THR A 6 0.596 0.468 -8.368 1.00 0.00 C ATOM 0 H THR A 6 -3.435 0.184 -7.528 1.00 0.00 H new ATOM 0 HA THR A 6 -0.857 -0.568 -6.311 1.00 0.00 H new ATOM 0 HB THR A 6 -1.439 0.862 -8.916 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.680 -1.178 -9.807 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.956 0.458 -9.397 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.741 1.461 -7.943 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.153 -0.263 -7.782 1.00 0.00 H new ATOM 76 N PHE A 7 -0.328 1.745 -5.583 1.00 0.00 N ATOM 77 CA PHE A 7 -0.056 2.981 -4.873 1.00 0.00 C ATOM 78 C PHE A 7 1.440 3.294 -4.908 1.00 0.00 C ATOM 79 O PHE A 7 2.281 2.400 -4.790 1.00 0.00 O ATOM 80 CB PHE A 7 -0.534 2.876 -3.419 1.00 0.00 C ATOM 81 CG PHE A 7 -1.947 2.337 -3.250 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.216 0.950 -3.211 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.027 3.242 -3.227 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.530 0.485 -3.208 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.346 2.765 -3.250 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.598 1.390 -3.241 1.00 0.00 C ATOM 0 H PHE A 7 0.381 1.032 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.598 3.789 -5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.154 2.232 -2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.480 3.864 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.398 0.246 -3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.839 4.305 -3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.725 -0.577 -3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.170 3.463 -3.275 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.615 1.026 -3.259 1.00 0.00 H new ATOM 96 N ILE A 8 1.798 4.570 -5.021 1.00 0.00 N ATOM 97 CA ILE A 8 3.179 5.041 -5.005 1.00 0.00 C ATOM 98 C ILE A 8 3.340 6.197 -4.032 1.00 0.00 C ATOM 99 O ILE A 8 2.521 7.115 -4.006 1.00 0.00 O ATOM 100 CB ILE A 8 3.620 5.375 -6.444 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.130 5.656 -6.449 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.837 6.523 -7.096 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.790 5.401 -7.806 1.00 0.00 C ATOM 0 H ILE A 8 1.119 5.323 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 8 3.843 4.257 -4.641 1.00 0.00 H new ATOM 0 HB ILE A 8 3.392 4.505 -7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.300 6.693 -6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.611 5.032 -5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.211 6.691 -8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.779 6.263 -7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.963 7.431 -6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.856 5.619 -7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.650 4.358 -8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.335 6.045 -8.559 1.00 0.00 H new ATOM 115 N ILE A 9 4.380 6.098 -3.205 1.00 0.00 N ATOM 116 CA ILE A 9 4.625 6.950 -2.053 1.00 0.00 C ATOM 117 C ILE A 9 5.794 7.902 -2.341 1.00 0.00 C ATOM 118 O ILE A 9 6.957 7.507 -2.266 1.00 0.00 O ATOM 119 CB ILE A 9 4.922 6.110 -0.784 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.021 4.893 -0.430 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.865 7.104 0.392 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.078 3.657 -1.325 1.00 0.00 C ATOM 0 H ILE A 9 5.103 5.390 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 9 3.723 7.533 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 9 5.880 5.631 -0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.271 4.580 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.988 5.240 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.066 6.576 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.614 7.883 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.875 7.557 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.393 2.900 -0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.790 3.929 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.092 3.258 -1.331 1.00 0.00 H new ATOM 134 N ASP A 10 5.518 9.173 -2.611 1.00 0.00 N ATOM 135 CA ASP A 10 6.538 10.199 -2.860 1.00 0.00 C ATOM 136 C ASP A 10 7.201 10.716 -1.563 1.00 0.00 C ATOM 137 O ASP A 10 7.251 11.915 -1.297 1.00 0.00 O ATOM 138 CB ASP A 10 5.959 11.289 -3.771 1.00 0.00 C ATOM 139 CG ASP A 10 7.023 12.187 -4.407 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.091 11.645 -4.787 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.736 13.402 -4.530 1.00 0.00 O ATOM 0 H ASP A 10 4.564 9.531 -2.665 1.00 0.00 H new ATOM 0 HA ASP A 10 7.373 9.750 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.374 10.817 -4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.273 11.907 -3.192 1.00 0.00 H new ATOM 146 N GLY A 11 7.661 9.766 -0.740 1.00 0.00 N ATOM 147 CA GLY A 11 8.311 9.989 0.560 1.00 0.00 C ATOM 148 C GLY A 11 8.818 8.751 1.320 1.00 0.00 C ATOM 149 O GLY A 11 9.493 8.917 2.334 1.00 0.00 O ATOM 0 H GLY A 11 7.588 8.775 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.157 10.658 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.605 10.514 1.204 1.00 0.00 H new ATOM 153 N MET A 12 8.525 7.509 0.892 1.00 0.00 N ATOM 154 CA MET A 12 8.977 6.324 1.653 1.00 0.00 C ATOM 155 C MET A 12 10.488 6.099 1.509 1.00 0.00 C ATOM 156 O MET A 12 11.045 6.245 0.429 1.00 0.00 O ATOM 157 CB MET A 12 8.155 5.059 1.326 1.00 0.00 C ATOM 158 CG MET A 12 8.648 4.203 0.164 1.00 0.00 C ATOM 159 SD MET A 12 7.499 2.864 -0.217 1.00 0.00 S ATOM 160 CE MET A 12 8.636 1.480 -0.432 1.00 0.00 C ATOM 0 H MET A 12 7.992 7.300 0.048 1.00 0.00 H new ATOM 0 HA MET A 12 8.789 6.536 2.706 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.122 4.434 2.219 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.131 5.365 1.113 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.781 4.829 -0.718 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.625 3.785 0.409 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.208 0.763 -1.133 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.586 1.846 -0.822 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.802 0.993 0.529 1.00 0.00 H new ATOM 170 N HIS A 13 11.146 5.636 2.570 1.00 0.00 N ATOM 171 CA HIS A 13 12.602 5.428 2.670 1.00 0.00 C ATOM 172 C HIS A 13 13.199 4.350 1.723 1.00 0.00 C ATOM 173 O HIS A 13 14.369 3.994 1.869 1.00 0.00 O ATOM 174 CB HIS A 13 12.912 5.045 4.127 1.00 0.00 C ATOM 175 CG HIS A 13 12.619 6.068 5.206 1.00 0.00 C ATOM 176 ND1 HIS A 13 13.069 5.982 6.505 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.877 7.222 5.125 1.00 0.00 C ATOM 178 CE1 HIS A 13 12.615 7.047 7.185 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.882 7.827 6.383 1.00 0.00 N ATOM 0 H HIS A 13 10.660 5.381 3.430 1.00 0.00 H new ATOM 0 HA HIS A 13 13.070 6.361 2.356 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.350 4.141 4.362 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.970 4.788 4.188 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.378 7.595 4.243 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.813 7.245 8.228 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.416 8.697 6.641 1.00 0.00 H new ATOM 187 N CYS A 14 12.392 3.775 0.820 1.00 0.00 N ATOM 188 CA CYS A 14 12.741 2.860 -0.286 1.00 0.00 C ATOM 189 C CYS A 14 13.249 