USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 32 SER OG : rot -44:sc= 1.24 USER MOD Set 1.2: A 33 GLN : amide:sc= -0.317 X(o=0.93,f=0.85) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.19 K(o=0.37,f=-3.7!) USER MOD Set 2.2: A 26 THR OG1 : rot -160:sc= 0.175 USER MOD Single : A 1 GLY N :NH3+ 177:sc= 0.445 (180deg=0.431) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 177:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= -0.0609 (180deg=-2.48!) USER MOD Single : A 12 GLN : amide:sc= 1.44 K(o=1.4,f=-7.1!) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= -1.19! (180deg=-1.35!) USER MOD Single : A 17 MET CE :methyl 173:sc= -0.0465 (180deg=-0.16) USER MOD Single : A 21 GLN : amide:sc=-0.00711 X(o=-0.0071,f=0) USER MOD Single : A 28 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 29 GLN : amide:sc= 1.18 K(o=1.2,f=-0.03) USER MOD Single : A 37 LYS NZ :NH3+ 151:sc= 1.23 (180deg=0.57) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 1.77 (180deg=1.69) USER MOD Single : A 46 LYS NZ :NH3+ 139:sc= 1.06 (180deg=0.435) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 153:sc= 0 (180deg=-0.663) USER MOD Single : A 51 SER OG : rot -100:sc= 0.932 USER MOD Single : A 57 SER OG : rot -135:sc= 0.611 USER MOD Single : A 62 THR OG1 : rot -85:sc= 1.22 USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 1.31 (180deg=1.27) USER MOD Single : A 65 LYS NZ :NH3+ -134:sc= 1.21 (180deg=0.177) USER MOD Single : A 67 GLN : amide:sc= -0.827 K(o=-0.83,f=-2.2!) USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.07) USER MOD Single : A 77 LYS NZ :NH3+ -144:sc= -0.507 (180deg=-2.09!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.755 -0.423 3.516 1.00 0.00 N ATOM 2 CA GLY A 1 -16.597 -1.502 4.520 1.00 0.00 C ATOM 3 C GLY A 1 -15.428 -1.213 5.458 1.00 0.00 C ATOM 4 O GLY A 1 -14.710 -0.243 5.218 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.524 -0.669 2.860 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.984 0.469 3.999 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.868 -0.311 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.515 -1.602 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.434 -2.453 4.013 1.00 0.00 H new ATOM 10 N TYR A 2 -15.181 -2.074 6.466 1.00 0.00 N ATOM 11 CA TYR A 2 -13.973 -2.041 7.322 1.00 0.00 C ATOM 12 C TYR A 2 -12.704 -1.928 6.470 1.00 0.00 C ATOM 13 O TYR A 2 -11.746 -1.253 6.843 1.00 0.00 O ATOM 14 CB TYR A 2 -13.929 -3.290 8.223 1.00 0.00 C ATOM 15 CG TYR A 2 -12.630 -3.522 8.991 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.050 -2.494 9.762 1.00 0.00 C ATOM 17 CD2 TYR A 2 -12.005 -4.787 8.952 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.863 -2.724 10.483 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.822 -5.026 9.678 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.245 -3.997 10.456 1.00 0.00 C ATOM 21 OH TYR A 2 -9.111 -4.228 11.171 1.00 0.00 O ATOM 0 H TYR A 2 -15.825 -2.825 6.714 1.00 0.00 H new ATOM 0 HA TYR A 2 -14.020 -1.159 7.960 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.745 -3.222 8.943 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -14.122 -4.166 7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.520 -1.522 9.800 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -12.438 -5.579 8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.422 -1.925 11.060 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.354 -5.999 9.640 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.824 -5.155 11.038 1.00 0.00 H new ATOM 31 N PHE A 3 -12.742 -2.539 5.284 1.00 0.00 N ATOM 32 CA PHE A 3 -11.714 -2.443 4.272 1.00 0.00 C ATOM 33 C PHE A 3 -11.194 -1.024 4.046 1.00 0.00 C ATOM 34 O PHE A 3 -9.994 -0.900 3.838 1.00 0.00 O ATOM 35 CB PHE A 3 -12.230 -3.025 2.958 1.00 0.00 C ATOM 36 CG PHE A 3 -12.159 -4.526 2.835 1.00 0.00 C ATOM 37 CD1 PHE A 3 -10.936 -5.097 2.431 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.293 -5.338 3.018 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.848 -6.474 2.185 1.00 0.00 C ATOM 40 CE2 PHE A 3 -13.197 -6.721 2.790 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.980 -7.282 2.364 1.00 0.00 C ATOM 0 H PHE A 3 -13.522 -3.133 5.002 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.865 -3.019 4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.267 -2.717 2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.662 -2.584 2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.064 -4.472 2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.230 -4.902 3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.915 -6.910 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.059 -7.354 2.942 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.917 -8.343 2.173 1.00 0.00 H new ATOM 51 N CYS A 4 -12.027 0.026 4.067 1.00 0.00 N ATOM 52 CA CYS A 4 -11.536 1.384 3.846 1.00 0.00 C ATOM 53 C CYS A 4 -10.514 1.776 4.915 1.00 0.00 C ATOM 54 O CYS A 4 -9.431 2.248 4.583 1.00 0.00 O ATOM 55 CB CYS A 4 -12.677 2.411 3.796 1.00 0.00 C ATOM 56 SG CYS A 4 -12.150 3.944 2.976 1.00 0.00 S ATOM 0 H CYS A 4 -13.031 -0.042 4.233 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.046 1.390 2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.529 1.986 3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.013 2.635 4.809 1.00 0.00 H new ATOM 61 N GLU A 5 -10.850 1.563 6.190 1.00 0.00 N ATOM 62 CA GLU A 5 -9.990 1.860 7.332 1.00 0.00 C ATOM 63 C GLU A 5 -8.710 1.028 7.212 1.00 0.00 C ATOM 64 O GLU A 5 -7.602 1.567 7.219 1.00 0.00 O ATOM 65 CB GLU A 5 -10.788 1.580 8.622 1.00 0.00 C ATOM 66 CG GLU A 5 -10.113 2.053 9.918 1.00 0.00 C ATOM 67 CD GLU A 5 -8.826 1.298 10.244 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.825 0.044 10.263 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.773 1.949 10.424 1.00 0.00 O ATOM 0 H GLU A 5 -11.751 1.169 6.460 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.685 2.906 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.762 2.062 8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.968 0.507 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.890 3.117 9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.812 1.938 10.746 1.00 0.00 H new ATOM 76 N SER A 6 -8.868 -0.284 7.023 1.00 0.00 N ATOM 77 CA SER A 6 -7.756 -1.211 6.881 1.00 0.00 C ATOM 78 C SER A 6 -6.808 -0.773 5.762 1.00 0.00 C ATOM 79 O SER A 6 -5.605 -0.664 5.982 1.00 0.00 O ATOM 80 CB SER A 6 -8.302 -2.608 6.602 1.00 0.00 C ATOM 81 OG SER A 6 -9.015 -3.114 7.706 1.00 0.00 O ATOM 0 H SER A 6 -9.783 -0.732 6.964 1.00 0.00 H new ATOM 0 HA SER A 6 -7.184 -1.220 7.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.955 -2.577 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.478 -3.280 6.361 1.00 0.00 H new ATOM 0 HG SER A 6 -9.390 -3.991 7.480 1.00 0.00 H new ATOM 87 N CYS A 7 -7.350 -0.522 4.572 1.00 0.00 N ATOM 88 CA CYS A 7 -6.631 -0.107 3.382 1.00 0.00 C ATOM 89 C CYS A 7 -5.919 1.223 3.624 1.00 0.00 C ATOM 90 O CYS A 7 -4.729 1.321 3.326 1.00 0.00 O ATOM 91 CB CYS A 7 -7.624 -0.041 2.219 1.00 0.00 C ATOM 92 SG CYS A 7 -6.962 0.547 0.647 1.00 0.00 S ATOM 0 H CYS A 7 -8.353 -0.609 4.410 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.852 -0.827 3.131 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.040 -1.037 2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.450 0.609 2.509 1.00 0.00 H new ATOM 97 N ARG A 8 -6.605 2.221 4.207 1.00 0.00 N ATOM 98 CA ARG A 8 -5.990 3.500 4.547 1.00 0.00 C ATOM 99 C ARG A 8 -4.771 3.229 5.414 1.00 0.00 C ATOM 100 O ARG A 8 -3.695 3.707 5.089 1.00 0.00 O ATOM 101 CB ARG A 8 -6.983 4.458 5.244 1.00 0.00 C ATOM 102 CG ARG A 8 -6.375 5.864 5.456 1.00 0.00 C ATOM 103 CD ARG A 8 -6.921 6.608 6.686 1.00 0.00 C ATOM 104 NE ARG A 8 -6.046 7.740 7.059 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.288 8.708 7.954 1.00 0.00 C ATOM 106 NH1 ARG A 8 -7.458 8.783 8.587 1.00 0.00 N ATOM 107 NH2 ARG A 8 -5.334 9.597 8.208 1.00 0.00 N ATOM 0 H ARG A 8 -7.593 2.158 4.451 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.685 4.006 3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.889 4.541 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.276 4.040 6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.294 5.769 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.563 6.467 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.925 6.975 6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.004 5.917 7.525 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.149 7.790 6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.187 8.097 8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.624 9.527 9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.438 9.535 7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.498 10.342 8.886 1.00 0.00 H new ATOM 121 N LYS A 9 -4.921 2.482 6.508 1.00 0.00 N ATOM 122 CA LYS A 9 -3.834 2.207 7.437 1.00 0.00 C ATOM 123 C LYS A 9 -2.679 1.465 6.757 1.00 0.00 C ATOM 124 O LYS A 9 -1.524 1.784 7.034 1.00 0.00 O ATOM 125 CB LYS A 9 -4.428 1.456 8.634 1.00 0.00 C ATOM 126 CG LYS A 9 -3.414 1.177 9.752 1.00 0.00 C ATOM 127 CD LYS A 9 -4.054 1.007 11.144 1.00 0.00 C ATOM 128 CE LYS A 9 -4.949 -0.230 11.346 1.00 0.00 C ATOM 129 NZ LYS A 9 -6.172 -0.186 10.526 1.00 0.00 N ATOM 0 H LYS A 9 -5.806 2.050 6.773 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.385 3.135 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.255 2.037 9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.844 0.510 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.856 0.274 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.695 1.995 9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.255 0.974 11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.648 1.896 11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.382 -1.128 11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.224 -0.307 12.