USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 609 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.242 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 81:sc= -0.176 USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000637) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl 142:sc= -2.64 (180deg=-6.07!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -154:sc= -0.884 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.05 K(o=-1,f=-5!) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.0797 USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.317 USER MOD Single : A 62 ASN : amide:sc= -0.0471 K(o=-0.047,f=-1.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -129:sc= -3.52! (180deg=-7.98!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.972 -17.554 8.343 1.00 0.00 N ATOM 2 CA GLY A 1 -11.740 -18.697 7.478 1.00 0.00 C ATOM 3 C GLY A 1 -11.339 -18.289 6.074 1.00 0.00 C ATOM 4 O GLY A 1 -10.152 -18.186 5.766 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.243 -17.885 9.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.103 -16.987 8.410 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.737 -16.970 7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.958 -19.322 7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.644 -19.304 7.433 1.00 0.00 H new ATOM 8 N SER A 2 -12.331 -18.058 5.220 1.00 0.00 N ATOM 9 CA SER A 2 -12.075 -17.665 3.839 1.00 0.00 C ATOM 10 C SER A 2 -13.010 -16.537 3.414 1.00 0.00 C ATOM 11 O SER A 2 -14.041 -16.299 4.043 1.00 0.00 O ATOM 12 CB SER A 2 -12.247 -18.864 2.905 1.00 0.00 C ATOM 13 OG SER A 2 -13.505 -19.488 3.101 1.00 0.00 O ATOM 0 H SER A 2 -13.319 -18.136 5.460 1.00 0.00 H new ATOM 0 HA SER A 2 -11.048 -17.307 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.157 -18.538 1.869 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.449 -19.585 3.083 1.00 0.00 H new ATOM 0 HG SER A 2 -13.591 -20.250 2.491 1.00 0.00 H new ATOM 19 N SER A 3 -12.641 -15.844 2.341 1.00 0.00 N ATOM 20 CA SER A 3 -13.443 -14.738 1.833 1.00 0.00 C ATOM 21 C SER A 3 -13.848 -14.982 0.382 1.00 0.00 C ATOM 22 O SER A 3 -13.347 -15.898 -0.268 1.00 0.00 O ATOM 23 CB SER A 3 -12.666 -13.424 1.943 1.00 0.00 C ATOM 24 OG SER A 3 -13.538 -12.309 1.877 1.00 0.00 O ATOM 0 H SER A 3 -11.792 -16.029 1.807 1.00 0.00 H new ATOM 0 HA SER A 3 -14.347 -14.669 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.113 -13.402 2.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.932 -13.364 1.140 1.00 0.00 H new ATOM 0 HG SER A 3 -13.018 -11.482 1.951 1.00 0.00 H new ATOM 30 N GLY A 4 -14.760 -14.154 -0.119 1.00 0.00 N ATOM 31 CA GLY A 4 -15.218 -14.296 -1.489 1.00 0.00 C ATOM 32 C GLY A 4 -15.582 -12.967 -2.119 1.00 0.00 C ATOM 33 O GLY A 4 -15.421 -11.914 -1.501 1.00 0.00 O ATOM 0 H GLY A 4 -15.190 -13.388 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.438 -14.774 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.086 -14.955 -1.512 1.00 0.00 H new ATOM 37 N SER A 5 -16.074 -13.014 -3.353 1.00 0.00 N ATOM 38 CA SER A 5 -16.457 -11.803 -4.070 1.00 0.00 C ATOM 39 C SER A 5 -17.474 -12.117 -5.162 1.00 0.00 C ATOM 40 O SER A 5 -17.295 -13.053 -5.942 1.00 0.00 O ATOM 41 CB SER A 5 -15.224 -11.135 -4.681 1.00 0.00 C ATOM 42 OG SER A 5 -14.283 -10.788 -3.680 1.00 0.00 O ATOM 0 H SER A 5 -16.217 -13.877 -3.877 1.00 0.00 H new ATOM 0 HA SER A 5 -16.916 -11.118 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.761 -11.809 -5.402 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.524 -10.241 -5.228 1.00 0.00 H new ATOM 0 HG SER A 5 -13.504 -10.364 -4.096 1.00 0.00 H new ATOM 48 N SER A 6 -18.542 -11.328 -5.213 1.00 0.00 N ATOM 49 CA SER A 6 -19.591 -11.524 -6.207 1.00 0.00 C ATOM 50 C SER A 6 -19.561 -10.414 -7.253 1.00 0.00 C ATOM 51 O SER A 6 -19.726 -9.238 -6.932 1.00 0.00 O ATOM 52 CB SER A 6 -20.963 -11.566 -5.531 1.00 0.00 C ATOM 53 OG SER A 6 -22.002 -11.643 -6.491 1.00 0.00 O ATOM 0 H SER A 6 -18.704 -10.547 -4.578 1.00 0.00 H new ATOM 0 HA SER A 6 -19.411 -12.476 -6.706 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.017 -12.426 -4.863 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.097 -10.676 -4.916 1.00 0.00 H new ATOM 0 HG SER A 6 -22.868 -11.670 -6.034 1.00 0.00 H new ATOM 59 N GLY A 7 -19.349 -10.798 -8.509 1.00 0.00 N ATOM 60 CA GLY A 7 -19.300 -9.825 -9.584 1.00 0.00 C ATOM 61 C GLY A 7 -17.881 -9.471 -9.982 1.00 0.00 C ATOM 62 O GLY A 7 -16.936 -9.742 -9.243 1.00 0.00 O ATOM 0 H GLY A 7 -19.210 -11.766 -8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.829 -10.220 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.824 -8.920 -9.275 1.00 0.00 H new ATOM 66 N ALA A 8 -17.731 -8.865 -11.156 1.00 0.00 N ATOM 67 CA ALA A 8 -16.417 -8.474 -11.651 1.00 0.00 C ATOM 68 C ALA A 8 -16.419 -7.025 -12.127 1.00 0.00 C ATOM 69 O ALA A 8 -16.557 -6.753 -13.320 1.00 0.00 O ATOM 70 CB ALA A 8 -15.980 -9.400 -12.776 1.00 0.00 C ATOM 0 H ALA A 8 -18.503 -8.635 -11.781 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.706 -8.558 -10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.997 -9.096 -13.136 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.930 -10.424 -12.406 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.699 -9.344 -13.593 1.00 0.00 H new ATOM 76 N LEU A 9 -16.267 -6.099 -11.187 1.00 0.00 N ATOM 77 CA LEU A 9 -16.252 -4.676 -11.511 1.00 0.00 C ATOM 78 C LEU A 9 -15.066 -3.980 -10.851 1.00 0.00 C ATOM 79 O LEU A 9 -14.983 -3.902 -9.626 1.00 0.00 O ATOM 80 CB LEU A 9 -17.558 -4.017 -11.063 1.00 0.00 C ATOM 81 CG LEU A 9 -17.936 -2.721 -11.780 1.00 0.00 C ATOM 82 CD1 LEU A 9 -19.437 -2.489 -11.709 1.00 0.00 C ATOM 83 CD2 LEU A 9 -17.183 -1.541 -11.182 1.00 0.00 C ATOM 0 H LEU A 9 -16.152 -6.307 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.153 -4.576 -12.592 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.368 -4.733 -11.199 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.490 -3.811 -9.995 1.00 0.00 H new ATOM 0 HG LEU A 9 -17.653 -2.813 -12.829 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -19.687 -1.562 -12.225 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -19.957 -3.320 -12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -19.745 -2.418 -10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.465 -0.627 -11.705 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.434 -1.447 -10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.110 -1.703 -11.287 1.00 0.00 H new ATOM 95 N GLN A 10 -14.151 -3.475 -11.673 1.00 0.00 N ATOM 96 CA GLN A 10 -12.970 -2.784 -11.168 1.00 0.00 C ATOM 97 C GLN A 10 -13.365 -1.591 -10.303 1.00 0.00 C ATOM 98 O GLN A 10 -14.249 -0.815 -10.666 1.00 0.00 O ATOM 99 CB GLN A 10 -12.091 -2.318 -12.329 1.00 0.00 C ATOM 100 CG GLN A 10 -10.751 -1.750 -11.889 1.00 0.00 C ATOM 101 CD GLN A 10 -9.736 -2.830 -11.571 1.00 0.00 C ATOM 102 OE1 GLN A 10 -8.978 -3.260 -12.441 1.00 0.00 O