1.475 0.137 1.00 0.00 C ATOM 190 O CYS A 14 12.934 0.500 -0.524 1.00 0.00 O ATOM 191 CB CYS A 14 13.708 3.556 -1.265 1.00 0.00 C ATOM 192 SG CYS A 14 12.816 3.969 -2.797 1.00 0.00 S ATOM 0 H CYS A 14 11.388 3.952 0.844 1.00 0.00 H new ATOM 0 HA CYS A 14 11.801 2.641 -0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.115 4.460 -0.812 1.00 0.00 H new ATOM 0 HB3 CYS A 14 14.552 2.903 -1.487 1.00 0.00 H new ATOM 0 HG CYS A 14 13.109 3.099 -3.718 1.00 0.00 H new ATOM 198 N LYS A 15 14.008 1.340 1.226 1.00 0.00 N ATOM 199 CA LYS A 15 14.403 0.040 1.789 1.00 0.00 C ATOM 200 C LYS A 15 13.563 -0.288 3.034 1.00 0.00 C ATOM 201 O LYS A 15 12.491 -0.862 2.901 1.00 0.00 O ATOM 202 CB LYS A 15 15.938 -0.015 1.965 1.00 0.00 C ATOM 203 CG LYS A 15 16.655 -0.696 0.779 1.00 0.00 C ATOM 204 CD LYS A 15 16.548 0.055 -0.561 1.00 0.00 C ATOM 205 CE LYS A 15 17.021 -0.784 -1.757 1.00 0.00 C ATOM 206 NZ LYS A 15 18.492 -0.929 -1.852 1.00 0.00 N ATOM 0 H LYS A 15 14.371 2.136 1.750 1.00 0.00 H new ATOM 0 HA LYS A 15 14.176 -0.772 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.322 0.999 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.174 -0.553 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.709 -0.814 1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.244 -1.697 0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.513 0.355 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.140 0.968 -0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.573 -1.775 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.652 -0.328 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.731 -1.507 -2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.928 0.010 -1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.851 -1.392 -0.993 1.00 0.00 H new ATOM 220 N SER A 16 13.930 0.126 4.242 1.00 0.00 N ATOM 221 CA SER A 16 13.199 -0.265 5.468 1.00 0.00 C ATOM 222 C SER A 16 11.748 0.229 5.551 1.00 0.00 C ATOM 223 O SER A 16 11.005 -0.313 6.361 1.00 0.00 O ATOM 224 CB SER A 16 13.985 0.143 6.721 1.00 0.00 C ATOM 225 OG SER A 16 14.499 1.463 6.613 1.00 0.00 O ATOM 0 H SER A 16 14.731 0.735 4.411 1.00 0.00 H new ATOM 0 HA SER A 16 13.121 -1.351 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.337 0.075 7.595 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.807 -0.556 6.878 1.00 0.00 H new ATOM 0 HG SER A 16 14.992 1.690 7.429 1.00 0.00 H new ATOM 231 N CYS A 17 11.282 1.168 4.708 1.00 0.00 N ATOM 232 CA CYS A 17 9.862 1.458 4.597 1.00 0.00 C ATOM 233 C CYS A 17 9.099 0.246 4.038 1.00 0.00 C ATOM 234 O CYS A 17 8.058 -0.081 4.592 1.00 0.00 O ATOM 235 CB CYS A 17 9.725 2.750 3.782 1.00 0.00 C ATOM 236 SG CYS A 17 9.706 4.147 4.952 1.00 0.00 S ATOM 0 H CYS A 17 11.876 1.732 4.100 1.00 0.00 H new ATOM 0 HA CYS A 17 9.398 1.631 5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.554 2.850 3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.809 2.734 3.191 1.00 0.00 H new ATOM 0 HG CYS A 17 9.106 5.162 4.406 1.00 0.00 H new ATOM 242 N VAL A 18 9.662 -0.465 3.056 1.00 0.00 N ATOM 243 CA VAL A 18 9.068 -1.602 2.328 1.00 0.00 C ATOM 244 C VAL A 18 8.504 -2.647 3.291 1.00 0.00 C ATOM 245 O VAL A 18 7.347 -3.034 3.173 1.00 0.00 O ATOM 246 CB VAL A 18 10.126 -2.241 1.383 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.602 -3.432 0.587 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.583 -1.178 0.381 1.00 0.00 C ATOM 0 H VAL A 18 10.603 -0.253 2.724 1.00 0.00 H new ATOM 0 HA VAL A 18 8.239 -1.226 1.729 1.00 0.00 H new ATOM 0 HB VAL A 18 10.935 -2.603 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.397 -3.823 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.270 -4.211 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.764 -3.114 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.326 -1.607 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.727 -0.832 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.022 -0.337 0.918 1.00 0.00 H new ATOM 258 N SER A 19 9.290 -3.010 4.301 1.00 0.00 N ATOM 259 CA SER A 19 8.930 -4.057 5.264 1.00 0.00 C ATOM 260 C SER A 19 7.776 -3.636 6.197 1.00 0.00 C ATOM 261 O SER A 19 6.855 -4.419 6.442 1.00 0.00 O ATOM 262 CB SER A 19 10.216 -4.418 6.016 1.00 0.00 C ATOM 263 OG SER A 19 10.026 -5.451 6.963 1.00 0.00 O ATOM 0 H SER A 19 10.201 -2.586 4.479 1.00 0.00 H new ATOM 0 HA SER A 19 8.537 -4.935 4.751 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.977 -4.725 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.596 -3.531 6.524 1.00 0.00 H new ATOM 0 HG SER A 19 10.875 -5.643 7.412 1.00 0.00 H new ATOM 269 N ASN A 20 7.727 -2.367 6.625 1.00 0.00 N ATOM 270 CA ASN A 20 6.549 -1.838 7.331 1.00 0.00 C ATOM 271 C ASN A 20 5.297 -1.876 6.457 1.00 0.00 C ATOM 272 O ASN A 20 4.200 -2.123 6.957 1.00 0.00 O ATOM 273 CB ASN A 20 6.741 -0.372 7.687 1.00 0.00 C ATOM 274 CG ASN A 20 7.924 -0.117 8.592 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.099 -0.722 9.635 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.788 0.783 8.177 1.00 0.00 N ATOM 0 H ASN A 20 8.481 -1.692 6.497 1.00 0.00 H new ATOM 0 HA ASN A 20 6.433 -2.465 8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.866 0.202 6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.837 -0.004 8.172 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.621 0.984 8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.626 1.280 7.301 1.00 0.00 H new ATOM 283 N ILE A 21 5.454 -1.568 5.163 1.00 0.00 N ATOM 284 CA ILE A 21 4.355 -1.545 4.200 1.00 0.00 C ATOM 285 C ILE A 21 3.789 -2.957 4.055 1.00 0.00 C ATOM 286 O ILE A 21 2.594 -3.125 4.258 1.00 0.00 O ATOM 287 CB ILE A 21 4.783 -0.916 2.854 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.613 0.393 3.033 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.522 -0.763 1.980 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.150 1.622 2.250 1.00 0.00 C ATOM 0 H ILE A 21 6.357 -1.326 4.755 1.00 0.00 H new ATOM 0 HA ILE A 21 3.558 -0.900 4.571 1.00 0.00 H new ATOM 0 HB ILE A 21 5.480 -1.574 2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.618 0.649 4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.644 0.181 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.795 -0.321 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.074 -1.743 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.804 -0.118 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.812 2.461 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.175 1.404 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.132 1.879 2.544 1.00 0.00 H new ATOM 302 N GLU A 22 4.627 -3.970 3.836 1.00 0.00 N ATOM 303 CA GLU A 22 4.223 -5.377 3.876 1.00 0.00 C ATOM 304 C GLU A 22 3.472 -5.705 5.169 1.00 0.00 C ATOM 305 O GLU A 22 2.359 -6.215 5.117 1.00 0.00 O ATOM 306 CB GLU A 22 5.470 -6.259 3.729 1.00 0.00 C ATOM 307 CG GLU A 22 5.922 -6.299 2.266 1.00 0.00 C ATOM 308 CD GLU A 22 7.377 -6.745 2.085 1.00 0.00 C ATOM 309 OE1 GLU A 22 8.228 -6.345 2.916 1.00 0.00 O ATOM 310 OE2 GLU A 22 7.619 -7.482 1.106 1.00 0.00 O ATOM 0 H GLU A 22 5.616 -3.837 3.624 1.00 0.00 H new ATOM 0 HA GLU A 22 3.539 -5.573 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.274 -5.872 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.253 -7.269 4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.272 -6.976 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.797 -5.308 1.829 1.00 0.00 H new ATOM 317 N SER A 23 4.014 -5.370 6.339 1.00 0.00 N ATOM 318 CA SER A 23 3.353 -5.728 7.597 1.00 0.00 C ATOM 319 C SER A 23 2.058 -4.971 7.906 1.00 0.00 C ATOM 320 O SER A 23 1.207 -5.523 8.603 1.00 0.00 O ATOM 321 CB SER A 23 4.322 -5.502 8.756 1.00 0.00 C ATOM 322 OG SER A 23 3.758 -5.956 9.979 1.00 0.00 O ATOM 0 H SER A 23 4.892 -4.861 6.444 1.00 0.00 H new ATOM 0 HA SER A 23 3.070 -6.774 7.477 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.256 -6.029 8.563 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.564 -4.442 8.833 1.00 0.00 H new ATOM 0 HG SER A 23 4.394 -5.804 10.709 1.00 0.00 H new ATOM 328 N THR A 24 1.924 -3.714 7.467 1.00 0.00 N ATOM 329 CA THR A 24 0.730 -2.891 7.694 1.00 0.00 C ATOM 330 C THR A 24 -0.357 -3.312 6.721 1.00 0.00 C ATOM 331 O THR A 24 -1.491 -3.595 7.102 1.00 0.00 O ATOM 332 CB THR A 24 1.067 -1.387 7.616 1.00 0.00 C ATOM 333 OG1 THR A 24 2.044 -1.138 8.592 1.00 0.00 O ATOM 334 CG2 THR A 24 -0.129 -0.502 7.965 1.00 0.00 C ATOM 0 H THR A 24 2.651 -3.233 6.937 1.00 0.00 H new ATOM 0 HA THR A 24 0.353 -3.054 8.704 1.00 0.00 H new ATOM 0 HB THR A 24 1.385 -1.159 6.599 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.922 -1.409 8.252 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.161 0.546 7.895 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.944 -0.700 7.269 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.459 -0.720 8.981 1.00 0.00 H new ATOM 342 N LEU A 25 0.004 -3.362 5.445 1.00 0.00 N ATOM 343 CA LEU A 25 -0.894 -3.704 4.355 1.00 0.00 C ATOM 344 C LEU A 25 -1.208 -5.184 4.204 1.00 0.00 C ATOM 345 O LEU A 25 -2.205 -5.487 3.567 1.00 0.00 O ATOM 346 CB LEU A 25 -0.311 -3.183 3.065 1.00 0.00 C ATOM 347 CG LEU A 25 0.028 -1.683 3.057 1.00 0.00 C ATOM 348 CD1 LEU A 25 0.068 -1.277 1.594 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.970 -0.778 3.785 1.00 0.00 C ATOM 0 H LEU A 25 0.954 -3.160 5.134 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.847 -3.235 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.596 -3.745 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.017 -3.384 2.259 1.00 0.00 H new ATOM 0 HG LEU A 25 0.968 -1.553 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.305 -0.216 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.831 -1.858 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.904 -1.465 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.637 0.258 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.952 -0.873 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.032 -1.073 4.832 1.00 0.00 H new ATOM 361 N SER A 26 -0.423 -6.115 4.740 1.00 0.00 N ATOM 362 CA SER A 26 -0.838 -7.528 4.730 1.00 0.00 C ATOM 363 C SER A 26 -1.700 -7.905 5.956 1.00 0.00 C ATOM 364 O SER A 26 -1.894 -9.091 6.229 1.00 0.00 O ATOM 365 CB SER A 26 0.379 -8.439 4.535 1.00 0.00 C ATOM 366 OG SER A 26 -0.006 -9.800 4.469 1.00 0.00 O ATOM 0 H SER A 26 0.480 -5.932 5.177 1.00 0.00 H new ATOM 0 HA SER A 26 -1.496 -7.682 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.902 -8.161 3.620 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.079 -8.296 5.358 1.00 0.00 H new ATOM 0 HG SER A 26 -0.772 -9.952 5.061 1.00 0.00 H new ATOM 372 N ALA A 27 -2.227 -6.920 6.702 1.00 0.00 N ATOM 373 CA ALA A 27 -2.954 -7.142 7.959 1.00 0.00 C ATOM 374 C ALA A 27 -4.386 -6.573 7.951 1.00 0.00 C ATOM 375 O ALA A 27 -5.068 -6.588 8.977 1.00 0.00 O ATOM 376 CB ALA A 27 -2.108 -6.540 9.090 1.00 0.00 C ATOM 0 H ALA A 27 -2.158 -5.936 6.444 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.091 -8.213 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.617 -6.686 10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.136 -7.032 9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.969 -5.474 8.912 1.00 0.00 H new ATOM 382 N LEU A 28 -4.852 -6.028 6.820 1.00 0.00 N ATOM 383 CA LEU A 28 -6.116 -5.301 6.772 1.00 0.00 C ATOM 384 C LEU A 28 -7.332 -6.238 6.767 1.00 0.00 C ATOM 385 O LEU A 28 -7.289 -7.351 6.244 1.00 0.00 O ATOM 386 CB LEU A 28 -6.157 -4.317 5.586 1.00 0.00 C ATOM 387 CG LEU A 28 -5.004 -3.292 5.555 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.823 -2.687 4.157 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.343 -2.196 6.568 1.00 0.00 C ATOM 0 H LEU A 28 -4.366 -6.080 5.925 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.175 -4.717 7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.142 -4.888 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.104 -3.777 5.613 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.065 -3.784 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.002 -1.970 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.597 -3.480 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.741 -2.181 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.549 -1.449 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.284 -1.722 6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.438 -2.635 7.561 1.00 0.00 H new ATOM 401 N GLN A 29 -8.459 -5.708 7.251 1.00 0.00 N ATOM 402 CA GLN A 29 -9.759 -6.365 7.479 1.00 0.00 C ATOM 403 C GLN A 29 -10.463 -6.866 6.198 1.00 0.00 C ATOM 404 O GLN A 29 -11.649 -7.170 6.221 1.00 0.00 O ATOM 405 CB GLN A 29 -10.663 -5.359 8.222 1.00 0.00 C ATOM 406 CG GLN A 29 -10.100 -4.862 9.566 1.00 0.00 C ATOM 407 CD GLN A 29 -10.886 -3.656 10.069 1.00 0.00 C ATOM 408 OE1 GLN A 29 -10.742 -2.552 9.576 1.00 0.00 O ATOM 409 NE2 GLN A 29 -11.753 -3.811 11.046 1.00 0.00 N ATOM 0 H GLN A 29 -8.493 -4.724 7.518 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.573 -7.266 8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.835 -4.499 7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.633 -5.824 8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.144 -5.664 10.303 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.050 -4.594 9.449 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.885 -4.729 11.470 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.293 -3.013 11.380 1.00 0.00 H new ATOM 418 N TYR A 30 -9.740 -6.923 5.081 1.00 0.00 N ATOM 419 CA TYR A 30 -10.226 -7.158 3.722 1.00 0.00 C ATOM 420 C TYR A 30 -9.112 -7.471 2.707 1.00 0.00 C ATOM 421 O TYR A 30 -9.415 -7.584 1.527 1.00 0.00 O ATOM 422 CB TYR A 30 -11.049 -5.939 3.256 1.00 0.00 C ATOM 423 CG TYR A 30 -10.555 -4.574 3.730 1.00 0.00 C ATOM 424 CD1 TYR A 30 -9.238 -4.130 3.474 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.421 -3.756 4.487 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.823 -2.864 3.919 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.996 -2.504 4.970 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.692 -2.051 4.676 1.00 0.00 C ATOM 429 OH TYR A 30 -9.262 -0.849 5.146 1.00 0.00 O ATOM 0 H TYR A 30 -8.728 -6.797 5.103 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.850 -8.051 3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.071 -5.936 2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -12.077 -6.069 3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.550 -4.765 2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.424 -4.096 4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.831 -2.510 3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.663 -1.894 5.561 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.985 -0.416 5.646 1.00 0.00 H new ATOM 439 N VAL A 31 -7.836 -7.587 3.098 1.00 0.00 N ATOM 440 CA VAL A 31 -6.727 -7.775 2.138 1.00 0.00 C ATOM 441 C VAL A 31 -6.243 -9.221 2.156 1.00 0.00 C ATOM 442 O VAL A 31 -6.070 -9.804 3.221 1.00 0.00 O ATOM 443 CB VAL A 31 -5.593 -6.739 2.278 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.917 -6.882 3.610 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.532 -6.781 1.163 1.00 0.00 C ATOM 0 H VAL A 31 -7.540 -7.555 4.074 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.127 -7.577 1.144 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.086 -5.771 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.119 -6.144 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.644 -6.722 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.496 -7.883 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.778 -6.016 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.058 -7.762 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.008 -6.594 0.200 1.00 0.00 H new ATOM 455 N SER A 32 -6.071 -9.807 0.972 1.00 0.00 N ATOM 456 CA SER A 32 -5.721 -11.222 0.812 1.00 0.00 C ATOM 457 C SER A 32 -4.259 -11.449 0.393 1.00 0.00 C ATOM 458 O SER A 32 -3.794 -12.586 0.444 1.00 0.00 O ATOM 459 CB SER A 32 -6.664 -11.856 -0.217 1.00 0.00 C ATOM 460 OG SER A 32 -6.735 -13.250 0.007 1.00 0.00 O ATOM 0 H SER A 32 -6.171 -9.310 0.087 1.00 0.00 H new ATOM 0 HA SER A 32 -5.834 -11.694 1.788 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.657 -11.413 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.305 -11.657 -1.227 1.00 0.00 H new ATOM 0 HG SER A 32 -5.847 -13.589 0.246 1.00 0.00 H new ATOM 466 N SER A 33 -3.533 -10.404 -0.026 1.00 0.00 N ATOM 467 CA SER A 33 -2.153 -10.453 -0.528 1.00 0.00 C ATOM 468 C SER A 33 -1.594 -9.061 -0.871 1.00 0.00 C ATOM 469 O SER A 33 -2.287 -8.044 -0.862 1.00 0.00 O ATOM 470 CB SER A 33 -2.044 -11.385 -1.745 1.00 0.00 C ATOM 471 OG SER A 33 -1.823 -12.713 -1.324 1.00 0.00 O ATOM 0 H SER A 33 -3.910 -9.456 -0.024 1.00 0.00 H new ATOM 0 HA SER A 33 -1.544 -10.852 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.958 -11.331 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.227 -11.059 -2.389 1.00 0.00 H new ATOM 0 HG SER A 33 -2.594 -13.024 -0.805 1.00 0.00 H new ATOM 477 N ILE A 34 -0.314 -9.017 -1.217 1.00 0.00 N ATOM 478 CA ILE A 34 0.491 -7.821 -1.494 1.00 0.00 C ATOM 479 C ILE A 34 1.821 -8.201 -2.158 1.00 0.00 C ATOM 480 O ILE A 34 2.306 -9.312 -1.971 1.00 0.00 O ATOM 481 CB ILE A 34 0.713 -6.991 -0.196 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.579 -5.738 -0.468 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.338 -7.826 0.941 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.501 -4.686 0.627 1.00 0.00 C ATOM 0 H ILE A 34 0.232 -9.872 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.057 -7.192 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.276 -6.673 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.618 -6.046 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.267 -5.290 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.471 -7.199 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.679 -8.659 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.306 -8.211 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.135 -3.839 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.470 -4.348 0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.842 -5.115 1.569 1.00 0.00 H new ATOM 496 N VAL A 35 2.374 -7.263 -2.925 1.00 0.00 N ATOM 497 CA VAL A 35 3.742 -7.220 -3.453 1.00 0.00 C ATOM 498 C VAL A 35 4.202 -5.773 -3.350 1.00 0.00 C ATOM 499 O VAL A 35 3.421 -4.856 -3.594 1.00 0.00 O ATOM 500 CB VAL A 35 3.822 -7.675 -4.926 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.139 -7.297 -5.636 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.697 -9.201 -4.989 1.00 0.00 C ATOM 0 H VAL A 35 1.836 -6.447 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 35 4.371 -7.902 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 35 3.009 -7.160 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.113 -7.654 -6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.258 -6.213 -5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.978 -7.757 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.753 -9.528 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.508 -9.656 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.741 -9.506 -4.564 1.00 0.00 H new ATOM 512 N VAL A 36 5.474 -5.560 -3.040 1.00 0.00 N ATOM 513 CA VAL A 36 6.053 -4.209 -2.951 1.00 0.00 C ATOM 514 C VAL A 36 7.483 -4.201 -3.510 1.00 0.00 C ATOM 515 O VAL A 36 8.189 -5.209 -3.474 1.00 0.00 O ATOM 516 CB VAL A 36 5.947 -3.687 -1.497 1.00 0.00 C ATOM 517 CG1 VAL A 36 6.709 -4.604 -0.546 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.374 -2.217 -1.332 1.00 0.00 C ATOM 0 H VAL A 36 6.138 -6.309 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 36 5.486 -3.515 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 36 4.889 -3.708 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.625 -4.223 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.288 -5.608 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.759 -4.637 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.272 -1.924 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.413 -2.103 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.739 -1.582 -1.950 1.00 0.00 H new ATOM 528 N SER A 37 7.908 -3.078 -4.087 1.00 0.00 N ATOM 529 CA SER A 37 9.263 -2.910 -4.599 1.00 0.00 C ATOM 530 C SER A 37 10.288 -2.637 -3.496 1.00 0.00 C ATOM 531 O SER A 37 10.075 -1.749 -2.677 1.00 0.00 O ATOM 532 CB SER A 37 9.295 -1.699 -5.528 1.00 0.00 C ATOM 533 OG SER A 37 8.747 -0.555 -4.887 1.00 0.00 O ATOM 0 H SER A 37 7.317 -2.256 -4.212 1.00 0.00 H new ATOM 0 HA SER A 37 9.522 -3.841 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.322 -1.495 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.733 -1.917 -6.436 1.00 0.00 H new ATOM 0 HG SER A 37 8.873 -0.631 -3.918 1.00 0.00 H new ATOM 539 N LEU A 38 11.454 -3.286 -3.565 1.00 0.00 N ATOM 540 CA LEU A 38 12.621 -2.982 -2.718 1.00 0.00 C ATOM 541 C LEU A 38 13.583 -1.974 -3.366 1.00 0.00 C ATOM 542 O LEU A 38 14.477 -1.435 -2.724 1.00 0.00 O ATOM 543 CB LEU A 38 13.325 -4.315 -2.412 1.00 0.00 C ATOM 544 CG LEU A 38 14.057 -4.466 -1.055 1.00 0.00 C ATOM 545 CD1 LEU A 38 15.564 -4.383 -1.265 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.659 -3.491 0.060 1.00 0.00 C ATOM 0 H LEU A 38 11.621 -4.050 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 38 12.285 -2.502 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.579 -5.107 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.052 -4.496 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 38 13.738 -5.445 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.071 -4.490 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.882 -5.181 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.818 -3.418 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.244 -3.703 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.851 -2.468 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.599 -3.607 0.284 1.00 0.00 H new ATOM 558 N GLU A 39 13.435 -1.772 -4.669 1.00 0.00 N ATOM 559 CA GLU A 39 14.080 -0.725 -5.452 1.00 0.00 C ATOM 560 C GLU A 39 13.293 0.592 -5.348 1.00 0.00 C ATOM 561 O GLU A 39 13.814 1.621 -4.922 1.00 0.00 O ATOM 562 CB GLU A 39 14.116 -1.244 -6.898 1.00 0.00 C ATOM 563 CG GLU A 39 14.902 -0.341 -7.835 1.00 0.00 C ATOM 564 CD GLU A 39 14.772 -0.871 -9.258 1.00 0.00 C ATOM 565 OE1 GLU A 39 15.430 -1.894 -9.543 1.00 0.00 O ATOM 566 OE2 GLU A 39 13.950 -0.294 -10.003 1.00 0.00 O ATOM 0 H GLU A 39 12.830 -2.365 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 39 15.085 -0.510 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.556 -2.241 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.096 -1.342 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.526 0.680 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.950 -0.312 -7.538 1.00 0.00 H new ATOM 573 N ASN A 40 12.016 0.534 -5.733 1.00 0.00 N ATOM 574 CA ASN A 40 11.117 1.678 -5.867 1.00 0.00 C ATOM 575 C ASN A 40 10.357 2.007 -4.570 1.00 0.00 C ATOM 576 O ASN A 40 10.468 1.340 -3.541 1.00 0.00 O ATOM 577 CB ASN A 40 10.156 1.445 -7.051 1.00 0.00 C ATOM 578 CG ASN A 40 10.905 1.751 -8.320 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.956 2.897 -8.745 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.564 0.755 -8.864 1.00 0.00 N ATOM 0 H ASN A 40 11.563 -0.349 -5.969 1.00 0.00 H new ATOM 0 HA ASN A 40 11.729 2.557 -6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.800 0.415 -7.057 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.278 2.085 -6.962 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.153 0.919 -9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.487 -0.183 -8.470 1.00 0.00 H new ATOM 587 N ARG A 41 9.515 3.037 -4.672 1.00 0.00 N ATOM 588 CA ARG A 41 8.635 3.539 -3.621 1.00 0.00 C ATOM 589 C ARG A 41 7.150 3.153 -3.808 1.00 0.00 C ATOM 590 O ARG A 41 6.274 3.985 -3.584 1.00 0.00 O ATOM 591 CB ARG A 41 8.859 5.057 -3.488 1.00 0.00 C ATOM 592 CG ARG A 41 8.609 5.882 -4.767 1.00 0.00 C ATOM 593 CD ARG A 41 9.901 6.315 -5.491 1.00 0.00 C ATOM 594 NE ARG A 41 9.726 7.590 -6.224 1.00 0.00 N ATOM 595 CZ ARG A 41 9.495 8.795 -5.705 1.00 0.00 C ATOM 596 NH1 ARG A 41 9.470 9.026 -4.411 1.00 0.00 N ATOM 597 NH2 ARG A 41 9.264 9.826 -6.486 1.00 0.00 N ATOM 0 H ARG A 41 9.426 3.570 -5.537 1.00 0.00 H new ATOM 0 HA ARG A 41 8.899 3.052 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.207 5.435 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.885 5.228 -3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.998 5.295 -5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.033 6.771 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.705 6.423 -4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.205 5.534 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 41 9.790 7.540 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.632 8.263 -3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.288 9.968 -4.065 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.260 9.708 -7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.088 10.745 -6.079 1.00 0.00 H new ATOM 611 N SER A 42 6.813 1.950 -4.281 1.00 0.00 N ATOM 612 CA SER A 42 5.433 1.598 -4.678 1.00 0.00 C ATOM 613 C SER A 42 4.996 0.171 -4.329 1.00 0.00 C ATOM 614 O SER A 42 5.781 -0.774 -4.404 1.00 0.00 O ATOM 615 CB SER A 42 5.238 1.787 -6.185 1.00 0.00 C ATOM 616 OG SER A 42 6.385 1.404 -6.925 1.00 0.00 O ATOM 0 H SER A 42 7.482 1.190 -4.402 1.00 0.00 H new ATOM 0 HA SER A 42 4.811 2.278 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.381 1.199 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.006 2.832 -6.392 1.00 0.00 H new ATOM 0 HG SER A 42 6.217 1.539 -7.881 1.00 0.00 H new ATOM 622 N ALA A 43 3.706 0.019 -4.029 1.00 0.00 N ATOM 623 CA ALA A 43 3.061 -1.206 -3.549 1.00 0.00 C ATOM 624 C ALA A 43 1.901 -1.601 -4.475 1.00 0.00 C ATOM 625 O ALA A 43 1.164 -0.739 -4.951 1.00 0.00 O ATOM 626 CB ALA A 43 2.557 -0.942 -2.115 1.00 0.00 C ATOM 0 H ALA A 43 3.045 0.790 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 43 3.770 -2.034 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.071 -1.838 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.400 -0.683 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.843 -0.118 -2.126 1.00 0.00 H new ATOM 632 N ILE A 44 1.712 -2.903 -4.687 1.00 0.00 N ATOM 633 CA ILE A 44 0.558 -3.516 -5.355 1.00 0.00 C ATOM 634 C ILE A 44 -0.099 -4.403 -4.296 1.00 0.00 C ATOM 635 O ILE A 44 0.524 -5.337 -3.788 1.00 0.00 O ATOM 636 CB ILE A 44 1.002 -4.309 -6.602 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.731 -3.385 -7.608 1.00 0.00 C ATOM 638 CG2 ILE A 44 -0.235 -4.966 -7.242 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.365 -4.128 -8.789 1.00 0.00 C ATOM 0 H ILE A 44 2.394 -3.597 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.149 -2.775 -5.727 1.00 0.00 H new ATOM 0 HB ILE A 44 1.707 -5.087 -6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.022 -2.651 -7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.508 -2.832 -7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.068 -5.529 -8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.701 -5.640 -6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.948 -4.194 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.856 -3.412 -9.448 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.100 -4.842 -8.417 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.591 -4.659 -9.343 1.00 0.00 H new ATOM 651 N VAL A 45 -1.341 -4.096 -3.948 1.00 0.00 N ATOM 652 CA VAL A 45 -2.035 -4.618 -2.766 1.00 0.00 C ATOM 653 C VAL A 45 -3.326 -5.316 -3.195 1.00 0.00 C ATOM 654 O VAL A 45 -4.194 -4.676 -3.782 1.00 0.00 O ATOM 655 CB VAL A 45 -2.368 -3.417 -1.858 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.976 -3.875 -0.523 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.152 -2.517 -1.556 1.00 0.00 C ATOM 0 H VAL A 45 -1.917 -3.456 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.411 -5.339 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.092 -2.830 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.199 -3.004 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.895 -4.430 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.266 -4.517 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.460 -1.693 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.382 -3.102 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.753 -2.119 -2.489 1.00 0.00 H new ATOM 667 N VAL A 46 -3.461 -6.611 -2.904 1.00 0.00 N ATOM 668 CA VAL A 46 -4.511 -7.506 -3.422 1.00 0.00 C ATOM 669 C VAL A 46 -5.559 -7.750 -2.328 1.00 0.00 C ATOM 670 O VAL A 46 -5.275 -8.418 -1.338 1.00 0.00 O ATOM 671 CB VAL A 46 -3.871 -8.846 -3.875 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.874 -9.940 -4.259 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.887 -8.661 -5.046 1.00 0.00 C ATOM 0 H VAL A 46 -2.817 -7.090 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.001 -7.046 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.340 -9.180 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.335 -10.838 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.508 -10.169 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.493 -9.592 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.467 -9.628 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.414 -8.234 -5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.083 -7.990 -4.743 1.00 0.00 H new ATOM 683 N TYR A 47 -6.762 -7.190 -2.477 1.00 0.00 N ATOM 684 CA TYR A 47 -7.814 -7.171 -1.450 1.00 0.00 C ATOM 685 C TYR A 47 -9.134 -7.805 -1.923 1.00 0.00 C ATOM 686 O TYR A 47 -9.521 -7.667 -3.081 1.00 0.00 O ATOM 687 CB TYR A 47 -8.030 -5.730 -0.956 1.00 0.00 C ATOM 688 CG TYR A 47 -8.760 -4.837 -1.944 1.00 0.00 C ATOM 689 CD1 TYR A 47 -8.051 -4.169 -2.960 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.164 -4.725 -1.883 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.730 -3.372 -3.900 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.855 -3.973 -2.851 1.00 0.00 C ATOM 693 CZ TYR A 47 -10.142 -3.298 -3.862 1.00 0.00 C ATOM 694 OH TYR A 47 -10.839 -2.623 -4.814 1.00 0.00 O ATOM 0 H TYR A 47 -7.042 -6.723 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.472 -7.790 -0.621 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.594 -5.758 -0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.061 -5.286 -0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.977 -4.269 -3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.710 -5.217 -1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.177 -2.820 -4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.933 -3.913 -2.819 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.798 -2.684 -4.622 1.00 0.00 H new ATOM 704 N ASN A 48 -9.866 -8.490 -1.041 1.00 0.00 N ATOM 705 CA ASN A 48 -11.041 -9.272 -1.420 1.00 0.00 C ATOM 706 C ASN A 48 -12.344 -8.478 -1.233 1.00 0.00 C ATOM 707 O ASN A 48 -12.698 -8.091 -0.120 1.00 0.00 O ATOM 708 CB ASN A 48 -11.060 -10.596 -0.645 1.00 0.00 C ATOM 709 CG ASN A 48 -12.137 -11.507 -1.217 1.00 0.00 C ATOM 710 OD1 ASN A 48 -11.801 -12.321 -2.202 1.00 0.00 O flip ATOM 711 ND2 ASN A 48 -13.296 -11.437 -0.841 1.00 0.00 N flip ATOM 0 H ASN A 48 -9.659 -8.517 -0.043 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.974 -9.499 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.086 -11.081 -0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.252 -10.408 0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.548 -10.806 -0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.013 -12.009 -1.288 1.00 0.00 H new ATOM 780 N PRO A 54 -9.829 1.519 -3.290 1.00 0.00 N ATOM 781 CA PRO A 54 -8.388 1.696 -3.155 1.00 0.00 C ATOM 782 C PRO A 54 -8.020 2.813 -2.165 1.00 0.00 C ATOM 783 O PRO A 54 -6.946 2.753 -1.574 1.00 0.00 O ATOM 784 CB PRO A 54 -7.904 2.004 -4.578 1.00 0.00 C ATOM 785 CG PRO A 54 -9.108 2.678 -5.231 1.00 0.00 C ATOM 786 CD PRO A 54 -10.239 1.844 -4.641 1.00 0.00 C ATOM 0 HA PRO A 54 -7.910 0.808 -2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.033 2.659 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.616 1.096 -5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.188 3.733 -4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.075 2.623 -6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.176 2.401 -4.642 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.405 0.940 -5.227 1.00 0.00 H new ATOM 794 N GLU A 55 -8.915 3.785 -1.925 1.00 0.00 N ATOM 795 CA GLU A 55 -8.761 4.803 -0.881 1.00 0.00 C ATOM 796 C GLU A 55 -8.421 4.192 0.488 1.00 0.00 C ATOM 797 O GLU A 55 -7.563 4.710 1.188 1.00 0.00 O ATOM 798 CB GLU A 55 -10.057 5.630 -0.752 1.00 0.00 C ATOM 799 CG GLU A 55 -9.967 7.075 -1.287 1.00 0.00 C ATOM 800 CD GLU A 55 -8.750 7.891 -0.829 1.00 0.00 C ATOM 801 OE1 GLU A 55 -8.634 8.248 0.364 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.899 8.203 -1.689 1.00 0.00 O ATOM 0 H GLU A 55 -9.777 3.884 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.930 5.441 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.855 5.111 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.344 5.665 0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.965 7.038 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.870 7.608 -0.988 1.00 0.00 H new ATOM 809 N SER A 56 -9.033 3.077 0.886 1.00 0.00 N ATOM 810 CA SER A 56 -8.801 2.458 2.190 1.00 0.00 C ATOM 811 C SER A 56 -7.413 1.814 2.302 1.00 0.00 C ATOM 812 O SER A 56 -6.807 1.809 3.374 1.00 0.00 O ATOM 813 CB SER A 56 -9.863 1.382 2.425 1.00 0.00 C ATOM 814 OG SER A 56 -11.136 1.737 1.892 1.00 0.00 O ATOM 0 H SER A 56 -9.708 2.575 0.309 1.00 0.00 H new ATOM 0 HA SER A 56 -8.859 3.247 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.533 0.447 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.960 1.201 3.496 1.00 0.00 H new ATOM 0 HG SER A 56 -11.777 1.016 2.067 1.00 0.00 H new ATOM 820 N LEU A 57 -6.892 1.284 1.186 1.00 0.00 N ATOM 821 CA LEU A 57 -5.542 0.731 1.143 1.00 0.00 C ATOM 822 C LEU A 57 -4.506 1.853 1.154 1.00 0.00 C ATOM 823 O LEU A 57 -3.573 1.794 1.950 1.00 0.00 O ATOM 824 CB LEU A 57 -5.348 -0.148 -0.094 1.00 0.00 C ATOM 825 CG LEU A 57 -6.318 -1.327 -0.298 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.813 -2.141 -1.498 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.462 -2.225 0.938 1.00 0.00 C ATOM 0 H LEU A 57 -7.393 1.229 0.299 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.404 0.112 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.411 0.493 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.335 -0.549 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.315 -0.924 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.479 -2.986 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.793 -1.508 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.808 -2.508 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.160 -3.033 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.490 -2.645 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.838 -1.636 1.774 1.00 0.00 H new ATOM 839 N ARG A 58 -4.713 2.901 0.340 1.00 0.00 N ATOM 840 CA ARG A 58 -3.963 4.154 0.367 1.00 0.00 C ATOM 841 C ARG A 58 -3.884 4.680 1.800 1.00 0.00 C ATOM 842 O ARG A 58 -2.791 4.929 2.292 1.00 0.00 O ATOM 843 CB ARG A 58 -4.673 5.155 -0.554 1.00 0.00 C ATOM 844 CG ARG A 58 -4.074 6.560 -0.533 1.00 0.00 C ATOM 845 CD ARG A 58 -5.135 7.624 -0.805 1.00 0.00 C ATOM 846 NE ARG A 58 -4.596 8.949 -0.495 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.997 10.119 -0.944 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.067 10.254 -1.700 1.00 0.00 N ATOM 849 NH2 ARG A 58 -4.283 11.157 -0.570 1.00 0.00 N ATOM 0 H ARG A 58 -5.436 2.892 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.943 4.001 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.644 4.775 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.722 5.215 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.612 6.745 0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.285 6.632 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.446 7.583 -1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.021 7.431 -0.200 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.808 8.968 0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.617 9.434 -1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.346 11.178 -2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.471 11.027 0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.541 12.093 -0.884 1.00 0.00 H new ATOM 863 N LYS A 59 -5.022 4.791 2.490 1.00 0.00 N ATOM 864 CA LYS A 59 -5.113 5.167 3.903 1.00 0.00 C ATOM 865 C LYS A 59 -4.285 4.272 4.824 1.00 0.00 