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.949 -0.651 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.427 0.804 10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.005 -0.680 9.626 1.00 0.00 H new ATOM 143 N ILE A 10 -2.975 0.495 5.886 1.00 0.00 N ATOM 144 CA ILE A 10 -1.975 -0.245 5.123 1.00 0.00 C ATOM 145 C ILE A 10 -1.164 0.735 4.274 1.00 0.00 C ATOM 146 O ILE A 10 0.058 0.772 4.428 1.00 0.00 O ATOM 147 CB ILE A 10 -2.622 -1.420 4.346 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.030 -2.524 5.351 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.662 -2.035 3.311 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.002 -3.559 4.774 1.00 0.00 C ATOM 0 H ILE A 10 -3.932 0.200 5.691 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.261 -0.731 5.788 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.487 -1.025 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.132 -3.036 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.487 -2.057 6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.161 -2.854 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.369 -1.273 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.775 -2.414 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.241 -4.299 5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.917 -3.060 4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.541 -4.055 3.920 1.00 0.00 H new ATOM 162 N ILE A 11 -1.807 1.525 3.405 1.00 0.00 N ATOM 163 CA ILE A 11 -1.060 2.474 2.592 1.00 0.00 C ATOM 164 C ILE A 11 -0.377 3.521 3.469 1.00 0.00 C ATOM 165 O ILE A 11 0.775 3.798 3.197 1.00 0.00 O ATOM 166 CB ILE A 11 -1.883 3.067 1.431 1.00 0.00 C ATOM 167 CG1 ILE A 11 -1.913 2.061 0.247 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.279 4.383 0.908 1.00 0.00 C ATOM 169 CD1 ILE A 11 -3.309 1.539 -0.049 1.00 0.00 C ATOM 0 H ILE A 11 -2.816 1.523 3.253 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.267 1.920 2.090 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.884 3.263 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.515 2.545 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.257 1.221 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.891 4.765 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.251 5.116 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.266 4.201 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.267 0.841 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.701 1.028 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.963 2.373 -0.305 1.00 0.00 H new ATOM 181 N GLN A 12 -0.997 4.082 4.509 1.00 0.00 N ATOM 182 CA GLN A 12 -0.377 5.159 5.288 1.00 0.00 C ATOM 183 C GLN A 12 0.973 4.731 5.853 1.00 0.00 C ATOM 184 O GLN A 12 1.919 5.512 5.838 1.00 0.00 O ATOM 185 CB GLN A 12 -1.286 5.607 6.441 1.00 0.00 C ATOM 186 CG GLN A 12 -2.520 6.381 5.969 1.00 0.00 C ATOM 187 CD GLN A 12 -2.393 7.899 6.083 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.222 8.514 6.756 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.442 8.535 5.423 1.00 0.00 N ATOM 0 H GLN A 12 -1.926 3.810 4.832 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.227 5.995 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.608 4.730 7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.713 6.232 7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.721 6.122 4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.383 6.056 6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.765 8.009 4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.385 9.553 5.465 1.00 0.00 H new ATOM 198 N LYS A 13 1.083 3.498 6.361 1.00 0.00 N ATOM 199 CA LYS A 13 2.366 3.035 6.871 1.00 0.00 C ATOM 200 C LYS A 13 3.348 2.764 5.728 1.00 0.00 C ATOM 201 O LYS A 13 4.546 2.860 5.961 1.00 0.00 O ATOM 202 CB LYS A 13 2.161 1.819 7.787 1.00 0.00 C ATOM 203 CG LYS A 13 3.321 1.532 8.759 1.00 0.00 C ATOM 204 CD LYS A 13 3.571 2.649 9.795 1.00 0.00 C ATOM 205 CE LYS A 13 4.692 3.592 9.341 1.00 0.00 C ATOM 206 NZ LYS A 13 4.898 4.764 10.224 1.00 0.00 N ATOM 0 H LYS A 13 0.320 2.824 6.427 1.00 0.00 H new ATOM 0 HA LYS A 13 2.817 3.822 7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.250 1.969 8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.001 0.938 7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.115 0.601 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.233 1.376 8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.654 3.218 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.834 2.205 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.623 3.028 9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.468 3.945 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.714 5.313 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.048 5.363 10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.077 4.439 11.196 1.00 0.00 H new ATOM 220 N LEU A 14 2.871 2.392 4.537 1.00 0.00 N ATOM 221 CA LEU A 14 3.712 2.183 3.357 1.00 0.00 C ATOM 222 C LEU A 14 4.237 3.510 2.822 1.00 0.00 C ATOM 223 O LEU A 14 5.406 3.603 2.492 1.00 0.00 O ATOM 224 CB LEU A 14 2.913 1.450 2.264 1.00 0.00 C ATOM 225 CG LEU A 14 3.698 1.163 0.970 1.00 0.00 C ATOM 226 CD1 LEU A 14 5.036 0.464 1.228 1.00 0.00 C ATOM 227 CD2 LEU A 14 2.817 0.264 0.092 1.00 0.00 C ATOM 0 H LEU A 14 1.880 2.226 4.364 1.00 0.00 H new ATOM 0 HA LEU A 14 4.566 1.571 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.552 0.505 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.035 2.046 2.015 1.00 0.00 H new ATOM 0 HG LEU A 14 3.931 2.112 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.543 0.288 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.660 1.095 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.859 -0.489 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.340 0.038 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.601 -0.664 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.883 0.779 -0.134 1.00 0.00 H new ATOM 239 N GLU A 15 3.371 4.509 2.730 1.00 0.00 N ATOM 240 CA GLU A 15 3.585 5.871 2.268 1.00 0.00 C ATOM 241 C GLU A 15 4.676 6.505 3.131 1.00 0.00 C ATOM 242 O GLU A 15 5.695 6.944 2.609 1.00 0.00 O ATOM 243 CB GLU A 15 2.183 6.525 2.355 1.00 0.00 C ATOM 244 CG GLU A 15 1.961 8.002 1.995 1.00 0.00 C ATOM 245 CD GLU A 15 0.466 8.393 2.124 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.229 7.875 3.039 1.00 0.00 O ATOM 247 OE2 GLU A 15 -0.017 9.216 1.311 1.00 0.00 O ATOM 0 H GLU A 15 2.399 4.369 3.007 1.00 0.00 H new ATOM 0 HA GLU A 15 3.953 5.980 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.521 5.941 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.835 6.393 3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.562 8.633 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.301 8.185 0.976 1.00 0.00 H new ATOM 254 N ASP A 16 4.502 6.451 4.452 1.00 0.00 N ATOM 255 CA ASP A 16 5.489 6.880 5.446 1.00 0.00 C ATOM 256 C ASP A 16 6.832 6.171 5.292 1.00 0.00 C ATOM 257 O ASP A 16 7.869 6.800 5.474 1.00 0.00 O ATOM 258 CB ASP A 16 4.876 6.586 6.824 1.00 0.00 C ATOM 259 CG ASP A 16 5.841 6.465 8.007 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.540 5.431 8.139 1.00 0.00 O ATOM 261 OD2 ASP A 16 5.509 7.077 9.046 1.00 0.00 O ATOM 0 H ASP A 16 3.644 6.097 4.874 1.00 0.00 H new ATOM 0 HA ASP A 16 5.705 7.940 5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.160 7.376 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.312 5.656 6.752 1.00 0.00 H new ATOM 266 N MET A 17 6.820 4.876 4.969 1.00 0.00 N ATOM 267 CA MET A 17 8.044 4.096 4.895 1.00 0.00 C ATOM 268 C MET A 17 8.785 4.310 3.585 1.00 0.00 C ATOM 269 O MET A 17 10.002 4.467 3.621 1.00 0.00 O ATOM 270 CB MET A 17 7.750 2.605 5.092 1.00 0.00 C ATOM 271 CG MET A 17 7.603 2.290 6.581 1.00 0.00 C ATOM 272 SD MET A 17 7.081 0.596 6.984 1.00 0.00 S ATOM 273 CE MET A 17 8.265 -0.403 6.039 1.00 0.00 C ATOM 0 H MET A 17 5.972 4.351 4.755 1.00 0.00 H new ATOM 0 HA MET A 17 8.690 4.445 5.701 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.836 2.334 4.563 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.555 2.008 4.664 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.558 2.481 7.070 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.881 2.984 7.010 1.00 0.00 H new ATOM 0 HE1 MET A 17 8.138 -1.455 6.293 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.089 -0.263 4.972 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.281 -0.091 6.283 1.00 0.00 H new ATOM 283 N VAL A 18 8.117 4.128 2.441 1.00 0.00 N ATOM 284 CA VAL A 18 8.766 4.289 1.149 1.00 0.00 C ATOM 285 C VAL A 18 9.257 5.738 0.990 1.00 0.00 C ATOM 286 O VAL A 18 10.295 5.969 0.377 1.00 0.00 O ATOM 287 CB VAL A 18 7.869 3.765 0.012 1.00 0.00 C ATOM 288 CG1 VAL A 18 6.788 4.738 -0.462 1.00 0.00 C ATOM 289 CG2 VAL A 18 8.712 3.207 -1.134 1.00 0.00 C ATOM 0 H VAL A 18 7.131 3.870 2.390 1.00 0.00 H new ATOM 0 HA VAL A 18 9.661 3.669 1.090 1.00 0.00 H new ATOM 0 HB VAL A 18 7.295 2.945 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.210 4.278 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.126 4.980 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.256 5.651 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.056 2.843 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.355 3.993 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.327 2.386 -0.767 1.00 0.00 H new ATOM 299 N GLY A 19 8.507 6.699 1.547 1.00 0.00 N ATOM 300 CA GLY A 19 8.829 8.111 1.512 1.00 0.00 C ATOM 301 C GLY A 19 8.462 8.734 0.157 1.00 0.00 C ATOM 302 O GLY A 19 7.661 8.170 -0.597 1.00 0.00 O ATOM 0 H GLY A 19 7.639 6.499 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.294 8.628 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.894 8.248 1.701 1.00 0.00 H new ATOM 306 N PRO A 20 8.955 9.949 -0.139 1.00 0.00 N ATOM 307 CA PRO A 20 8.677 10.630 -1.385 1.00 0.00 C ATOM 308 C PRO A 20 9.445 