ATOM 103 NE2 GLN A 10 -9.715 -3.274 -10.320 1.00 0.00 N ATOM 0 H GLN A 10 -14.205 -3.531 -12.690 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.406 -3.485 -10.552 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.917 -3.158 -13.002 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.628 -1.560 -12.899 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.357 -1.107 -12.676 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.897 -1.124 -11.009 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.362 -2.889 -9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.052 -4.000 -10.048 1.00 0.00 H new ATOM 112 N ASP A 11 -12.705 -1.452 -9.159 1.00 0.00 N ATOM 113 CA ASP A 11 -12.987 -0.354 -8.242 1.00 0.00 C ATOM 114 C ASP A 11 -11.848 -0.174 -7.243 1.00 0.00 C ATOM 115 O ASP A 11 -10.915 -0.976 -7.200 1.00 0.00 O ATOM 116 CB ASP A 11 -14.300 -0.606 -7.498 1.00 0.00 C ATOM 117 CG ASP A 11 -14.214 -1.793 -6.559 1.00 0.00 C ATOM 118 OD1 ASP A 11 -14.122 -2.936 -7.055 1.00 0.00 O ATOM 119 OD2 ASP A 11 -14.239 -1.579 -5.329 1.00 0.00 O ATOM 0 H ASP A 11 -11.971 -2.086 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.081 0.561 -8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.569 0.284 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.098 -0.776 -8.221 1.00 0.00 H new ATOM 124 N ARG A 12 -11.932 0.883 -6.442 1.00 0.00 N ATOM 125 CA ARG A 12 -10.907 1.170 -5.445 1.00 0.00 C ATOM 126 C ARG A 12 -11.517 1.262 -4.050 1.00 0.00 C ATOM 127 O ARG A 12 -12.371 2.111 -3.788 1.00 0.00 O ATOM 128 CB ARG A 12 -10.185 2.475 -5.786 1.00 0.00 C ATOM 129 CG ARG A 12 -9.146 2.883 -4.754 1.00 0.00 C ATOM 130 CD ARG A 12 -8.640 4.295 -5.001 1.00 0.00 C ATOM 131 NE ARG A 12 -9.614 5.305 -4.594 1.00 0.00 N ATOM 132 CZ ARG A 12 -9.344 6.604 -4.535 1.00 0.00 C ATOM 133 NH1 ARG A 12 -8.137 7.049 -4.856 1.00 0.00 N ATOM 134 NH2 ARG A 12 -10.283 7.461 -4.155 1.00 0.00 N ATOM 0 H ARG A 12 -12.699 1.555 -6.464 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.187 0.352 -5.454 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.699 2.369 -6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.921 3.273 -5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.579 2.820 -3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.309 2.185 -4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.710 4.447 -4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.411 4.418 -6.060 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.553 4.996 -4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.413 6.393 -5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.933 8.047 -4.810 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.213 7.122 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.075 8.459 -4.110 1.00 0.00 H new ATOM 148 N THR A 13 -11.074 0.383 -3.156 1.00 0.00 N ATOM 149 CA THR A 13 -11.577 0.365 -1.788 1.00 0.00 C ATOM 150 C THR A 13 -10.942 1.471 -0.954 1.00 0.00 C ATOM 151 O THR A 13 -9.773 1.807 -1.140 1.00 0.00 O ATOM 152 CB THR A 13 -11.309 -0.992 -1.110 1.00 0.00 C ATOM 153 OG1 THR A 13 -11.901 -1.013 0.194 1.00 0.00 O ATOM 154 CG2 THR A 13 -9.815 -1.256 -0.999 1.00 0.00 C ATOM 0 H THR A 13 -10.368 -0.326 -3.355 1.00 0.00 H new ATOM 0 HA THR A 13 -12.653 0.529 -1.844 1.00 0.00 H new ATOM 0 HB THR A 13 -11.755 -1.775 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.728 -1.879 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.651 -2.220 -0.517 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.373 -1.268 -1.995 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.350 -0.469 -0.405 1.00 0.00 H new ATOM 162 N GLN A 14 -11.720 2.032 -0.034 1.00 0.00 N ATOM 163 CA GLN A 14 -11.232 3.101 0.829 1.00 0.00 C ATOM 164 C GLN A 14 -10.532 2.532 2.059 1.00 0.00 C ATOM 165 O GLN A 14 -10.899 1.468 2.558 1.00 0.00 O ATOM 166 CB GLN A 14 -12.388 4.006 1.259 1.00 0.00 C ATOM 167 CG GLN A 14 -12.646 5.160 0.304 1.00 0.00 C ATOM 168 CD GLN A 14 -13.577 6.204 0.887 1.00 0.00 C ATOM 169 OE1 GLN A 14 -14.799 6.081 0.799 1.00 0.00 O ATOM 170 NE2 GLN A 14 -13.004 7.240 1.488 1.00 0.00 N ATOM 0 H GLN A 14 -12.690 1.764 0.133 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.510 3.689 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.295 3.407 1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.175 4.406 2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.698 5.630 0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.074 4.773 -0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.987 7.302 1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.581 7.974 1.900 1.00 0.00 H new ATOM 179 N PHE A 15 -9.522 3.247 2.542 1.00 0.00 N ATOM 180 CA PHE A 15 -8.769 2.812 3.713 1.00 0.00 C ATOM 181 C PHE A 15 -9.115 3.665 4.930 1.00 0.00 C ATOM 182 O PHE A 15 -9.498 4.828 4.798 1.00 0.00 O ATOM 183 CB PHE A 15 -7.266 2.885 3.435 1.00 0.00 C ATOM 184 CG PHE A 15 -6.760 1.761 2.577 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.862 0.446 3.002 1.00 0.00 C ATOM 186 CD2 PHE A 15 -6.183 2.019 1.344 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.396 -0.589 2.214 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.716 0.988 0.551 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.824 -0.318 0.987 1.00 0.00 C ATOM 0 H PHE A 15 -9.206 4.130 2.141 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.042 1.779 3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.040 3.833 2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.728 2.878 4.383 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.311 0.228 3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.097 3.039 0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.479 -1.609 2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.268 1.203 -0.408 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.462 -1.126 0.369 1.00 0.00 H new ATOM 199 N SER A 16 -8.977 3.079 6.115 1.00 0.00 N ATOM 200 CA SER A 16 -9.279 3.783 7.356 1.00 0.00 C ATOM 201 C SER A 16 -7.997 4.150 8.098 1.00 0.00 C ATOM 202 O SER A 16 -6.928 3.609 7.816 1.00 0.00 O ATOM 203 CB SER A 16 -10.171 2.921 8.252 1.00 0.00 C ATOM 204 OG SER A 16 -11.303 2.449 7.541 1.00 0.00 O ATOM 0 H SER A 16 -8.658 2.119 6.242 1.00 0.00 H new ATOM 0 HA SER A 16 -9.809 4.702 7.104 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.599 2.076 8.634 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.496 3.503 9.115 1.00 0.00 H new ATOM 0 HG SER A 16 -11.856 1.899 8.135 1.00 0.00 H new ATOM 210 N ASP A 17 -8.114 5.072 9.046 1.00 0.00 N ATOM 211 CA ASP A 17 -6.966 5.512 9.830 1.00 0.00 C ATOM 212 C ASP A 17 -6.183 4.317 10.365 1.00 0.00 C ATOM 213 O ASP A 17 -4.954 4.291 10.306 1.00 0.00 O ATOM 214 CB ASP A 17 -7.422 6.399 10.990 1.00 0.00 C ATOM 215 CG ASP A 17 -8.292 7.552 10.529 1.00 0.00 C ATOM 216 OD1 ASP A 17 -8.021 8.101 9.441 1.00 0.00 O ATOM 217 OD2 ASP A 17 -9.244 7.906 11.257 1.00 0.00 O ATOM 0 H ASP A 17 -8.992 