C ATOM 866 O LYS A 59 -3.581 4.793 5.681 1.00 0.00 O ATOM 867 CB LYS A 59 -6.590 5.184 4.335 1.00 0.00 C ATOM 868 CG LYS A 59 -7.130 6.614 4.427 1.00 0.00 C ATOM 869 CD LYS A 59 -7.023 7.345 3.089 1.00 0.00 C ATOM 870 CE LYS A 59 -7.317 8.835 3.214 1.00 0.00 C ATOM 871 NZ LYS A 59 -6.827 9.500 1.994 1.00 0.00 N ATOM 0 H LYS A 59 -5.934 4.616 2.067 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.686 6.165 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.186 4.614 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.693 4.692 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.172 6.590 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.576 7.164 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.021 7.208 2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.718 6.899 2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.387 9.003 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.827 9.247 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.106 10.502 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.790 9.430 1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.238 9.038 1.158 1.00 0.00 H new ATOM 885 N ALA A 60 -4.313 2.951 4.621 1.00 0.00 N ATOM 886 CA ALA A 60 -3.437 2.041 5.358 1.00 0.00 C ATOM 887 C ALA A 60 -1.945 2.346 5.123 1.00 0.00 C ATOM 888 O ALA A 60 -1.150 2.265 6.056 1.00 0.00 O ATOM 889 CB ALA A 60 -3.810 0.609 4.980 1.00 0.00 C ATOM 0 H ALA A 60 -4.932 2.491 3.954 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.585 2.180 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.168 -0.088 5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.851 0.422 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.677 0.470 3.907 1.00 0.00 H new ATOM 895 N ILE A 61 -1.568 2.770 3.909 1.00 0.00 N ATOM 896 CA ILE A 61 -0.200 3.238 3.635 1.00 0.00 C ATOM 897 C ILE A 61 0.082 4.586 4.312 1.00 0.00 C ATOM 898 O ILE A 61 1.012 4.692 5.109 1.00 0.00 O ATOM 899 CB ILE A 61 0.164 3.278 2.128 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.545 2.239 1.247 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.681 3.102 2.003 1.00 0.00 C ATOM 902 CD1 ILE A 61 0.044 1.991 -0.143 1.00 0.00 C ATOM 0 H ILE A 61 -2.190 2.799 3.101 1.00 0.00 H new ATOM 0 HA ILE A 61 0.455 2.487 4.076 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.182 4.242 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.557 1.291 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.583 2.549 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.965 3.126 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.186 3.909 2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.973 2.145 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.549 1.237 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.030 2.919 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.071 1.640 -0.046 1.00 0.00 H new ATOM 914 N GLU A 62 -0.752 5.602 4.062 1.00 0.00 N ATOM 915 CA GLU A 62 -0.647 6.931 4.669 1.00 0.00 C ATOM 916 C GLU A 62 -0.573 6.844 6.200 1.00 0.00 C ATOM 917 O GLU A 62 0.075 7.680 6.814 1.00 0.00 O ATOM 918 CB GLU A 62 -1.828 7.835 4.243 1.00 0.00 C ATOM 919 CG GLU A 62 -1.809 8.219 2.754 1.00 0.00 C ATOM 920 CD GLU A 62 -2.965 9.104 2.262 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.144 8.883 2.620 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.720 9.937 1.359 1.00 0.00 O ATOM 0 H GLU A 62 -1.537 5.519 3.416 1.00 0.00 H new ATOM 0 HA GLU A 62 0.279 7.378 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.764 7.323 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.812 8.744 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.871 8.735 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.806 7.302 2.165 1.00 0.00 H new ATOM 929 N ALA A 63 -1.149 5.803 6.816 1.00 0.00 N ATOM 930 CA ALA A 63 -1.141 5.583 8.262 1.00 0.00 C ATOM 931 C ALA A 63 0.102 4.862 8.816 1.00 0.00 C ATOM 932 O ALA A 63 0.182 4.673 10.028 1.00 0.00 O ATOM 933 CB ALA A 63 -2.440 4.855 8.640 1.00 0.00 C ATOM 0 H ALA A 63 -1.646 5.073 6.305 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.087 6.563 8.736 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.459 4.679 9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.296 5.468 8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.488 3.901 8.115 1.00 0.00 H new ATOM 939 N VAL A 64 1.078 4.519 7.968 1.00 0.00 N ATOM 940 CA VAL A 64 2.345 3.880 8.377 1.00 0.00 C ATOM 941 C VAL A 64 3.453 4.910 8.570 1.00 0.00 C ATOM 942 O VAL A 64 4.341 4.731 9.398 1.00 0.00 O ATOM 943 CB VAL A 64 2.786 2.745 7.422 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.687 3.111 6.260 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.572 1.695 8.221 1.00 0.00 C ATOM 0 H VAL A 64 1.014 4.678 6.962 1.00 0.00 H new ATOM 0 HA VAL A 64 2.152 3.409 9.341 1.00 0.00 H new ATOM 0 HB VAL A 64 1.841 2.410 6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.913 2.217 5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.183 3.839 5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.614 3.541 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.886 0.891 7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.450 2.161 8.668 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.938 1.287 9.008 1.00 0.00 H new ATOM 955 N SER A 65 3.400 6.018 7.828 1.00 0.00 N ATOM 956 CA SER A 65 4.241 7.185 8.073 1.00 0.00 C ATOM 957 C SER A 65 3.526 8.493 7.664 1.00 0.00 C ATOM 958 O SER A 65 3.920 9.152 6.698 1.00 0.00 O ATOM 959 CB SER A 65 5.655 7.007 7.494 1.00 0.00 C ATOM 960 OG SER A 65 6.087 5.660 7.337 1.00 0.00 O ATOM 0 H SER A 65 2.767 6.129 7.036 1.00 0.00 H new ATOM 0 HA SER A 65 4.400 7.277 9.147 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.695 7.499 6.522 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.362 7.524 8.143 1.00 0.00 H new ATOM 0 HG SER A 65 6.155 5.447 6.383 1.00 0.00 H new ATOM 966 N PRO A 66 2.442 8.861 8.376 1.00 0.00 N ATOM 967 CA PRO A 66 1.624 10.035 8.073 1.00 0.00 C ATOM 968 C PRO A 66 2.430 11.334 8.095 1.00 0.00 C ATOM 969 O PRO A 66 3.324 11.514 8.920 1.00 0.00 O ATOM 970 CB PRO A 66 0.473 10.035 9.090 1.00 0.00 C ATOM 971 CG PRO A 66 0.933 9.076 10.191 1.00 0.00 C ATOM 972 CD PRO A 66 1.805 8.086 9.429 1.00 0.00 C ATOM 0 HA PRO A 66 1.236 9.981 7.056 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.292 11.035 9.485 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.459 9.699 8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.493 9.593 10.970 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.091 8.583 10.677 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.547 7.631 10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.207 7.275 9.013 1.00 0.00 H new ATOM 980 N GLY A 67 2.118 12.231 7.153 1.00 0.00 N ATOM 981 CA GLY A 67 2.834 13.493 6.917 1.00 0.00 C ATOM 982 C GLY A 67 4.005 13.338 5.943 1.00 0.00 C ATOM 983 O GLY A 67 4.180 14.178 5.065 1.00 0.00 O ATOM 0 H GLY A 67 1.336 12.096 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.137 14.233 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.206 13.877 7.867 1.00 0.00 H new ATOM 987 N LEU A 68 4.764 12.247 6.064 1.00 0.00 N ATOM 988 CA LEU A 68 5.822 11.860 5.122 1.00 0.00 C ATOM 989 C LEU A 68 5.238 11.266 3.832 1.00 0.00 C ATOM 990 O LEU A 68 5.700 11.546 2.728 1.00 0.00 O ATOM 991 CB LEU A 68 