9.977 -2.535 1.00 0.00 C ATOM 309 O PRO A 20 10.409 9.244 -2.346 1.00 0.00 O ATOM 310 CB PRO A 20 9.120 12.079 -1.161 1.00 0.00 C ATOM 311 CG PRO A 20 10.311 11.916 -0.222 1.00 0.00 C ATOM 312 CD PRO A 20 9.897 10.725 0.643 1.00 0.00 C ATOM 0 HA PRO A 20 7.623 10.578 -1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.402 12.566 -2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.329 12.681 -0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.233 11.718 -0.768 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.480 12.811 0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.764 10.123 0.913 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.441 11.063 1.574 1.00 0.00 H new ATOM 320 N GLN A 21 9.001 10.338 -3.735 1.00 0.00 N ATOM 321 CA GLN A 21 9.476 9.900 -5.052 1.00 0.00 C ATOM 322 C GLN A 21 10.008 8.448 -5.060 1.00 0.00 C ATOM 323 O GLN A 21 11.160 8.219 -5.434 1.00 0.00 O ATOM 324 CB GLN A 21 10.510 10.921 -5.570 1.00 0.00 C ATOM 325 CG GLN A 21 9.882 12.294 -5.866 1.00 0.00 C ATOM 326 CD GLN A 21 10.916 13.390 -6.123 1.00 0.00 C ATOM 327 OE1 GLN A 21 10.767 14.504 -5.643 1.00 0.00 O ATOM 328 NE2 GLN A 21 11.966 13.125 -6.886 1.00 0.00 N ATOM 0 H GLN A 21 8.232 11.003 -3.823 1.00 0.00 H new ATOM 0 HA GLN A 21 8.628 9.874 -5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.302 11.039 -4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.975 10.534 -6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.231 12.208 -6.736 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.254 12.587 -5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.085 12.193 -7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.655 13.853 -7.076 1.00 0.00 H new ATOM 337 N PRO A 22 9.181 7.451 -4.692 1.00 0.00 N ATOM 338 CA PRO A 22 9.587 6.055 -4.715 1.00 0.00 C ATOM 339 C PRO A 22 9.531 5.508 -6.152 1.00 0.00 C ATOM 340 O PRO A 22 9.174 6.214 -7.096 1.00 0.00 O ATOM 341 CB PRO A 22 8.593 5.374 -3.786 1.00 0.00 C ATOM 342 CG PRO A 22 7.300 6.112 -4.096 1.00 0.00 C ATOM 343 CD PRO A 22 7.784 7.549 -4.284 1.00 0.00 C ATOM 0 HA PRO A 22 10.614 5.889 -4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.511 4.307 -3.991 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.879 5.477 -2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.816 5.725 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.579 6.029 -3.283 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.192 8.065 -5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.686 8.118 -3.359 1.00 0.00 H new ATOM 351 N ASN A 23 9.797 4.211 -6.318 1.00 0.00 N ATOM 352 CA ASN A 23 9.682 3.497 -7.587 1.00 0.00 C ATOM 353 C ASN A 23 9.053 2.124 -7.328 1.00 0.00 C ATOM 354 O ASN A 23 8.997 1.677 -6.182 1.00 0.00 O ATOM 355 CB ASN A 23 11.045 3.369 -8.282 1.00 0.00 C ATOM 356 CG ASN A 23 11.952 2.419 -7.522 1.00 0.00 C ATOM 357 OD1 ASN A 23 11.782 1.210 -7.600 1.00 0.00 O ATOM 358 ND2 ASN A 23 12.870 2.947 -6.734 1.00 0.00 N ATOM 0 H ASN A 23 10.107 3.614 -5.551 1.00 0.00 H new ATOM 0 HA ASN A 23 9.040 4.063 -8.262 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.906 3.008 -9.301 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.516 4.350 -8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.464 2.342 -6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.985 3.960 -6.693 1.00 0.00 H new ATOM 365 N GLU A 24 8.521 1.505 -8.385 1.00 0.00 N ATOM 366 CA GLU A 24 7.826 0.213 -8.403 1.00 0.00 C ATOM 367 C GLU A 24 8.479 -0.872 -7.536 1.00 0.00 C ATOM 368 O GLU A 24 7.763 -1.558 -6.804 1.00 0.00 O ATOM 369 CB GLU A 24 7.729 -0.219 -9.881 1.00 0.00 C ATOM 370 CG GLU A 24 7.066 -1.583 -10.194 1.00 0.00 C ATOM 371 CD GLU A 24 5.538 -1.525 -10.328 1.00 0.00 C ATOM 372 OE1 GLU A 24 5.036 -0.610 -11.029 1.00 0.00 O ATOM 373 OE2 GLU A 24 4.818 -2.376 -9.769 1.00 0.00 O ATOM 0 H GLU A 24 8.567 1.921 -9.315 1.00 0.00 H new ATOM 0 HA GLU A 24 6.841 0.338 -7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.178 0.552 -10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.739 -0.235 -10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.486 -1.974 -11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.324 -2.289 -9.404 1.00 0.00 H new ATOM 380 N ASP A 25 9.811 -0.991 -7.543 1.00 0.00 N ATOM 381 CA ASP A 25 10.500 -1.969 -6.703 1.00 0.00 C ATOM 382 C ASP A 25 10.410 -1.535 -5.256 1.00 0.00 C ATOM 383 O ASP A 25 9.894 -2.275 -4.423 1.00 0.00 O ATOM 384 CB ASP A 25 11.976 -2.167 -7.070 1.00 0.00 C ATOM 385 CG ASP A 25 12.645 -2.986 -5.958 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.401 -4.209 -5.903 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.305 -2.354 -5.099 1.00 0.00 O ATOM 0 H ASP A 25 10.430 -0.422 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 25 10.001 -2.924 -6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.063 -2.683 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.472 -1.203 -7.182 1.00 0.00 H new ATOM 392 N THR A 26 10.863 -0.321 -4.953 1.00 0.00 N ATOM 393 CA THR A 26 10.949 0.152 -3.585 1.00 0.00 C ATOM 394 C THR A 26 9.566 0.114 -2.915 1.00 0.00 C ATOM 395 O THR A 26 9.478 -0.249 -1.744 1.00 0.00 O ATOM 396 CB THR A 26 11.654 1.514 -3.572 1.00 0.00 C ATOM 397 OG1 THR A 26 12.838 1.410 -4.350 1.00 0.00 O ATOM 398 CG2 THR A 26 12.114 1.925 -2.171 1.00 0.00 C ATOM 0 H THR A 26 11.178 0.355 -5.649 1.00 0.00 H new ATOM 0 HA THR A 26 11.563 -0.508 -2.972 1.00 0.00 H new ATOM 0 HB THR A 26 10.941 2.246 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.453 2.134 -4.108 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.606 2.896 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.251 1.989 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.813 1.183 -1.785 1.00 0.00 H new ATOM 406 N VAL A 27 8.476 0.390 -3.641 1.00 0.00 N ATOM 407 CA VAL A 27 7.121 0.242 -3.109 1.00 0.00 C ATOM 408 C VAL A 27 6.852 -1.243 -2.822 1.00 0.00 C ATOM 409 O VAL A 27 6.349 -1.568 -1.745 1.00 0.00 O ATOM 410 CB VAL A 27 6.073 0.851 -4.075 1.00 0.00 C ATOM 411 CG1 VAL A 27 4.635 0.667 -3.558 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.268 2.362 -4.277 1.00 0.00 C ATOM 0 H VAL A 27 8.510 0.719 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 27 7.034 0.795 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 27 6.222 0.317 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.934 1.109 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.420 -0.396 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.531 1.158 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.508 2.739 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.177 2.872 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.257 2.549 -4.694 1.00 0.00 H new ATOM 422 N THR A 28 7.177 -2.145 -3.750 1.00 0.00 N ATOM 423 CA THR A 28 7.002 -3.586 -3.598 1.00 0.00 C ATOM 424 C THR A 28 7.755 -4.113 -2.369 1.00 0.00 C ATOM 425 O THR A 28 7.142 -4.773 -1.517 1.00 0.00 O ATOM 426 CB THR A 28 7.417 -4.294 -4.902 1.00 0.00 C ATOM 427 OG1 THR A 28 6.621 -3.801 -5.958 1.00 0.00 O ATOM 428 CG2 THR A 28 7.203 -5.809 -4.837 1.00 0.00 C ATOM 0 H THR A 28 7.579 -1.884 -4.650 1.00 0.00 H new ATOM 0 HA THR A 28 5.950 -3.807 -3.419 1.00 0.00 H new ATOM 0 HB THR A 28 8.478 -4.097 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.081 -3.053 -6.393 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.511 -6.261 -5.780 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.797 -6.226 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.148 -6.020 -4.661 1.00 0.00 H new ATOM 436 N GLN A 29 9.054 -3.823 -2.236 1.00 0.00 N ATOM 437 CA GLN A 29 9.836 -4.337 -1.120 1.00 0.00 C ATOM 438 C GLN A 29 9.367 -3.674 0.175 1.00 0.00 C ATOM 439 O GLN A 29 9.025 -4.404 1.112 1.00 0.00 O ATOM 440 CB GLN A 29 11.358 -4.236 -1.339 1.00 0.00 C ATOM 441 CG GLN A 29 11.910 -2.873 -1.773 1.00 0.00 C ATOM 442 CD GLN A 29 13.406 -2.753 -1.496 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.820 -2.719 -0.343 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.235 -2.662 -2.520 1.00 0.00 N ATOM 0 H GLN A 29 9.578 -3.238 -2.886 1.00 0.00 H new ATOM 0 HA GLN A 29 9.655 -5.409 -1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.853 -4.522 -0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.641 -4.972 -2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.725 -2.728 -2.837 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.378 -2.081 -1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.873 -2.692 -3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.237 -2.562 -2.358 1.00 0.00 H new ATOM 453 N ALA A 30 9.214 -2.340 0.213 1.00 0.00 N ATOM 454 CA ALA A 30 8.777 -1.636 1.412 1.00 0.00 C ATOM 455 C ALA A 30 7.436 -2.187 1.883 1.00 0.00 C ATOM 456 O ALA A 30 7.247 -2.360 3.083 1.00 0.00 O ATOM 457 CB ALA A 30 8.695 -0.123 1.183 1.00 0.00 C ATOM 0 H ALA A 30 9.390 -1.730 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 30 9.521 -1.804 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.366 0.366 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.677 0.256 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.983 0.086 0.384 1.00 0.00 H new ATOM 463 N ALA A 31 6.522 -2.518 0.967 1.00 0.00 N ATOM 464 CA ALA A 31 5.254 -3.168 1.256 1.00 0.00 C ATOM 465 C ALA A 31 5.477 -4.569 1.834 1.00 0.00 C ATOM 466 O ALA A 31 4.799 -4.963 2.785 1.00 0.00 O ATOM 467 CB ALA A 31 4.355 -3.222 0.018 1.00 0.00 C ATOM 0 H ALA A 31 6.655 -2.332 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 31 4.741 -2.568 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.416 -3.714 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.151 -2.209 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.857 -3.781 -0.772 1.00 0.00 H new ATOM 473 N SER A 32 6.328 -5.406 1.237 1.00 0.00 N ATOM 474 CA SER A 32 6.567 -6.738 1.788 1.00 0.00 C ATOM 475 C SER A 32 6.939 -6.675 3.281 1.00 0.00 C ATOM 476 O SER A 32 6.491 -7.550 4.042 1.00 0.00 O ATOM 477 CB SER A 32 7.573 -7.499 0.912 1.00 0.00 C ATOM 478 OG SER A 32 8.912 -7.155 1.172 1.00 0.00 O ATOM 0 H SER A 32 6.853 -5.190 0.389 1.00 0.00 H new ATOM 0 HA SER A 32 5.642 -7.314 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.444 -8.570 1.069 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.352 -7.302 -0.137 1.00 0.00 H new ATOM 0 HG SER A 32 8.989 -6.182 1.255 1.00 0.00 H new ATOM 484 N GLN A 33 7.605 -5.596 3.717 1.00 0.00 N ATOM 485 CA GLN A 33 7.909 -5.324 5.115 1.00 0.00 C ATOM 486 C GLN A 33 6.775 -4.538 5.774 1.00 0.00 C ATOM 487 O GLN A 33 6.567 -4.748 6.966 1.00 0.00 O ATOM 488 CB GLN A 33 9.244 -4.570 5.272 1.00 0.00 C ATOM 489 CG GLN A 33 10.481 -5.482 5.211 1.00 0.00 C ATOM 490 CD GLN A 33 10.579 -6.236 3.893 1.00 0.00 C ATOM 491 OE1 GLN A 33 10.947 -5.674 2.880 1.00 0.00 O ATOM 492 NE2 GLN A 33 10.177 -7.498 3.858 1.00 0.00 N ATOM 0 H GLN A 33 7.953 -4.875 3.085 1.00 0.00 H new ATOM 0 HA GLN A 33 8.008 -6.286 5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.320 -3.817 4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.241 -4.039 6.224 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.380 -4.881 5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.444 -6.196 6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.870 -7.959 4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.174 -8.008 2.975 1.00 0.00 H new ATOM 501 N VAL A 34 6.009 -3.696 5.064 1.00 0.00 N ATOM 502 CA VAL A 34 4.952 -2.877 5.664 1.00 0.00 C ATOM 503 C VAL A 34 3.955 -3.862 6.265 1.00 0.00 C ATOM 504 O VAL A 34 3.464 -3.660 7.368 1.00 0.00 O ATOM 505 CB VAL A 34 4.206 -1.935 4.682 1.00 0.00 C ATOM 506 CG1 VAL A 34 3.051 -2.459 3.801 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.676 -0.726 5.416 1.00 0.00 C ATOM 0 H VAL A 34 6.107 -3.566 4.057 1.00 0.00 H new ATOM 0 HA VAL A 34 5.415 -2.208 6.389 1.00 0.00 H new ATOM 0 HB VAL A 34 5.009 -1.745 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.664 -1.646 3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.419 -3.257 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.254 -2.844 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.155 -0.074 4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.985 -1.047 6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.505 -0.183 5.869 1.00 0.00 H new ATOM 517 N CYS A 35 3.705 -4.964 5.553 1.00 0.00 N ATOM 518 CA CYS A 35 2.831 -6.027 5.974 1.00 0.00 C ATOM 519 C CYS A 35 3.441 -6.771 7.153 1.00 0.00 C ATOM 520 O CYS A 35 2.695 -7.150 8.051 1.00 0.00 O ATOM 521 CB CYS A 35 2.564 -6.992 4.826 1.00 0.00 C ATOM 522 SG CYS A 35 1.864 -6.311 3.296 1.00 0.00 S ATOM 0 H CYS A 35 4.126 -5.132 4.640 1.00 0.00 H new ATOM 0 HA CYS A 35 1.882 -5.590 6.283 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.504 -7.483 4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.887 -7.766 5.189 1.00 0.00 H new ATOM 527 N ASP A 36 4.722 -7.173 7.094 1.00 0.00 N ATOM 528 CA ASP A 36 5.327 -7.758 8.302 1.00 0.00 C ATOM 529 C ASP A 36 5.151 -6.876 9.548 1.00 0.00 C ATOM 530 O ASP A 36 4.665 -7.326 10.590 1.00 0.00 O ATOM 531 CB ASP A 36 6.808 -8.135 8.162 1.00 0.00 C ATOM 532 CG ASP A 36 7.160 -9.152 9.262 1.00 0.00 C ATOM 533 OD1 ASP A 36 6.969 -8.885 10.476 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.312 -10.333 8.897 1.00 0.00 O ATOM 0 H ASP A 36 5.328 -7.110 6.276 1.00 0.00 H new ATOM 0 HA ASP A 36 4.766 -8.684 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.999 -8.561 7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.435 -7.248 8.252 1.00 0.00 H new ATOM 539 N LYS A 37 5.395 -5.574 9.391 1.00 0.00 N ATOM 540 CA LYS A 37 5.434 -4.577 10.456 1.00 0.00 C ATOM 541 C LYS A 37 4.015 -4.313 10.935 1.00 0.00 C ATOM 542 O LYS A 37 3.802 -4.291 12.146 1.00 0.00 O ATOM 543 CB LYS A 37 6.112 -3.338 9.837 1.00 0.00 C ATOM 544 CG LYS A 37 6.641 -2.241 10.776 1.00 0.00 C ATOM 545 CD LYS A 37 7.342 -1.190 9.889 1.00 0.00 C ATOM 546 CE LYS A 37 8.038 -0.043 10.639 1.00 0.00 C ATOM 547 NZ LYS A 37 8.805 0.848 9.725 1.00 0.00 N ATOM 0 H LYS A 37 5.579 -5.169 8.473 1.00 0.00 H new ATOM 0 HA LYS A 37 5.995 -4.894 11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.948 -3.687 9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.397 -2.875 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.825 -1.788 11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.337 -2.658 11.504 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.083 -1.698 9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.603 -0.761 9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.291 0.545 11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.712 -0.458 11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.837 1.809 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.774 0.485 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.341 0.873 8.795 1.00 0.00 H new ATOM 561 N LEU A 38 3.041 -4.185 10.035 1.00 0.00 N ATOM 562 CA LEU A 38 1.638 -4.078 10.392 1.00 0.00 C ATOM 563 C LEU A 38 1.206 -5.521 10.653 1.00 0.00 C ATOM 564 O LEU A 38 0.508 -6.136 9.840 1.00 0.00 O ATOM 565 CB LEU A 38 0.803 -3.463 9.251 1.00 0.00 C ATOM 566 CG LEU A 38 1.023 -1.965 8.984 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.231 -1.588 7.730 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.547 -1.093 10.153 1.00 0.00 C ATOM 0 H LEU A 38 3.211 -4.153 9.030 1.00 0.00 H new ATOM 0 HA LEU A 38 1.488 -3.425 11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.020 -4.010 8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.252 -3.620 9.475 1.00 0.00 H new ATOM 0 HG LEU A 38 2.091 -1.789 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.370 -0.528 7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.586 -2.177 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.828 -1.790 7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.723 -0.043 9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.518 -1.255 10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.098 -1.361 11.055 1.00 0.00 H new ATOM 580 N LYS A 39 1.550 -6.054 11.829 1.00 0.00 N ATOM 581 CA LYS A 39 1.147 -7.407 12.189 1.00 0.00 C ATOM 582 C LYS A 39 -0.320 -7.365 12.622 1.00 0.00 C ATOM 583 O LYS A 39 -0.876 -6.282 12.788 1.00 0.00 O ATOM 584 CB LYS A 39 2.242 -8.194 12.941 1.00 0.00 C ATOM 585 CG LYS A 39 2.940 -7.492 14.118 1.00 0.00 C ATOM 586 CD LYS A 39 4.110 -8.310 14.718 1.00 0.00 C ATOM 587 CE LYS A 39 5.151 -8.925 13.747 1.00 0.00 C ATOM 588 NZ LYS A 39 5.909 -7.950 12.923 1.00 0.00 N ATOM 0 H LYS A 39 2.101 -5.571 12.538 1.00 0.00 H new ATOM 0 HA LYS A 39 1.104 -8.114 11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.797 -9.116 13.315 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.007 -8.480 12.219 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.317 -6.526 13.783 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.207 -7.294 14.900 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.645 -7.664 15.413 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.681 -9.123 15.304 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.861 -9.513 14.328 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.636 -9.616 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.623 -8.453 12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.255 -7.450 12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.380 -7.262 13.545 1.00 0.00 H new ATOM 602 N ILE A 40 -0.975 -8.530 12.687 1.00 0.00 N ATOM 603 CA ILE A 40 -2.419 -8.727 12.925 1.00 0.00 C ATOM 604 C ILE A 40 -3.033 -8.486 11.534 1.00 0.00 C ATOM 605 O ILE A 40 -3.527 -9.416 10.902 1.00 0.00 O ATOM 606 CB ILE A 40 -3.073 -7.857 14.041 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.438 -8.194 15.409 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.605 -8.057 14.060 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.865 -7.247 16.536 1.00 0.00 C ATOM 0 H ILE A 40 -0.486 -9.417 12.568 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.606 -9.720 13.334 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.886 -6.804 13.830 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.706 -9.214 15.683 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.353 -8.164 15.313 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.043 -7.441 14.846 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.022 -7.766 13.096 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.833 -9.106 14.252 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.380 -7.545 17.465 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.572 -6.227 16.285 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.947 -7.294 16.660 1.00 0.00 H new ATOM 621 N LEU A 41 -2.804 -7.309 10.943 1.00 0.00 N ATOM 622 CA LEU A 41 -3.297 -6.909 9.622 1.00 0.00 C ATOM 623 C LEU A 41 -2.379 -7.439 8.494 1.00 0.00 C ATOM 624 O LEU A 41 -2.580 -7.161 7.309 1.00 0.00 O ATOM 625 CB LEU A 41 -3.396 -5.370 9.643 1.00 0.00 C ATOM 626 CG LEU A 41 -4.247 -4.726 8.534 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.694 -5.236 8.525 1.00 0.00 C ATOM 628 CD2 LEU A 41 -4.274 -3.206 8.747 1.00 0.00 C ATOM 0 H LEU A 41 -2.248 -6.580 11.390 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.275 -7.341 9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.804 -5.067 10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.387 -4.961 9.581 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.791 -4.993 7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.247 -4.748 7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.699 -6.314 8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.166 -5.009 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.875 -2.740 7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.709 -2.983 9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.258 -2.815 8.705 1.00 0.00 H new ATOM 640 N ARG A 