5.530 9.291 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.312 6.090 9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.975 5.795 11.710 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.548 6.792 11.509 1.00 0.00 H new ATOM 222 N ARG A 18 -6.904 3.330 10.888 1.00 0.00 N ATOM 223 CA ARG A 18 -6.277 2.134 11.436 1.00 0.00 C ATOM 224 C ARG A 18 -5.462 1.409 10.368 1.00 0.00 C ATOM 225 O ARG A 18 -4.280 1.126 10.561 1.00 0.00 O ATOM 226 CB ARG A 18 -7.338 1.192 12.008 1.00 0.00 C ATOM 227 CG ARG A 18 -6.783 0.173 12.989 1.00 0.00 C ATOM 228 CD ARG A 18 -7.846 -0.830 13.412 1.00 0.00 C ATOM 229 NE ARG A 18 -8.053 -1.865 12.403 1.00 0.00 N ATOM 230 CZ ARG A 18 -7.291 -2.947 12.293 1.00 0.00 C ATOM 231 NH1 ARG A 18 -6.276 -3.135 13.126 1.00 0.00 N ATOM 232 NH2 ARG A 18 -7.543 -3.845 11.349 1.00 0.00 N ATOM 0 H ARG A 18 -7.922 3.336 10.943 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.604 2.442 12.236 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.106 1.783 12.507 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.825 0.666 11.187 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.945 -0.354 12.533 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.395 0.687 13.869 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.552 -1.295 14.353 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.785 -0.308 13.594 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.825 -1.751 11.747 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.079 -2.448 13.853 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.692 -3.967 13.039 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.323 -3.705 10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.957 -4.676 11.266 1.00 0.00 H new ATOM 246 N ASP A 19 -6.102 1.113 9.242 1.00 0.00 N ATOM 247 CA ASP A 19 -5.437 0.423 8.144 1.00 0.00 C ATOM 248 C ASP A 19 -4.248 1.231 7.634 1.00 0.00 C ATOM 249 O ASP A 19 -3.109 0.763 7.660 1.00 0.00 O ATOM 250 CB ASP A 19 -6.423 0.168 7.002 1.00 0.00 C ATOM 251 CG ASP A 19 -7.425 -0.920 7.335 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.951 -0.916 8.468 1.00 0.00 O ATOM 253 OD2 ASP A 19 -7.684 -1.776 6.463 1.00 0.00 O ATOM 0 H ASP A 19 -7.081 1.340 9.066 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.070 -0.533 8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.956 1.091 6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.871 -0.113 6.105 1.00 0.00 H new ATOM 258 N LEU A 20 -4.520 2.445 7.170 1.00 0.00 N ATOM 259 CA LEU A 20 -3.473 3.320 6.653 1.00 0.00 C ATOM 260 C LEU A 20 -2.228 3.257 7.532 1.00 0.00 C ATOM 261 O LEU A 20 -1.111 3.123 7.035 1.00 0.00 O ATOM 262 CB LEU A 20 -3.979 4.760 6.568 1.00 0.00 C ATOM 263 CG LEU A 20 -4.814 5.107 5.335 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.397 6.506 5.460 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.974 4.989 4.072 1.00 0.00 C ATOM 0 H LEU A 20 -5.457 2.847 7.141 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.208 2.976 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.576 4.967 7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.119 5.429 6.599 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.638 4.397 5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.988 6.735 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.034 6.557 6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.588 7.230 5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.584 5.240 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.129 5.675 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.606 3.968 3.974 1.00 0.00 H new ATOM 277 N ALA A 21 -2.430 3.353 8.842 1.00 0.00 N ATOM 278 CA ALA A 21 -1.325 3.303 9.791 1.00 0.00 C ATOM 279 C ALA A 21 -0.332 2.206 9.421 1.00 0.00 C ATOM 280 O ALA A 21 0.881 2.388 9.531 1.00 0.00 O ATOM 281 CB ALA A 21 -1.850 3.087 11.203 1.00 0.00 C ATOM 0 H ALA A 21 -3.349 3.466 9.270 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.802 4.259 9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.013 3.052 11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.514 3.908 11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.399 2.146 11.247 1.00 0.00 H new ATOM 287 N THR A 22 -0.855 1.065 8.982 1.00 0.00 N ATOM 288 CA THR A 22 -0.015 -0.062 8.597 1.00 0.00 C ATOM 289 C THR A 22 0.792 0.256 7.344 1.00 0.00 C ATOM 290 O THR A 22 2.022 0.187 7.351 1.00 0.00 O ATOM 291 CB THR A 22 -0.855 -1.328 8.345 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.625 -1.646 9.510 1.00 0.00 O ATOM 293 CG2 THR A 22 0.036 -2.506 7.983 1.00 0.00 C ATOM 0 H THR A 22 -1.856 0.897 8.884 1.00 0.00 H new ATOM 0 HA THR A 22 0.667 -0.246 9.427 1.00 0.00 H new ATOM 0 HB THR A 22 -1.526 -1.131 7.509 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.432 -1.091 9.530 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.580 -3.388 7.810 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.598 -2.273 7.079 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.729 -2.703 8.801 1.00 0.00 H new ATOM 301 N LEU A 23 0.094 0.606 6.269 1.00 0.00 N ATOM 302 CA LEU A 23 0.747 0.937 5.007 1.00 0.00 C ATOM 303 C LEU A 23 1.779 2.043 5.201 1.00 0.00 C ATOM 304 O LEU A 23 2.964 1.858 4.923 1.00 0.00 O ATOM 305 CB LEU A 23 -0.292 1.369 3.971 1.00 0.00 C ATOM 306 CG LEU A 23 -0.881 0.254 3.106 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.212 0.687 2.511 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.095 -0.139 2.006 1.00 0.00 C ATOM 0 H LEU A 23 -0.924 0.668 6.246 1.00 0.00 H new ATOM 0 HA LEU A 23 1.261 0.046 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.109 1.868 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.165 2.108 3.314 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.055 -0.617 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.616 -0.119 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.912 0.918 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.063 1.573 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.340 -0.934 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.301 0.726 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.024 -0.492 2.453 1.00 0.00 H new ATOM 320 N LYS A 24 1.322 3.194 5.683 1.00 0.00 N ATOM 321 CA LYS A 24 2.205 4.330 5.919 1.00 0.00 C ATOM 322 C LYS A 24 3.459 3.897 6.670 1.00 0.00 C ATOM 323 O LYS A 24 4.566 4.339 6.359 1.00 0.00 O ATOM 324 CB LYS A 24 1.472 5.416 6.710 1.00 0.00 C ATOM 325 CG LYS A 24 0.586 6.301 5.851 1.00 0.00 C ATOM 326 CD LYS A 24 -0.397 7.094 6.696 1.00 0.00 C ATOM 327 CE LYS A 24 0.311 8.158 7.521 1.00 0.00 C ATOM 328 NZ LYS A 24 0.684 9.342 6.698 1.00 0.00 N ATOM 0 H LYS A 24 0.344 3.365 5.918 1.00 0.00 H new ATOM 0 HA LYS A 24 2.504 4.734 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.862 4.944 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.206 6.039 7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.206 6.986 