6.741 10.859 5.843 1.00 0.00 C ATOM 992 CG LEU A 68 7.903 10.324 4.987 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.895 11.429 4.629 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.618 9.233 5.781 1.00 0.00 C ATOM 0 H LEU A 68 4.659 11.591 6.838 1.00 0.00 H new ATOM 0 HA LEU A 68 6.392 12.737 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.152 11.338 6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.141 10.016 6.185 1.00 0.00 H new ATOM 0 HG LEU A 68 7.501 9.929 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.701 11.013 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.383 12.208 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.310 11.856 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.447 8.839 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.001 9.652 6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.918 8.429 6.006 1.00 0.00 H new ATOM 1006 N TYR A 69 4.228 10.407 3.972 1.00 0.00 N ATOM 1007 CA TYR A 69 3.733 9.570 2.879 1.00 0.00 C ATOM 1008 C TYR A 69 2.818 10.277 1.861 1.00 0.00 C ATOM 1009 O TYR A 69 1.596 10.350 2.005 1.00 0.00 O ATOM 1010 CB TYR A 69 3.107 8.297 3.470 1.00 0.00 C ATOM 1011 CG TYR A 69 4.092 7.171 3.751 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.458 7.401 4.024 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.637 5.847 3.660 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.342 6.326 4.236 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.524 4.770 3.790 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.870 5.003 4.126 1.00 0.00 C ATOM 1017 OH TYR A 69 6.693 3.961 4.400 1.00 0.00 O ATOM 0 H TYR A 69 3.728 10.272 4.851 1.00 0.00 H new ATOM 0 HA TYR A 69 4.595 9.306 2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.599 8.557 4.399 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.345 7.931 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.829 8.414 4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.588 5.655 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.377 6.514 4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.174 3.761 3.632 1.00 0.00 H new ATOM 0 HH TYR A 69 7.526 4.296 4.793 1.00 0.00 H new ATOM 1027 N ARG A 70 3.410 10.697 0.740 1.00 0.00 N ATOM 1028 CA ARG A 70 2.703 11.176 -0.449 1.00 0.00 C ATOM 1029 C ARG A 70 2.150 10.023 -1.302 1.00 0.00 C ATOM 1030 O ARG A 70 2.744 9.619 -2.298 1.00 0.00 O ATOM 1031 CB ARG A 70 3.668 11.988 -1.276 1.00 0.00 C ATOM 1032 CG ARG A 70 3.775 13.456 -0.875 1.00 0.00 C ATOM 1033 CD ARG A 70 4.491 14.114 -2.040 1.00 0.00 C ATOM 1034 NE ARG A 70 4.539 15.578 -1.943 1.00 0.00 N ATOM 1035 CZ ARG A 70 5.176 16.382 -2.788 1.00 0.00 C ATOM 1036 NH1 ARG A 70 5.909 15.941 -3.791 1.00 0.00 N ATOM 1037 NH2 ARG A 70 5.081 17.685 -2.624 1.00 0.00 N ATOM 0 H ARG A 70 4.424 10.713 0.632 1.00 0.00 H new ATOM 0 HA ARG A 70 1.853 11.776 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.656 11.534 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.365 11.932 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.791 13.896 -0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.334 13.575 0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.509 13.727 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.992 13.835 -2.968 1.00 0.00 H new ATOM 0 HE ARG A 70 4.044 16.013 -1.165 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.008 14.938 -3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.377 16.603 -4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.525 18.063 -1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.564 18.316 -3.264 1.00 0.00 H new ATOM 1051 N VAL A 71 1.024 9.468 -0.890 1.00 0.00 N ATOM 1052 CA VAL A 71 0.453 8.243 -1.499 1.00 0.00 C ATOM 1053 C VAL A 71 -0.457 8.566 -2.681 1.00 0.00 C ATOM 1054 O VAL A 71 -1.449 9.279 -2.547 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.266 7.316 -0.496 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.554 5.942 -1.124 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.627 7.084 0.730 1.00 0.00 C ATOM 0 H VAL A 71 0.466 9.842 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 71 1.316 7.686 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.202 7.799 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.061 5.308 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.190 6.069 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.384 5.474 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.115 6.429 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.562 6.619 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.840 8.039 1.211 1.00 0.00 H new ATOM 1067 N SER A 72 -0.112 8.012 -3.842 1.00 0.00 N ATOM 1068 CA SER A 72 -0.776 8.278 -5.119 1.00 0.00 C ATOM 1069 C SER A 72 -1.237 6.970 -5.781 1.00 0.00 C ATOM 1070 O SER A 72 -0.455 6.030 -5.893 1.00 0.00 O ATOM 1071 CB SER A 72 0.185 9.000 -6.078 1.00 0.00 C ATOM 1072 OG SER A 72 1.208 9.746 -5.438 1.00 0.00 O ATOM 0 H SER A 72 0.658 7.348 -3.924 1.00 0.00 H new ATOM 0 HA SER A 72 -1.644 8.906 -4.916 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.647 8.261 -6.732 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.393 9.671 -6.713 1.00 0.00 H new ATOM 0 HG SER A 72 1.775 10.171 -6.115 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.480 6.907 -6.266 1.00 0.00 N ATOM 1079 CA ILE A 73 -3.074 5.729 -6.932 1.00 0.00 C ATOM 1080 C ILE A 73 -2.728 5.755 -8.428 1.00 0.00 C ATOM 1081 O ILE A 73 -3.487 6.281 -9.244 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.608 5.661 -6.694 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.983 5.854 -5.203 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -5.131 4.308 -7.221 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.489 5.867 -4.906 1.00 0.00 C ATOM 0 H ILE A 73 -3.126 7.694 -6.208 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.651 4.824 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.079 6.481 -7.236 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.521 5.056 -4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.552 6.792 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.207 4.246 -7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.918 4.226 -8.287 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.638 3.495 -6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.648 6.007 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.961 6.683 -5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.929 4.920 -5.217 1.00 0.00 H new ATOM 1097 N THR A 74 -1.549 5.235 -8.785 1.00 0.00 N ATOM 1098 CA THR A 74 -1.092 5.224 -10.177 1.00 0.00 C ATOM 1099 C THR A 74 -1.796 4.108 -10.943 1.00 0.00 C ATOM 1100 O THR A 74 -1.618 2.927 -10.660 1.00 0.00 O ATOM 1101 CB THR A 74 0.437 5.202 -10.270 1.00 0.00 C ATOM 1102 OG1 THR A 74 0.784 5.160 -11.631 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.128 4.040 -9.550 1.00 0.00 C ATOM 0 H THR A 74 -0.893 4.815 -8.126 1.00 0.00 H new ATOM 0 HA THR A 74 -1.376 6.156 -10.666 1.00 0.00 H new ATOM 0 HB THR A 74 0.785 6.101 -9.762 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.760 5.147 -11.720 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.207 4.122 -9.680 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.887 4.075 -8.488 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.783 3.095 -9.969 1.00 0.00 H new