42 -1.447 -8.328 8.858 1.00 0.00 N ATOM 641 CA ARG A 42 -0.406 -8.970 8.054 1.00 0.00 C ATOM 642 C ARG A 42 -1.044 -9.732 6.902 1.00 0.00 C ATOM 643 O ARG A 42 -0.605 -9.596 5.758 1.00 0.00 O ATOM 644 CB ARG A 42 0.325 -9.932 9.017 1.00 0.00 C ATOM 645 CG ARG A 42 1.588 -10.647 8.516 1.00 0.00 C ATOM 646 CD ARG A 42 2.052 -11.601 9.637 1.00 0.00 C ATOM 647 NE ARG A 42 3.354 -12.238 9.369 1.00 0.00 N ATOM 648 CZ ARG A 42 4.559 -11.724 9.661 1.00 0.00 C ATOM 649 NH1 ARG A 42 4.666 -10.521 10.222 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.659 -12.403 9.371 1.00 0.00 N ATOM 0 H ARG A 42 -1.401 -8.647 9.826 1.00 0.00 H new ATOM 0 HA ARG A 42 0.286 -8.250 7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.595 -9.367 9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.388 -10.696 9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.378 -11.202 7.602 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.369 -9.925 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.115 -11.045 10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.299 -12.377 9.777 1.00 0.00 H new ATOM 0 HE ARG A 42 3.338 -13.154 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.827 -9.981 10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.587 -10.140 10.440 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.591 -13.318 8.925 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.574 -12.011 9.594 1.00 0.00 H new ATOM 664 N GLY A 43 -2.070 -10.529 7.212 1.00 0.00 N ATOM 665 CA GLY A 43 -2.809 -11.312 6.240 1.00 0.00 C ATOM 666 C GLY A 43 -3.478 -10.425 5.199 1.00 0.00 C ATOM 667 O GLY A 43 -3.387 -10.721 4.007 1.00 0.00 O ATOM 0 H GLY A 43 -2.410 -10.645 8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.134 -12.010 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.565 -11.908 6.751 1.00 0.00 H new ATOM 671 N LEU A 44 -4.151 -9.347 5.632 1.00 0.00 N ATOM 672 CA LEU A 44 -4.915 -8.511 4.720 1.00 0.00 C ATOM 673 C LEU A 44 -3.940 -7.823 3.779 1.00 0.00 C ATOM 674 O LEU A 44 -4.070 -7.974 2.573 1.00 0.00 O ATOM 675 CB LEU A 44 -5.798 -7.497 5.470 1.00 0.00 C ATOM 676 CG LEU A 44 -6.930 -6.978 4.557 1.00 0.00 C ATOM 677 CD1 LEU A 44 -8.087 -7.984 4.493 1.00 0.00 C ATOM 678 CD2 LEU A 44 -7.476 -5.642 5.059 1.00 0.00 C ATOM 0 H LEU A 44 -4.176 -9.043 6.605 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.603 -9.132 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.225 -7.965 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.189 -6.661 5.813 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.502 -6.845 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.872 -7.595 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.724 -8.932 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.489 -8.141 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.272 -5.302 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.872 -5.766 6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.674 -4.903 5.073 1.00 0.00 H new ATOM 690 N CYS A 45 -2.932 -7.141 4.329 1.00 0.00 N ATOM 691 CA CYS A 45 -1.872 -6.484 3.587 1.00 0.00 C ATOM 692 C CYS A 45 -1.268 -7.410 2.527 1.00 0.00 C ATOM 693 O CYS A 45 -1.301 -7.079 1.345 1.00 0.00 O ATOM 694 CB CYS A 45 -0.856 -5.957 4.604 1.00 0.00 C ATOM 695 SG CYS A 45 0.490 -4.958 3.935 1.00 0.00 S ATOM 0 H CYS A 45 -2.835 -7.032 5.339 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.259 -5.641 3.015 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.389 -5.362 5.345 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.423 -6.808 5.130 1.00 0.00 H new ATOM 700 N LYS A 46 -0.757 -8.590 2.899 1.00 0.00 N ATOM 701 CA LYS A 46 -0.138 -9.476 1.906 1.00 0.00 C ATOM 702 C LYS A 46 -1.142 -9.910 0.831 1.00 0.00 C ATOM 703 O LYS A 46 -0.762 -9.973 -0.339 1.00 0.00 O ATOM 704 CB LYS A 46 0.639 -10.629 2.570 1.00 0.00 C ATOM 705 CG LYS A 46 1.940 -10.053 3.164 1.00 0.00 C ATOM 706 CD LYS A 46 2.796 -11.025 3.987 1.00 0.00 C ATOM 707 CE LYS A 46 4.064 -10.352 4.565 1.00 0.00 C ATOM 708 NZ LYS A 46 5.037 -9.897 3.538 1.00 0.00 N ATOM 0 H LYS A 46 -0.758 -8.947 3.855 1.00 0.00 H new ATOM 0 HA LYS A 46 0.621 -8.909 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.037 -11.093 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.866 -11.405 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.549 -9.668 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.682 -9.204 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.198 -11.429 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.089 -11.867 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.763 -9.496 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.561 -11.055 5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.418 -8.968 3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.815 -10.583 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.560 -9.821 2.617 1.00 0.00 H new ATOM 722 N LYS A 47 -2.406 -10.188 1.178 1.00 0.00 N ATOM 723 CA LYS A 47 -3.430 -10.486 0.172 1.00 0.00 C ATOM 724 C LYS A 47 -3.642 -9.285 -0.760 1.00 0.00 C ATOM 725 O LYS A 47 -3.643 -9.491 -1.970 1.00 0.00 O ATOM 726 CB LYS A 47 -4.734 -10.955 0.846 1.00 0.00 C ATOM 727 CG LYS A 47 -5.800 -11.392 -0.180 1.00 0.00 C ATOM 728 CD LYS A 47 -7.109 -11.871 0.474 1.00 0.00 C ATOM 729 CE LYS A 47 -7.053 -13.305 1.032 1.00 0.00 C ATOM 730 NZ LYS A 47 -7.167 -14.345 -0.022 1.00 0.00 N ATOM 0 H LYS A 47 -2.741 -10.212 2.141 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.084 -11.310 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.515 -11.787 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.133 -10.148 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.018 -10.557 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.395 -12.194 -0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.367 -11.189 1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.911 -11.811 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.115 -13.443 1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.858 -13.439 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.123 -15.288 0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.073 -14.236 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.385 -14.240 -0.699 1.00 0.00 H new ATOM 744 N ILE A 48 -3.826 -8.072 -0.225 1.00 0.00 N ATOM 745 CA ILE A 48 -4.061 -6.831 -0.972 1.00 0.00 C ATOM 746 C ILE A 48 -2.925 -6.663 -1.981 1.00 0.00 C ATOM 747 O ILE A 48 -3.186 -6.558 -3.178 1.00 0.00 O ATOM 748 CB ILE A 48 -4.176 -5.625 0.003 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.412 -5.726 0.936 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.121 -4.258 -0.709 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.691 -5.012 0.492 1.00 0.00 C ATOM 0 H ILE A 48 -3.815 -7.922 0.784 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.006 -6.876 -1.514 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.288 -5.684 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.646 -6.782 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.129 -5.334 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.207 -3.460 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.174 -4.162 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.944 -4.185 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.471 -5.166 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.495 -3.945 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.019 -5.415 -0.466 1.00 0.00 H new ATOM 763 N MET A 49 -1.678 -6.697 -1.505 1.00 0.00 N ATOM 764 CA MET A 49 -0.485 -6.529 -2.316 1.00 0.00 C ATOM 765 C MET A 49 -0.430 -7.592 -3.405 1.00 0.00 C ATOM 766 O MET A 49 -0.266 -7.216 -4.554 1.00 0.00 O ATOM 767 CB MET A 49 0.762 -6.543 -1.419 1.00 0.00 C ATOM 768 CG MET A 49 1.035 -5.189 -0.745 1.00 0.00 C ATOM 769 SD MET A 49 -0.332 -4.317 0.077 1.00 0.00 S ATOM 770 CE MET A 49 0.470 -2.718 0.366 1.00 0.00 C ATOM 0 H MET A 49 -1.472 -6.847 -0.517 1.00 0.00 H new ATOM 0 HA MET A 49 -0.516 -5.562 -2.818 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.641 -7.307 -0.651 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.629 -6.826 -2.016 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.819 -5.344 -0.003 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.442 -4.521 -1.504 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.286 -1.934 0.405 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.011 -2.748 1.312 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.168 -2.509 -0.445 1.00 0.00 H new ATOM 780 N ARG A 50 -0.607 -8.893 -3.126 1.00 0.00 N ATOM 781 CA ARG A 50 -0.542 -9.878 -4.219 1.00 0.00 C ATOM 782 C ARG A 50 -1.644 -9.554 -5.233 1.00 0.00 C ATOM 783 O ARG A 50 -1.382 -9.545 -6.437 1.00 0.00 O ATOM 784 CB ARG A 50 -0.619 -11.323 -3.677 1.00 0.00 C ATOM 785 CG ARG A 50 -0.059 -12.431 -4.607 1.00 0.00 C ATOM 786 CD ARG A 50 -0.997 -13.096 -5.637 1.00 0.00 C ATOM 787 NE ARG A 50 -1.295 -12.218 -6.775 1.00 0.00 N ATOM 788 CZ ARG A 50 -2.013 -12.461 -7.876 1.00 0.00 C ATOM 789 NH1 ARG A 50 -2.370 -13.702 -8.204 1.00 0.00 N ATOM 790 NH2 ARG A 50 -2.374 -11.425 -8.628 1.00 0.00 N ATOM 0 H ARG A 50 -0.788 -9.276 -2.198 1.00 0.00 H new ATOM 0 HA ARG A 50 0.419 -9.813 -4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.079 -11.364 -2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.662 -11.553 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.781 -12.005 -5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.343 -13.220 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.538 -14.015 -6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.928 -13.378 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.894 -11.282 -6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.095 -14.485 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.918 -13.869 -9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.102 -10.480 -8.358 