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.039 5.686 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.137 7.566 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.937 6.418 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.337 8.474 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.208 7.732 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.149 10.051 7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.336 9.048 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.172 9.755 6.275 1.00 0.00 H new ATOM 342 N LYS A 25 3.281 3.030 7.661 1.00 0.00 N ATOM 343 CA LYS A 25 4.398 2.534 8.456 1.00 0.00 C ATOM 344 C LYS A 25 5.537 2.062 7.558 1.00 0.00 C ATOM 345 O LYS A 25 6.702 2.383 7.797 1.00 0.00 O ATOM 346 CB LYS A 25 3.939 1.388 9.360 1.00 0.00 C ATOM 347 CG LYS A 25 4.826 1.179 10.575 1.00 0.00 C ATOM 348 CD LYS A 25 4.387 -0.030 11.385 1.00 0.00 C ATOM 349 CE LYS A 25 5.169 -0.144 12.684 1.00 0.00 C ATOM 350 NZ LYS A 25 5.082 -1.512 13.265 1.00 0.00 N ATOM 0 H LYS A 25 2.372 2.656 7.933 1.00 0.00 H new ATOM 0 HA LYS A 25 4.762 3.353 9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.920 1.585 9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.911 0.467 8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.859 1.047 10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.799 2.069 11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.322 0.046 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.527 -0.935 10.794 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.214 0.108 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.787 0.581 13.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.628 -1.549 14.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.087 -1.743 13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.470 -2.201 12.590 1.00 0.00 H new ATOM 364 N TYR A 26 5.194 1.301 6.525 1.00 0.00 N ATOM 365 CA TYR A 26 6.189 0.784 5.593 1.00 0.00 C ATOM 366 C TYR A 26 6.827 1.917 4.794 1.00 0.00 C ATOM 367 O TYR A 26 8.027 1.900 4.522 1.00 0.00 O ATOM 368 CB TYR A 26 5.549 -0.228 4.641 1.00 0.00 C ATOM 369 CG TYR A 26 5.430 -1.617 5.227 1.00 0.00 C ATOM 370 CD1 TYR A 26 6.481 -2.521 5.141 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.265 -2.026 5.865 1.00 0.00 C ATOM 372 CE1 TYR A 26 6.377 -3.792 5.674 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.152 -3.293 6.402 1.00 0.00 C ATOM 374 CZ TYR A 26 5.210 -4.173 6.304 1.00 0.00 C ATOM 375 OH TYR A 26 5.100 -5.437 6.836 1.00 0.00 O ATOM 0 H TYR A 26 4.235 1.028 6.312 1.00 0.00 H new ATOM 0 HA TYR A 26 6.968 0.287 6.171 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.557 0.126 4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.139 -0.278 3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.396 -2.225 4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.434 -1.341 5.942 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.204 -4.483 5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.240 -3.594 6.896 1.00 0.00 H new ATOM 0 HH TYR A 26 4.216 -5.544 7.245 1.00 0.00 H new ATOM 385 N TRP A 27 6.014 2.900 4.422 1.00 0.00 N ATOM 386 CA TRP A 27 6.498 4.042 3.655 1.00 0.00 C ATOM 387 C TRP A 27 7.673 4.712 4.358 1.00 0.00 C ATOM 388 O TRP A 27 8.513 5.345 3.718 1.00 0.00 O ATOM 389 CB TRP A 27 5.371 5.054 3.442 1.00 0.00 C ATOM 390 CG TRP A 27 5.816 6.300 2.739 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.664 7.255 3.222 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.435 6.726 1.426 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.833 8.250 2.288 1.00 0.00 N ATOM 394 CE2 TRP A 27 6.090 7.948 1.178 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.606 6.193 0.436 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.939 8.643 -0.019 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.457 6.884 -0.751 1.00 0.00 C ATOM 398 CH2 TRP A 27 5.121 8.098 -0.971 1.00 0.00 C ATOM 0 H TRP A 27 5.018 2.929 4.639 1.00 0.00 H new ATOM 0 HA TRP A 27 6.839 3.678 2.686 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.575 4.584 2.864 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.947 5.323 4.409 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.133 7.232 4.195 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.417 9.078 2.403 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.091 5.257 0.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.449 9.579 -0.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.818 6.481 -1.523 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.985 8.614 -1.910 1.00 0.00 H new ATOM 409 N ASP A 28 7.728 4.567 5.677 1.00 0.00 N ATOM 410 CA ASP A 28 8.803 5.158 6.467 1.00 0.00 C ATOM 411 C ASP A 28 10.148 4.537 6.104 1.00 0.00 C ATOM 412 O ASP A 28 11.197 5.006 6.543 1.00 0.00 O ATOM 413 CB ASP A 28 8.527 4.973 7.960 1.00 0.00 C ATOM 414 CG ASP A 28 9.552 5.676 8.829 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.007 6.772 8.440 1.00 0.00 O ATOM 416 OD2 ASP A 28 9.899 5.131 9.898 1.00 0.00 O ATOM 0 H ASP A 28 7.041 4.046 6.222 1.00 0.00 H new ATOM 0 HA ASP A 28 8.843 6.224 6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.533 5.356 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.522 3.909 8.197 1.00 0.00 H new ATOM 421 N ASN A 29 10.108 3.478 5.302 1.00 0.00 N ATOM 422 CA ASN A 29 11.324 2.792 4.881 1.00 0.00 C ATOM 423 C ASN A 29 11.523 2.912 3.373 1.00 0.00 C ATOM 424 O ASN A 29 12.270 2.141 2.772 1.00 0.00 O ATOM 425 CB ASN A 29 11.267 1.317 5.283 1.00 0.00 C ATOM 426 CG ASN A 29 11.845 1.071 6.664 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.058 0.937 6.826 1.00 0.00 O ATOM 428 ND2 ASN A 29 10.977 1.011 7.667 1.00 0.00 N ATOM 0 H ASN A 29 9.247 3.076 4.931 1.00 0.00 H new ATOM 0 HA ASN A 29 12.170 3.266 5.380 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.232 0.977 5.260 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.815 0.723 4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.307 0.848 8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.980 1.128 7.486 1.00 0.00 H new ATOM 435 N GLY A 30 10.850 3.886 2.769 1.00 0.00 N ATOM 436 CA GLY A 30 10.967 4.091 1.337 1.00 0.00 C ATOM 437 C GLY A 30 10.150 3.092 0.540 1.00 0.00 C ATOM 438 O GLY A 30 10.630 2.534 -0.446 1.00 0.00 O ATOM 0 H GLY A 30 10.226 4.537 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.642 5.101 1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.015 4.013 1.046 1.00 0.00 H new ATOM 442 N MET A 31 8.913 2.866 0.970 1.00 0.00 N ATOM 443 CA MET A 31 8.028 1.927 0.290 1.00 0.00 C ATOM 444 C MET A 31 7.326 2.597 -0.887 1.00 0.00 C ATOM 445 O MET A 31 6.176 2.285 -1.197 1.00 0.00 O ATOM 446 CB MET A 31 6.991 1.370 1.267 1.00 0.00 C ATOM 447 CG MET A 31 6.478 -0.010 0.889 1.00 0.00 C ATOM 448 SD MET A 31 4.815 -0.326 1.507 1.00 0.00 S ATOM 449 CE MET A 31 3.933 1.085 0.844 1.00 0.00 C ATOM 0 H MET A 31 8.501 3.320 1.785 1.00 0.00 H new