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.922 -11.576 -9.475 1.00 0.00 H new ATOM 804 N SER A 51 -2.865 -9.316 -4.761 1.00 0.00 N ATOM 805 CA SER A 51 -4.037 -9.116 -5.595 1.00 0.00 C ATOM 806 C SER A 51 -3.857 -7.928 -6.544 1.00 0.00 C ATOM 807 O SER A 51 -4.040 -8.087 -7.750 1.00 0.00 O ATOM 808 CB SER A 51 -5.256 -8.930 -4.673 1.00 0.00 C ATOM 809 OG SER A 51 -6.481 -9.059 -5.361 1.00 0.00 O ATOM 0 H SER A 51 -3.067 -9.256 -3.763 1.00 0.00 H new ATOM 0 HA SER A 51 -4.190 -9.988 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.215 -9.666 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.207 -7.946 -4.206 1.00 0.00 H new ATOM 0 HG SER A 51 -6.838 -8.169 -5.563 1.00 0.00 H new ATOM 815 N PHE A 52 -3.440 -6.771 -6.028 1.00 0.00 N ATOM 816 CA PHE A 52 -3.356 -5.520 -6.772 1.00 0.00 C ATOM 817 C PHE A 52 -1.950 -4.924 -6.671 1.00 0.00 C ATOM 818 O PHE A 52 -1.812 -3.720 -6.467 1.00 0.00 O ATOM 819 CB PHE A 52 -4.434 -4.572 -6.199 1.00 0.00 C ATOM 820 CG PHE A 52 -5.785 -5.199 -5.890 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.546 -5.787 -6.919 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.286 -5.187 -4.573 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.806 -6.342 -6.636 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.548 -5.739 -4.291 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.312 -6.307 -5.325 1.00 0.00 C ATOM 0 H PHE A 52 -3.145 -6.679 -5.056 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.540 -5.682 -7.834 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.046 -4.126 -5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.588 -3.759 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.161 -5.811 -7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.699 -4.752 -3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.386 -6.796 -7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.930 -5.727 -3.281 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.288 -6.717 -5.112 1.00 0.00 H new ATOM 835 N LEU A 53 -0.909 -5.715 -6.945 1.00 0.00 N ATOM 836 CA LEU A 53 0.480 -5.299 -6.738 1.00 0.00 C ATOM 837 C LEU A 53 0.807 -4.036 -7.534 1.00 0.00 C ATOM 838 O LEU A 53 0.998 -2.976 -6.935 1.00 0.00 O ATOM 839 CB LEU A 53 1.431 -6.469 -7.082 1.00 0.00 C ATOM 840 CG LEU A 53 2.841 -6.396 -6.450 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.473 -5.007 -6.429 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.827 -6.917 -5.006 1.00 0.00 C ATOM 0 H LEU A 53 -1.005 -6.660 -7.316 1.00 0.00 H new ATOM 0 HA LEU A 53 0.622 -5.045 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.960 -7.400 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.541 -6.517 -8.165 1.00 0.00 H new ATOM 0 HG LEU A 53 3.448 -7.023 -7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.458 -5.063 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.571 -4.637 -7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.841 -4.328 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.831 -6.854 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.145 -6.312 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.495 -7.955 -4.997 1.00 0.00 H new ATOM 854 N ARG A 54 0.806 -4.099 -8.871 1.00 0.00 N ATOM 855 CA ARG A 54 1.243 -2.940 -9.649 1.00 0.00 C ATOM 856 C ARG A 54 0.244 -1.781 -9.510 1.00 0.00 C ATOM 857 O ARG A 54 0.569 -0.654 -9.877 1.00 0.00 O ATOM 858 CB ARG A 54 1.495 -3.309 -11.123 1.00 0.00 C ATOM 859 CG ARG A 54 2.440 -2.282 -11.790 1.00 0.00 C ATOM 860 CD ARG A 54 2.005 -1.670 -13.129 1.00 0.00 C ATOM 861 NE ARG A 54 2.835 -2.110 -14.270 1.00 0.00 N ATOM 862 CZ ARG A 54 4.092 -1.717 -14.543 1.00 0.00 C ATOM 863 NH1 ARG A 54 4.811 -0.995 -13.689 1.00 0.00 N ATOM 864 NH2 ARG A 54 4.638 -2.053 -15.711 1.00 0.00 N ATOM 0 H ARG A 54 0.518 -4.910 -9.418 1.00 0.00 H new ATOM 0 HA ARG A 54 2.197 -2.603 -9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.932 -4.306 -11.184 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.548 -3.343 -11.662 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.598 -1.466 -11.085 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.406 -2.765 -11.941 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.965 -1.935 -13.321 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.048 -0.583 -13.055 1.00 0.00 H new ATOM 0 HE ARG A 54 2.413 -2.778 -14.915 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.412 -0.721 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.762 -0.716 -13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.104 -2.601 -16.385 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.590 -1.762 -15.931 1.00 0.00 H new ATOM 878 N ARG A 55 -0.987 -2.011 -9.012 1.00 0.00 N ATOM 879 CA ARG A 55 -1.889 -0.914 -8.745 1.00 0.00 C ATOM 880 C ARG A 55 -1.266 -0.124 -7.578 1.00 0.00 C ATOM 881 O ARG A 55 -1.068 1.078 -7.713 1.00 0.00 O ATOM 882 CB ARG A 55 -3.320 -1.385 -8.416 1.00 0.00 C ATOM 883 CG ARG A 55 -4.273 -1.789 -9.569 1.00 0.00 C ATOM 884 CD ARG A 55 -4.912 -0.678 -10.447 1.00 0.00 C ATOM 885 NE ARG A 55 -6.338 -0.394 -10.123 1.00 0.00 N ATOM 886 CZ ARG A 55 -7.042 0.737 -10.359 1.00 0.00 C ATOM 887 NH1 ARG A 55 -6.517 1.785 -10.976 1.00 0.00 N ATOM 888 NH2 ARG A 55 -8.298 0.860 -9.947 1.00 0.00 N ATOM 0 H ARG A 55 -1.359 -2.936 -8.795 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.002 -0.291 -9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.237 -2.241 -7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.806 -0.587 -7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.722 -2.455 -10.232 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.085 -2.372 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.334 0.239 -10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.840 -0.971 -11.495 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.849 -1.149 -9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.548 1.758 -11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.082 2.619 -11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.747 0.095 -9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.814 1.720 -10.134 1.00 0.00 H new ATOM 902 N ILE A 56 -0.900 -0.764 -6.462 1.00 0.00 N ATOM 903 CA ILE A 56 -0.342 -0.030 -5.319 1.00 0.00 C ATOM 904 C ILE A 56 0.923 0.737 -5.743 1.00 0.00 C ATOM 905 O ILE A 56 1.168 1.818 -5.209 1.00 0.00 O ATOM 906 CB ILE A 56 -0.159 -0.940 -4.083 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.450 -1.714 -3.713 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.282 -0.116 -2.858 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.766 -0.938 -3.891 1.00 0.00 C ATOM 0 H ILE A 56 -0.978 -1.772 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.058 0.724 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 56 0.611 -1.663 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.497 -2.617 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.375 -2.033 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.405 -0.777 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.229 0.378 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.476 0.635 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.604 -1.573 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.752 -0.049 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.876 -0.642 -4.934 1.00 0.00 H new ATOM 921 N SER A 57 1.657 0.252 -6.753 1.00 0.00 N ATOM 922 CA SER A 57 2.782 0.986 -7.303 1.00 0.00 C ATOM 923 C SER A 57 2.248 2.226 -8.029 1.00 0.00 C ATOM 924 O SER A 57 2.531 3.321 -7.555 1.00 0.00 O ATOM 925 CB SER A 57 3.588 0.085 -8.237 1.00 0.00 C ATOM 926 OG SER A 57 4.538 0.852 -8.934 1.00 0.00 O ATOM 0 H SER A 57 1.484 -0.648 -7.200 1.00 0.00 H new ATOM 0 HA SER A 57 3.453 1.309 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.087 -0.696 -7.663 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.922 -0.414 -8.941 1.00 0.00 H new ATOM 0 HG SER A 57 4.530 0.600 -9.881 1.00 0.00 H new ATOM 932 N TRP A 58 1.416 2.102 -9.083 1.00 0.00 N ATOM 933 CA TRP A 58 0.852 3.249 -9.821 1.00 0.00 C ATOM 934 C TRP A 58 0.335 4.307 -8.853 1.00 0.00 C ATOM 935 O TRP A 58 0.604 5.495 -9.028 1.00 0.00 O ATOM 936 CB TRP A 58 -0.251 2.838 -10.826 1.00 0.00 C ATOM 937 CG TRP A 58 -1.508 3.682 -10.828 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.660 4.933 -11.326 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.770 3.401 -10.159 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.927 5.410 -11.035 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.646 4.514 -10.271 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.239 2.321 -9.406 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.911 4.525 -9.650 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.472 2.318 -8.768 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.313 3.421 -8.869 1.00 0.00 C ATOM 0 H TRP A 58 1.115 1.198 -9.448 1.00 0.00 H new ATOM 0 HA TRP A 58 1.665 3.672 -10.411 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.176 2.858 -11.829 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.533 1.805 -10.620 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.903 5.478 -11.870 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.285 6.313 -11.347 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.612 1.446 -9.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.569 5.373 -9.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.779 1.457 -8.192 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.263 3.432 -8.355 1.00 0.00 H new ATOM 956 N ASP A 59 -0.449 3.875 -7.870 1.00 0.00 N ATOM 957 CA ASP A 59 -1.020 4.740 -6.862 1.00 0.00 C ATOM 958 C ASP A 59 0.025 5.623 -6.199 1.00 0.00 C ATOM 959 O ASP A 59 -0.081 6.846 -6.223 1.00 0.00 O ATOM 960 CB ASP A 59 -1.642 3.847 -5.779 1.00 0.00 C ATOM 961 CG ASP A 59 -3.015 3.337 -6.148 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.278 2.121 -6.035 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.978 4.197 -6.556 1.00 0.00 O ATOM 0 H ASP A 59 -0.706 2.894 -7.756 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.753 5.388 -7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.983 2.998 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.708 4.409 -4.847 1.00 0.00 H new ATOM 969 N ILE A 60 0.983 4.988 -5.537 1.00 0.00 N ATOM 970 CA ILE A 60 2.077 5.623 -4.833 1.00 0.00 C ATOM 971 C ILE A 60 2.993 6.438 -5.765 1.00 0.00 C ATOM 972 O ILE A 60 3.363 7.555 -5.416 1.00 0.00 O ATOM 973 CB ILE A 60 2.657 4.606 -3.826 1.00 0.00 C ATOM 974 CG1 ILE A 60 1.513 4.271 -2.821 1.00 0.00 C ATOM 975 CG2 ILE A 60 3.867 5.179 -3.091 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.841 3.281 -1.710 1.00 0.00 C ATOM 0 H ILE A 60 1.015 3.970 -5.477 1.00 0.00 H new ATOM 0 HA ILE A 60 1.765 6.449 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 60 3.003 3.711 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.183 5.202 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.668 3.879 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.251 4.438 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.644 5.433 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.571 6.075 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.962 3.135 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.136 2.328 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.659 3.671 -1.105 1.00 0.00 H new ATOM 988 N LEU A 61 3.305 5.928 -6.964 1.00 0.00 N ATOM 989 CA LEU A 61 4.062 6.626 -8.011 1.00 0.00 C ATOM 990 C LEU A 61 3.370 7.943 -8.377 1.00 0.00 C ATOM 991 O LEU A 61 4.019 8.979 -8.458 1.00 0.00 O ATOM 992 CB LEU A 61 4.187 5.772 -9.292 1.00 0.00 C ATOM 993 CG LEU A 61 5.073 4.511 -9.231 1.00 0.00 C ATOM 994 CD1 LEU A 61 4.893 3.710 -10.528 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.561 4.815 -9.076 1.00 0.00 C ATOM 0 H LEU A 61 3.028 4.986 -7.241 1.00 0.00 H new ATOM 0 HA LEU A 61 5.058 6.816 -7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.184 5.463 -9.588 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.570 6.413 -10.086 1.00 0.00 H new ATOM 0 HG LEU A 61 4.755 3.954 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.516 2.816 -10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.848 3.420 -10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.187 4.324 -11.379 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.121 3.881 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.901 5.410 -9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.724 5.372 -8.153 1.00 0.00 H new ATOM 1007 N THR A 62 2.049 7.922 -8.581 1.00 0.00 N ATOM 1008 CA THR A 62 1.252 9.121 -8.861 1.00 0.00 C ATOM 1009 C THR A 62 0.947 9.919 -7.579 1.00 0.00 C ATOM 1010 O THR A 62 0.121 10.832 -7.597 1.00 0.00 O ATOM 1011 CB THR A 62 -0.011 8.767 -9.679 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.823 7.759 -9.097 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.360 8.294 -11.091 1.00 0.00 C ATOM 0 H THR A 62 1.498 7.064 -8.556 1.00 0.00 H new ATOM 0 HA THR A 62 1.847 9.788 -9.484 1.00 0.00 H new ATOM 0 HB THR A 62 -0.583 9.695 -9.702 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.483 6.876 -9.354 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.548 8.052 -11.644 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.900 9.086 -11.610 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.991 7.408 -11.024 1.00 0.00 H new ATOM 1021 N GLY A 63 1.602 9.579 -6.462 1.00 0.00 N ATOM 1022 CA GLY A 63 1.418 10.122 -5.130 1.00 0.00 C ATOM 1023 C GLY A 63 -0.046 10.343 -4.782 1.00 0.00 C ATOM 1024 O GLY A 63 -0.382 11.392 -4.212 1.00 0.00 O ATOM 0 H GLY A 63 2.327 8.862 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.862 9.444 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.953 11.069 -5.051 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.907 9.342 -5.012 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.331 9.525 -4.772 1.00 0.00 C ATOM 1030 C LYS A 64 -2.511 9.152 -3.308 1.00 0.00 C ATOM 1031 O LYS A 64 -1.867 8.246 -2.790 1.00 0.00 O ATOM 1032 CB LYS A 64 -3.090 8.570 -5.718 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.621 8.662 -5.613 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.378 7.679 -6.528 1.00 0.00 C ATOM 1035 CE LYS A 64 -5.142 7.921 -8.033 1.00 0.00 C ATOM 1036 NZ LYS A 64 -6.404 7.918 -8.818 1.00 0.00 N ATOM 0 H LYS A 64 -0.643 8.419 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.706 10.531 -4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.794 8.784 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.784 7.546 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.915 8.478 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.930 9.679 -5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.075 6.661 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.446 7.753 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.637 8.877 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.476 7.151 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.185 8.034 -9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.901 7.016 -8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.011 8.702 -8.503 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.389 9.881 -2.626 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.550 9.706 -1.182 1.00 0.00 C ATOM 1052 C LYS A 65 -4.254 8.392 -0.845 1.00 0.00 C ATOM 1053 O LYS A 65 -5.084 7.950 -1.635 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.086 11.006 -0.546 1.00 0.00 C ATOM 1055 CG LYS A 65 -2.956 12.040 -0.292 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.015 12.338 -1.479 1.00 0.00 C ATOM 1057 CE LYS A 65 -0.814 13.214 -1.111 1.00 0.00 C ATOM 1058 NZ LYS A 65 0.083 13.391 -2.280 1.00 0.00 N ATOM 0 H LYS A 65 -3.994 10.590 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.586 9.565 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.839 11.446 -1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.581 10.771 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.415 12.977 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.351 11.686 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.653 11.395 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.584 12.831 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.160 14.187 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.263 12.758 -0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.070 13.243 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.166 12.700 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.025 14.354 -2.658 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.109 7.852 0.375 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.623 6.545 0.780 1.00 0.00 C ATOM 1074 C PRO A 66 -6.131 6.410 0.624 1.00 0.00 C ATOM 1075 O PRO A 66 -6.594 5.432 0.045 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.190 6.351 2.239 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.799 7.756 2.683 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.235 8.350 1.410 1.00 0.00 C ATOM 0 HA PRO A 66 -4.216 5.771 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.999 5.948 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.354 5.657 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.656 8.320 3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.062 7.739 3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.236 9.439 1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.204 8.037 1.246 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.903 7.375 1.135 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.356 7.366 0.997 1.00 0.00 C ATOM 1088 C GLN A 67 -8.742 7.255 -0.482 1.00 0.00 C ATOM 1089 O GLN A 67 -9.631 6.472 -0.817 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.933 8.608 1.705 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.425 8.897 1.437 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.682 9.621 0.108 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.795 10.252 -0.452 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.887 9.545 -0.430 1.00 0.00 N ATOM 0 H GLN A 67 -6.539 8.176 1.651 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.792 6.493 1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.792 8.490 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.353 9.479 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.975 7.956 1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.822 9.501 2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.623 9.018 0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.081 10.013 -1.315 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.030 7.962 -1.361 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.360 7.996 -2.775 1.00 0.00 C ATOM 1105 C ALA A 68 -7.867 6.722 -3.461 1.00 0.00 C ATOM 1106 O ALA A 68 -8.530 6.251 -4.378 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.756 9.248 -3.420 1.00 0.00 C ATOM 0 H ALA A 68 -7.215 8.521 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.443 8.042 -2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.007 9.268 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.159 10.137 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.672 9.230 -3.304 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.753 6.131 -3.011 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.268 4.848 -3.512 1.00 0.00 C ATOM 1115 C ILE A 69 -7.348 3.788 -3.287 1.00 0.00 C ATOM 1116 O ILE A 69 -7.784 3.139 -4.232 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.921 4.472 -2.831 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.782 5.403 -3.296 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.592 2.993 -3.107 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.469 5.273 -2.501 1.00 0.00 C ATOM 0 H ILE A 69 -6.162 6.536 -2.285 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.070 