ATOM 0 HA MET A 31 8.635 1.106 -0.091 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.431 1.325 2.263 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.148 2.059 1.321 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.483 -0.110 -0.196 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.157 -0.766 1.282 1.00 0.00 H new ATOM 0 HE1 MET A 31 2.938 0.775 0.526 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.846 1.853 1.612 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.478 1.486 -0.010 1.00 0.00 H new ATOM 459 N THR A 32 8.025 3.520 -1.540 1.00 0.00 N ATOM 460 CA THR A 32 7.469 4.235 -2.682 1.00 0.00 C ATOM 461 C THR A 32 7.756 3.498 -3.985 1.00 0.00 C ATOM 462 O THR A 32 6.956 3.535 -4.920 1.00 0.00 O ATOM 463 CB THR A 32 8.033 5.665 -2.779 1.00 0.00 C ATOM 464 OG1 THR A 32 9.420 5.621 -3.130 1.00 0.00 O ATOM 465 CG2 THR A 32 7.861 6.405 -1.461 1.00 0.00 C ATOM 0 H THR A 32 8.978 3.790 -1.297 1.00 0.00 H new ATOM 0 HA THR A 32 6.391 4.288 -2.527 1.00 0.00 H new ATOM 0 HB THR A 32 7.480 6.199 -3.552 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.771 6.534 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.267 7.412 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.802 6.462 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.391 5.871 -0.672 1.00 0.00 H new ATOM 473 N SER A 33 8.903 2.829 -4.041 1.00 0.00 N ATOM 474 CA SER A 33 9.298 2.085 -5.232 1.00 0.00 C ATOM 475 C SER A 33 8.451 0.826 -5.391 1.00 0.00 C ATOM 476 O SER A 33 8.062 0.197 -4.406 1.00 0.00 O ATOM 477 CB SER A 33 10.779 1.712 -5.158 1.00 0.00 C ATOM 478 OG SER A 33 11.601 2.860 -5.278 1.00 0.00 O ATOM 0 H SER A 33 9.576 2.787 -3.275 1.00 0.00 H new ATOM 0 HA SER A 33 9.135 2.723 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.984 1.211 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.019 1.004 -5.952 1.00 0.00 H new ATOM 0 HG SER A 33 12.543 2.595 -5.226 1.00 0.00 H new ATOM 484 N LEU A 34 8.169 0.464 -6.638 1.00 0.00 N ATOM 485 CA LEU A 34 7.369 -0.720 -6.928 1.00 0.00 C ATOM 486 C LEU A 34 8.259 -1.900 -7.307 1.00 0.00 C ATOM 487 O LEU A 34 7.910 -3.055 -7.070 1.00 0.00 O ATOM 488 CB LEU A 34 6.382 -0.428 -8.060 1.00 0.00 C ATOM 489 CG LEU A 34 5.178 0.441 -7.693 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.514 0.989 -8.946 1.00 0.00 C ATOM 491 CD2 LEU A 34 4.181 -0.353 -6.862 1.00 0.00 C ATOM 0 H LEU A 34 8.483 0.974 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 34 6.814 -0.982 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.923 0.060 -8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.014 -1.378 -8.449 1.00 0.00 H new ATOM 0 HG LEU A 34 5.530 1.282 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.660 1.605 -8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.230 1.594 -9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.176 0.162 -9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.331 0.281 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.835 -1.214 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.662 -0.696 -5.946 1.00 0.00 H new ATOM 503 N GLY A 35 9.413 -1.599 -7.896 1.00 0.00 N ATOM 504 CA GLY A 35 10.336 -2.645 -8.296 1.00 0.00 C ATOM 505 C GLY A 35 10.597 -3.643 -7.186 1.00 0.00 C ATOM 506 O GLY A 35 10.336 -3.364 -6.016 1.00 0.00 O ATOM 0 H GLY A 35 9.725 -0.650 -8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.934 -3.168 -9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.279 -2.194 -8.605 1.00 0.00 H new ATOM 510 N SER A 36 11.113 -4.812 -7.553 1.00 0.00 N ATOM 511 CA SER A 36 11.404 -5.859 -6.579 1.00 0.00 C ATOM 512 C SER A 36 12.029 -5.269 -5.319 1.00 0.00 C ATOM 513 O SER A 36 11.755 -5.720 -4.206 1.00 0.00 O ATOM 514 CB SER A 36 12.342 -6.903 -7.187 1.00 0.00 C ATOM 515 OG SER A 36 12.190 -8.159 -6.548 1.00 0.00 O ATOM 0 H SER A 36 11.338 -5.058 -8.517 1.00 0.00 H new ATOM 0 HA SER A 36 10.465 -6.340 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.135 -7.006 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.375 -6.567 -7.094 1.00 0.00 H new ATOM 0 HG SER A 36 12.799 -8.809 -6.956 1.00 0.00 H new ATOM 521 N VAL A 37 12.872 -4.257 -5.501 1.00 0.00 N ATOM 522 CA VAL A 37 13.537 -3.604 -4.380 1.00 0.00 C ATOM 523 C VAL A 37 12.587 -3.439 -3.199 1.00 0.00 C ATOM 524 O VAL A 37 12.959 -3.684 -2.051 1.00 0.00 O ATOM 525 CB VAL A 37 14.086 -2.222 -4.781 1.00 0.00 C ATOM 526 CG1 VAL A 37 12.958 -1.315 -5.249 1.00 0.00 C ATOM 527 CG2 VAL A 37 14.841 -1.592 -3.621 1.00 0.00 C ATOM 0 H VAL A 37 13.110 -3.872 -6.415 1.00 0.00 H new ATOM 0 HA VAL A 37 14.368 -4.245 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 37 14.782 -2.353 -5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.365 -0.343 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.465 -1.763 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.235 -1.188 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.222 -0.616 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.169 -1.473 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.674 -2.235 -3.337 1.00 0.00 H new ATOM 537 N CYS A 38 11.360 -3.022 -3.488 1.00 0.00 N ATOM 538 CA CYS A 38 10.355 -2.823 -2.449 1.00 0.00 C ATOM 539 C CYS A 38 9.261 -3.881 -2.542 1.00 0.00 C ATOM 540 O CYS A 38 8.642 -4.238 -1.539 1.00 0.00 O ATOM 541 CB CYS A 38 9.742 -1.427 -2.564 1.00 0.00 C ATOM 542 SG CYS A 38 10.781 -0.107 -1.894 1.00 0.00 S ATOM 0 H CYS A 38 11.036 -2.815 -4.433 1.00 0.00 H new ATOM 0 HA CYS A 38 10.846 -2.918 -1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.538 -1.217 -3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.783 -1.419 -2.045 1.00 0.00 H new ATOM 0 HG CYS A 38 10.033 0.893 -1.533 1.00 0.00 H new ATOM 548 N ARG A 39 9.026 -4.378 -3.752 1.00 0.00 N ATOM 549 CA ARG A 39 8.004 -5.394 -3.976 1.00 0.00 C ATOM 550 C ARG A 39 7.982 -6.404 -2.833 1.00 0.00 C ATOM 551 O ARG A 39 6.916 -6.797 -2.360 1.00 0.00 O ATOM 552 CB ARG A 39 8.252 -6.114 -5.302 1.00 0.00 C ATOM 553 CG ARG A 39 6.988 -6.659 -5.946 1.00 0.00 C ATOM 554 CD ARG A 39 7.129 -6.757 -7.456 1.00 0.00 C ATOM 555 NE ARG A 39 7.252 -5.443 -8.081 1.00 0.00 N ATOM 556 CZ ARG A 39 7.692 -5.257 -9.321 1.00 0.00 C ATOM 557 NH1 ARG A 39 8.049 -6.295 -10.064 1.00 0.00 N ATOM 558 NH2 ARG A 39 7.776 -4.030 -9.819 1.00 0.00 N ATOM 0 H ARG A 39 9.529 -4.094 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 39 7.035 -4.896 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.734 -5.425 -5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.948 -6.936 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.765 -7.644 -5.536 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.145 -6.013 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.005 -7.358 -7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.263 -7.275 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 39 6.986 -4.623 -7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.986 -7.240 -9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.386 -6.149 -11.015 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.503 -3.229 -9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.114 -3.888 -10.771 1.00 0.00 H new ATOM 572 N GLU A 40 9.166 -6.821 -2.394 1.00 0.00 N ATOM 573 CA GLU A 40 9.281 -7.786 -1.308 1.00 0.00 C ATOM 574 C GLU A 40 8.540 -7.299 -0.066 1.00 0.00 C ATOM 575 O GLU A 40 7.839 -8.066 0.594 1.00 0.00 O ATOM 576 CB GLU A 40 10.753 -8.037 -0.972 1.00 0.00 C ATOM 577 CG GLU A 40 11.504 -8.792 -2.055 1.00 0.00 C ATOM 578 CD GLU A 40 11.207 -10.279 -2.043 1.00 0.00 C ATOM 579 OE1 GLU A 40 11.244 -10.881 -0.950 1.00 0.00 O ATOM 580 OE2 GLU A 40 10.938 -10.840 -3.126 1.00 0.00 O ATOM 0 H GLU A 40 10.058 -6.505 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 40 8.827 -8.720 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.246 -7.080 -0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.814 -8.599 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.240 -8.380 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.575 -8.638 -1.924 1.00 0.00 H new ATOM 587 N LYS A 41 8.702 -6.018 0.247 1.00 0.00 N ATOM 588 CA LYS A 41 8.049 -5.426 1.409 1.00 0.00 C ATOM 589 C LYS A 41 6.533 -5.417 1.236 1.00 0.00 C ATOM 590 O LYS A 41 5.794 -5.805 2.141 1.00 0.00 O ATOM 591 CB LYS A 41 8.556 -3.999 1.632 1.00 0.00 C ATOM 592 CG LYS A 41 10.052 -3.917 1.882 1.00 0.00 C ATOM 593 CD LYS A 41 10.376 -4.024 3.362 1.00 0.00 C ATOM 594 CE LYS A 41 10.215 -5.450 3.866 1.00 0.00 C ATOM 595 NZ LYS A 41 10.956 -5.675 5.138 1.00 0.00 N ATOM 0 H LYS A 41 9.280 -5.370 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 41 8.294 -6.033 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.308 -3.394 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.030 -3.564 2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.557 -4.716 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.436 -2.975 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.398 -3.688 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.722 -3.361 3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.157 -5.664 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.575 -6.146 3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.821 -6.658 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.969 -5.495 4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.596 -5.029 5.869 1.00 0.00 H new ATOM 609 N ILE A 42 6.078 -4.974 0.068 1.00 0.00 N ATOM 610 CA ILE A 42 4.651 -4.918 -0.223 1.00 0.00 C ATOM 611 C ILE A 42 3.988 -6.271 0.015 1.00 0.00 C ATOM 612 O ILE A 42 2.850 -6.342 0.478 1.00 0.00 O ATOM 613 CB ILE A 42 4.390 -4.480 -1.676 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.821 -3.026 -1.878 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.920 -4.657 -2.026 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.066 -2.664 -3.327 1.00 0.00 C ATOM 0 H ILE A 42 6.677 -4.649 -0.691 1.00 0.00 H new ATOM 0 HA ILE A 42 4.219 -4.180 0.454 1.00 0.00 H new ATOM 0 HB ILE A 42 4.980 -5.110 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.052 -2.368 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.731 -2.843 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.751 -4.343 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.643 -5.706 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.311 -4.049 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.368 -1.619 -3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.856 -3.297 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.151 -2.815 -3.899 1.00 0.00 H new ATOM 628 N GLU A 43 4.709 -7.342 -0.303 1.00 0.00 N ATOM 629 CA GLU A 43 4.190 -8.692 -0.122 1.00 0.00 C ATOM 630 C GLU A 43 3.814 -8.940 1.336 1.00 0.00 C ATOM 631 O GLU A 43 3.020 -9.829 1.641 1.00 0.00 O ATOM 632 CB GLU A 43 5.224 -9.725 -0.575 1.00 0.00 C ATOM 633 CG GLU A 43 5.565 -9.636 -2.054 1.00 0.00 C ATOM 634 CD GLU A 43 5.965 -10.976 -2.641 1.00 0.00 C ATOM 635 OE1 GLU A 43 6.970 -11.552 -2.174 1.00 0.00 O ATOM 636 OE2 GLU A 43 5.274 -11.448 -3.568 1.00 0.00 O ATOM 0 H GLU A 43 5.653 -7.301 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 43 3.293 -8.793 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.136 -9.594 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.847 -10.724 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.705 -9.247 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.379 -8.925 -2.193 1.00 0.00 H new ATOM 643 N ALA A 44 4.390 -8.146 2.233 1.00 0.00 N ATOM 644 CA ALA A 44 4.115 -8.278 3.658 1.00 0.00 C ATOM 645 C ALA A 44 2.909 -7.438 4.064 1.00 0.00 C ATOM 646 O ALA A 44 1.896 -7.967 4.521 1.00 0.00 O ATOM 647 CB ALA A 44 5.337 -7.877 4.471 1.00 0.00 C ATOM 0 H ALA A 44 5.050 -7.405 1.998 1.00 0.00 H new ATOM 0 HA ALA A 44 3.883 -9.323 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.117 -7.981 5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.176 -8.522 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.595 -6.841 4.253 1.00 0.00 H new ATOM 653 N VAL A 45 3.025 -6.124 3.895 1.00 0.00 N ATOM 654 CA VAL A 45 1.943 -5.210 4.244 1.00 0.00 C ATOM 655 C VAL A 45 0.609 -5.704 3.696 1.00 0.00 C ATOM 656 O VAL A 45 -0.451 -5.388 4.237 1.00 0.00 O ATOM 657 CB VAL A 45 2.213 -3.791 3.708 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.144 -3.772 2.189 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.227 -2.800 4.307 1.00 0.00 C ATOM 0 H VAL A 45 3.857 -5.669 3.519 1.00 0.00 H new ATOM 0 HA VAL A 45 1.895 -5.176 5.332 1.00 0.00 H new ATOM 0 HB VAL A 45 3.219 -3.494 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.337 -2.762 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.893 -4.452 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.152 -4.089 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.432 -1.803 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.211 -3.092 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.331 -2.794 5.392 1.00 0.00 H new ATOM 669 N ALA A 46 0.668 -6.480 2.619 1.00 0.00 N ATOM 670 CA ALA A 46 -0.535 -7.020 1.999 1.00 0.00 C ATOM 671 C ALA A 46 -1.031 -8.254 2.745 1.00 0.00 C ATOM 672 O ALA A 46 -2.234 -8.436 2.934 1.00 0.00 O ATOM 673 CB ALA A 46 -0.272 -7.354 0.538 1.00 0.00 C ATOM 0 H ALA A 46 1.537 -6.749 2.158 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.313 -6.259 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.179 -7.756 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.027 -6.451 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.525 -8.095 0.472 1.00 0.00 H new ATOM 679 N THR A 47 -0.097 -9.101 3.165 1.00 0.00 N ATOM 680 CA THR A 47 -0.439 -10.319 3.889 1.00 0.00 C ATOM 681 C THR A 47 -0.833 -10.011 5.329 1.00 0.00 C ATOM 682 O THR A 47 -1.527 -10.796 5.973 1.00 0.00 O ATOM 683 CB THR A 47 0.733 -11.318 3.892 1.00 0.00 C ATOM 684 OG1 THR A 47 0.250 -12.639 4.160 1.00 0.00 O ATOM 685 CG2 THR A 47 1.772 -10.931 4.934 1.00 0.00 C ATOM 0 H THR A 47 0.903 -8.966 3.016 1.00 0.00 H new ATOM 0 HA THR A 47 -1.287 -10.767 3.371 1.00 0.00 H new ATOM 0 HB THR A 47 1.203 -11.296 2.909 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.001 -13.268 4.159 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.590 -11.651 4.917 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.159 -9.937 4.710 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.312 -10.927 5.922 1.00 0.00 H new ATOM 693 N GLU A 48 -0.386 -8.862 5.827 1.00 0.00 N ATOM 694 CA GLU A 48 -0.693 -8.452 7.192 1.00 0.00 C ATOM 695 C GLU A 48 -2.093 -7.852 7.278 1.00 0.00 C ATOM 696 O GLU A 48 -2.824 -8.088 8.242 1.00 0.00 O ATOM 697 CB GLU A 48 0.340 -7.437 7.688 1.00 0.00 C ATOM 698 CG GLU A 48 -0.102 -6.674 8.926 1.00 0.00 C ATOM 699 CD GLU A 48 -0.636 -7.586 10.013 1.00 0.00 C ATOM 700 OE1 GLU A 48 0.059 -8.564 10.360 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.748 -7.322 10.516 1.00 0.00 O ATOM 0 H GLU A 48 0.189 -8.200 5.306 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.656 -9.337 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.273 -7.957 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.551 -6.726 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.741 -6.104 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.873 -5.955 8.649 1.00 0.00 H new ATOM 708 N LEU A 49 -2.461 -7.076 6.265 1.00 0.00 N ATOM 709 CA LEU A 49 -3.774 -6.441 6.225 1.00 0.00 C ATOM 710 C LEU A 49 -4.800 -7.354 5.561 1.00 0.00 C ATOM 711 O LEU A 49 -5.992 -7.052 5.540 1.00 0.00 O ATOM 712 CB LEU A 49 -3.697 -5.111 5.474 1.00 0.00 C ATOM 713 CG LEU A 49 -2.958 -3.979 6.189 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.860 -2.755 5.292 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.653 -3.630 7.497 1.00 0.00 C ATOM 0 H LEU A 49 -1.869 -6.871 5.460 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.091 -6.254 7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.211 -5.286 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.713 -4.778 5.261 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.948 -4.318 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.331 -1.960 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.317 -3.013 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.862 -2.414 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.113 -2.823 7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.675 -3.311 7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.670 -4.506 8.145 1.00 0.00 H new ATOM 727 N ASN A 50 -4.327 -8.473 5.021 1.00 0.00 N ATOM 728 CA ASN A 50 -5.204 -9.431 4.358 1.00 0.00 C ATOM 729 C ASN A 50 -5.803 -8.832 3.089 1.00 0.00 C ATOM 730 O ASN A 50 -6.975 -9.049 2.780 1.00 0.00 O ATOM 731 CB ASN A 50 -6.323 -9.871 5.304 1.00 0.00 C ATOM 732 CG ASN A 50 -5.809 -10.199 6.693 1.00 0.00 C ATOM 733 OD1 ASN A 50 -5.428 -9.309 7.453 1.00 0.00 O ATOM 734 ND2 ASN A 50 -5.796 -11.484 7.031 1.00 0.00 N ATOM 0 H ASN A 50 -3.342 -8.738 5.030 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.607 -10.301 4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.069 -9.079 5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.824 -10.746 4.889 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.461 -11.766 7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.121 -12.189 6.369 1.00 0.00 H new ATOM 741 N VAL A 51 -4.990 -8.078 2.356 1.00 0.00 N ATOM 742 CA VAL A 51 -5.438 -7.449 1.119 1.00 0.00 C ATOM 743 C VAL A 51 -4.590 -7.899 -0.065 1.00 0.00 C ATOM 744 O VAL A 51 -3.408 -8.210 0.087 1.00 0.00 O ATOM 745 CB VAL A 51 -5.385 -5.913 1.220 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.373 -5.411 2.262 1.00 0.00 C ATOM 747 CG2 VAL A 51 -3.973 -5.449 1.544 1.00 0.00 C ATOM 0 H VAL A 51 -4.017 -7.888 2.597 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.471 -7.760 0.961 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.668 -5.493 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.321 -4.324 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.382 -5.712 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.125 -5.837 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.954 -4.361 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.659 -5.877 2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.293 -5.776 0.757 1.00 0.00 H new ATOM 757 N ASP A 52 -5.200 -7.932 -1.244 1.00 0.00 N ATOM 758 CA ASP A 52 -4.501 -8.343 -2.456 1.00 0.00 C ATOM 759 C ASP A 52 -3.302 -7.439 -2.724 1.00 0.00 C ATOM 760 O ASP A 52 -3.440 -6.218 -2.818 1.00 0.00 O ATOM 761 CB ASP A 52 -5.453 -8.317 -3.653 1.00 0.00 C ATOM 762 CG ASP A 52 -6.428 -9.477 -3.642 1.00 0.00 C ATOM 763 OD1 ASP A 52 -6.093 -10.529 -3.059 1.00 0.00 O ATOM 764 OD2 ASP A 52 -7.528 -9.333 -4.216 1.00 0.00 O ATOM 0 H ASP A 52 -6.178 -7.679 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.140 -9.361 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.009 -7.379 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.873 -8.342 -4.576 1.00 0.00 H new ATOM 769 N CYS A 53 -2.126 -8.045 -2.846 1.00 0.00 N ATOM 770 CA CYS A 53 -0.902 -7.295 -3.102 1.00 0.00 C ATOM 771 C CYS A 53 -1.153 -6.167 -4.098 1.00 0.00 C ATOM 772 O CYS A 53 -0.537 -5.105 -4.014 1.00 0.00 O ATOM 773 CB CYS A 53 0.190 -8.226 -3.632 1.00 0.00 C ATOM 774 SG CYS A 53 -0.261 -9.106 -5.146 1.00 0.00 S ATOM 0 H CYS A 53 -1.995 -9.054 -2.772 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.570 -6.857 -2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.091 -7.642 -3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.437 -8.955 -2.860 1.00 0.00 H new ATOM 0 HG CYS A 53 0.727 -9.866 -5.517 1.00 0.00 H new ATOM 780 N GLU A 54 -2.060 -6.407 -5.039 1.00 0.00 N ATOM 781 CA GLU A 54 -2.390 -5.412 -6.052 1.00 0.00 C ATOM 782 C GLU A 54 -2.877 -4.118 -5.406 1.00 0.00 C ATOM 783 O GLU A 54 -2.422 -3.028 -5.754 1.00 0.00 O ATOM 784 CB GLU A 54 -3.460 -5.954 -7.002 1.00 0.00 C ATOM 785 CG GLU A 54 -2.976 -7.102 -7.872 1.00 0.00 C ATOM 786 CD GLU A 54 -3.773 -7.238 -9.155 1.00 0.00 C ATOM 787 OE1 GLU A 54 -4.359 -6.228 -9.598 1.00 0.00 O ATOM 788 OE2 GLU A 54 -3.811 -8.354 -9.715 1.00 0.00 O ATOM 0 H GLU A 54 -2.579 -7.281 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.485 -5.196 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.317 -6.288 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.808 -5.145 -7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.925 -6.950 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.041 -8.033 -7.308 1.00 0.00 H new ATOM 795 N ILE A 55 -3.804 -4.247 -4.463 1.00 0.00 N ATOM 796 CA ILE A 55 -4.353 -3.090 -3.768 1.00 0.00 C ATOM 797 C ILE A 55 -3.242 -2.175 -3.262 1.00 0.00 C ATOM 798 O ILE A 55 -3.331 -0.953 -3.373 1.00 0.00 O ATOM 799 CB ILE A 55 -5.235 -3.513 -2.579 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.491 -4.230 -3.077 