4.913 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.022 4.607 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.574 5.201 -4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.127 6.435 -3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.648 2.735 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.386 2.363 -2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.509 2.833 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.730 5.967 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.654 5.506 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.092 4.254 -2.585 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.769 3.606 -2.036 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.777 2.643 -1.614 1.00 0.00 C ATOM 1134 C CYS A 70 -10.096 2.852 -2.349 1.00 0.00 C ATOM 1135 O CYS A 70 -10.808 1.869 -2.555 1.00 0.00 O ATOM 1136 CB CYS A 70 -8.936 2.736 -0.095 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.368 2.528 0.796 1.00 0.00 S ATOM 0 H CYS A 70 -7.399 4.151 -1.257 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.452 1.635 -1.873 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.368 3.704 0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.641 1.974 0.238 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.511 4.095 -2.610 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.696 4.322 -3.428 1.00 0.00 C ATOM 1144 C VAL A 71 -11.406 3.826 -4.856 1.00 0.00 C ATOM 1145 O VAL A 71 -12.072 2.884 -5.260 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.095 5.814 -3.339 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.107 6.277 -4.392 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.718 6.102 -1.959 1.00 0.00 C ATOM 0 H VAL A 71 -10.052 4.941 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.557 3.758 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.168 6.360 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.324 7.336 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.691 6.124 -5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.027 5.701 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.998 7.154 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.604 5.482 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.993 5.874 -1.178 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.310 4.237 -5.506 1.00 0.00 N ATOM 1159 CA ASP A 72 -10.000 3.931 -6.917 1.00 0.00 C ATOM 1160 C ASP A 72 -9.954 2.430 -7.203 1.00 0.00 C ATOM 1161 O ASP A 72 -10.500 1.929 -8.185 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.660 4.582 -7.289 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.361 4.639 -8.794 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.333 3.591 -9.485 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.912 5.735 -9.205 1.00 0.00 O ATOM 0 H ASP A 72 -9.593 4.807 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.805 4.339 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.644 5.597 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.858 4.034 -6.795 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.233 1.687 -6.363 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.075 0.242 -6.533 1.00 0.00 C ATOM 1172 C ILE A 73 -10.283 -0.548 -6.005 1.00 0.00 C ATOM 1173 O ILE A 73 -10.298 -1.774 -6.085 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.717 -0.210 -5.992 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.684 -0.144 -4.461 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.611 0.632 -6.645 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.267 -0.232 -3.914 1.00 0.00 C ATOM 0 H ILE A 73 -8.745 2.066 -5.551 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.067 0.009 -7.598 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.545 -1.255 -6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.143 0.787 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.282 -0.958 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.640 0.315 -6.264 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.639 0.494 -7.726 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.768 1.685 -6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.293 -0.181 -2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.816 -1.175 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.675 0.597 -4.302 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.283 0.164 -5.485 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.589 -0.259 -5.034 1.00 0.00 C ATOM 1191 C LYS A 74 -12.499 -1.209 -3.851 1.00 0.00 C ATOM 1192 O LYS A 74 -12.878 -2.376 -3.888 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.413 -0.706 -6.247 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.891 -0.769 -5.866 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.783 -1.334 -6.974 1.00 0.00 C ATOM 1196 CE LYS A 74 -16.613 -0.300 -7.755 1.00 0.00 C ATOM 1197 NZ LYS A 74 -15.817 0.455 -8.747 1.00 0.00 N ATOM 0 H LYS A 74 -11.173 1.170 -5.359 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.153 0.568 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.269 -0.010 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.073 -1.683 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.002 -1.383 -4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.235 0.233 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.154 -1.876 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.465 -2.060 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.430 -0.810 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.065 0.400 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.446 1.074 -9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.107 1.033 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.338 -0.210 -9.387 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.028 -0.639 -2.748 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.870 -1.266 -1.444 1.00 0.00 C ATOM 1213 C ILE A 75 -12.592 -0.425 -0.375 1.00 0.00 C ATOM 1214 O ILE A 75 -12.924 -0.946 0.691 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.351 -1.439 -1.188 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.745 -2.450 -2.188 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -10.018 -1.904 0.236 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.231 -2.591 -2.015 1.00 0.00 C ATOM 0 H ILE A 75 -11.728 0.336 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.329 -2.254 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.917 -0.449 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.218 -3.423 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.965 -2.129 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.938 -2.004 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.388 -1.172 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.492 -2.868 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.848 -3.311 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.755 -1.624 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.011 -2.938 -1.005 1.00 0.00 H new ATOM 1230 N CYS A 76 -12.886 0.857 -0.632 1.00 0.00 N ATOM 1231 CA CYS A 76 -13.447 1.727 0.394 1.00 0.00 C ATOM 1232 C CYS A 76 -14.971 1.560 0.501 1.00 0.00 C ATOM 1233 O CYS A 76 -15.456 0.787 1.340 1.00 0.00 O ATOM 1234 CB CYS A 76 -13.035 3.184 0.146 1.00 0.00 C ATOM 1235 SG CYS A 76 -13.510 4.300 1.496 1.00 0.00 S ATOM 0 H CYS A 76 -12.744 1.306 -1.537 1.00 0.00 H new ATOM 0 HA CYS A 76 -13.037 1.431 1.359 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.955 3.231 0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -13.491 3.531 -0.781 1.00 0.00 H new ATOM 1240 N LYS A 77 -15.723 2.309 -0.312 1.00 0.00 N ATOM 1241 CA LYS A 77 -17.167 2.262 -0.490 1.00 0.00 C ATOM 1242 C LYS A 77 -17.515 3.106 -1.709 1.00 0.00 C ATOM 1243 O LYS A 77 -18.103 4.177 -1.567 1.00 0.00 O ATOM 1244 CB LYS A 77 -17.948 2.669 0.789 1.00 0.00 C ATOM 1245 CG LYS A 77 -19.474 2.920 0.659 1.00 0.00 C ATOM 1246 CD LYS A 77 -20.292 2.009 -0.288 1.00 0.00 C ATOM 1247 CE LYS A 77 -21.419 2.786 -0.998 1.00 0.00 C ATOM 1248 NZ LYS A 77 -20.913 3.652 -2.088 1.00 0.00 N ATOM 0 H LYS A 77 -15.297 3.019 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.483 1.234 -0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.800 1.887 1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.492 3.577 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.910 2.840 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.614 3.950 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.628 1.570 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.722 1.185 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.142 2.079 -1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.949 3.398 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.471 4.529 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.915 3.884 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.997 3.152 -2.996 1.00 0.00 H new ATOM 1262 N GLU A 78 -17.043 2.676 -2.876 1.00 0.00 N ATOM 1263 CA GLU A 78 -17.454 3.328 -4.109 1.00 0.00 C ATOM 1264 C GLU A 78 -18.952 3.059 -4.204 1.00 0.00 C ATOM 1265 O GLU A 78 -19.706 4.008 -4.470 1.00 0.00 O ATOM 1266 CB GLU A 78 -16.723 2.761 -5.329 1.00 0.00 C ATOM 1267 CG GLU A 78 -15.200 2.953 -5.271 1.00 0.00 C ATOM 1268 CD GLU A 78 -14.608 3.271 -6.649 1.00 0.00 C ATOM 1269 OE1 GLU A 78 -14.512 2.311 -7.449 1.00 0.00 O ATOM 1270 OE2 GLU A 78 -14.310 4.454 -6.911 1.00 0.00 O ATOM 1271 OXT GLU A 78 -19.396 1.987 -3.727 1.00 0.00 O ATOM 0 H GLU A 78 -16.392 1.899 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.216 4.392 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.945 1.697 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.108 3.240 -6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.963 3.761 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.735 2.049 -4.877 1.00 0.00 H new TER 1278 GLU A 78