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.609 -2.301 -1.738 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.384 -4.729 -1.963 1.00 0.00 C ATOM 0 H ILE A 55 -4.191 -5.142 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.966 -2.550 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.669 -4.203 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.060 -3.550 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.195 -5.074 -3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.233 -2.617 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.703 -1.829 -1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.159 -1.588 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.255 -5.227 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.831 -5.434 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.710 -3.887 -1.353 1.00 0.00 H new ATOM 814 N VAL A 56 -2.194 -2.777 -2.707 1.00 0.00 N ATOM 815 CA VAL A 56 -1.064 -2.017 -2.187 1.00 0.00 C ATOM 816 C VAL A 56 -0.215 -1.451 -3.319 1.00 0.00 C ATOM 817 O VAL A 56 -0.003 -0.241 -3.404 1.00 0.00 O ATOM 818 CB VAL A 56 -0.174 -2.887 -1.278 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.022 -2.089 -0.780 1.00 0.00 C ATOM 820 CG2 VAL A 56 -0.981 -3.437 -0.112 1.00 0.00 C ATOM 0 H VAL A 56 -2.105 -3.788 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.477 -1.196 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 56 0.199 -3.729 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.639 -2.719 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.612 -1.748 -1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.673 -1.227 -0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.337 -4.049 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.384 -2.611 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.801 -4.046 -0.492 1.00 0.00 H new ATOM 830 N ARG A 57 0.269 -2.333 -4.187 1.00 0.00 N ATOM 831 CA ARG A 57 1.097 -1.921 -5.315 1.00 0.00 C ATOM 832 C ARG A 57 0.517 -0.681 -5.989 1.00 0.00 C ATOM 833 O ARG A 57 1.254 0.207 -6.421 1.00 0.00 O ATOM 834 CB ARG A 57 1.215 -3.058 -6.330 1.00 0.00 C ATOM 835 CG ARG A 57 2.524 -3.051 -7.103 1.00 0.00 C ATOM 836 CD ARG A 57 2.935 -4.455 -7.518 1.00 0.00 C ATOM 837 NE ARG A 57 3.709 -4.456 -8.755 1.00 0.00 N ATOM 838 CZ ARG A 57 3.168 -4.327 -9.962 1.00 0.00 C ATOM 839 NH1 ARG A 57 1.856 -4.186 -10.091 1.00 0.00 N ATOM 840 NH2 ARG A 57 3.940 -4.337 -11.041 1.00 0.00 N ATOM 0 H ARG A 57 0.102 -3.338 -4.131 1.00 0.00 H new ATOM 0 HA ARG A 57 2.090 -1.678 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.115 -4.010 -5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.386 -2.992 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.421 -2.424 -7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.308 -2.608 -6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.524 -4.910 -6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.044 -5.070 -7.647 1.00 0.00 H new ATOM 0 HE ARG A 57 4.721 -4.562 -8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.260 -4.176 -9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.442 -4.087 -11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.950 -4.444 -10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.524 -4.238 -11.967 1.00 0.00 H new ATOM 854 N THR A 58 -0.808 -0.626 -6.077 1.00 0.00 N ATOM 855 CA THR A 58 -1.486 0.504 -6.700 1.00 0.00 C ATOM 856 C THR A 58 -1.489 1.719 -5.780 1.00 0.00 C ATOM 857 O THR A 58 -1.251 2.844 -6.221 1.00 0.00 O ATOM 858 CB THR A 58 -2.939 0.152 -7.071 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.962 -0.993 -7.931 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.621 1.324 -7.760 1.00 0.00 C ATOM 0 H THR A 58 -1.433 -1.351 -5.725 1.00 0.00 H new ATOM 0 HA THR A 58 -0.934 0.742 -7.609 1.00 0.00 H new ATOM 0 HB THR A 58 -3.480 -0.074 -6.152 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.798 -1.802 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.646 1.052 -8.012 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.629 2.185 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.078 1.577 -8.671 1.00 0.00 H new ATOM 868 N TRP A 59 -1.760 1.486 -4.501 1.00 0.00 N ATOM 869 CA TRP A 59 -1.793 2.563 -3.518 1.00 0.00 C ATOM 870 C TRP A 59 -0.497 3.367 -3.547 1.00 0.00 C ATOM 871 O TRP A 59 -0.519 4.598 -3.521 1.00 0.00 O ATOM 872 CB TRP A 59 -2.024 1.996 -2.117 1.00 0.00 C ATOM 873 CG TRP A 59 -1.927 3.028 -1.034 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.946 3.783 -0.528 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.745 3.420 -0.327 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.470 4.621 0.451 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.123 4.417 0.594 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.594 3.025 -0.381 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.208 5.022 1.451 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.501 3.627 0.470 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.097 4.616 1.377 1.00 0.00 C ATOM 0 H TRP A 59 -1.960 0.561 -4.120 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.618 3.229 -3.773 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.009 1.532 -2.079 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.293 1.210 -1.926 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.975 3.729 -0.850 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.029 5.287 0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.914 2.263 -1.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.517 5.785 2.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.539 3.330 0.436 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.830 5.067 2.030 1.00 0.00 H new ATOM 892 N ILE A 60 0.629 2.664 -3.602 1.00 0.00 N ATOM 893 CA ILE A 60 1.933 3.313 -3.636 1.00 0.00 C ATOM 894 C ILE A 60 2.035 4.282 -4.809 1.00 0.00 C ATOM 895 O ILE A 60 2.265 5.476 -4.623 1.00 0.00 O ATOM 896 CB ILE A 60 3.073 2.282 -3.737 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.082 1.377 -2.503 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.412 2.986 -3.894 1.00 0.00 C ATOM 899 CD1 ILE A 60 3.960 0.154 -2.657 1.00 0.00 C ATOM 0 H ILE A 60 0.664 1.645 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 60 2.034 3.865 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 60 2.905 1.662 -4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.423 1.953 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.062 1.058 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.207 2.244 -3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.400 3.592 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.589 3.627 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.918 -0.441 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.607 -0.444 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.988 0.465 -2.840 1.00 0.00 H new ATOM 911 N GLY A 61 1.859 3.759 -6.019 1.00 0.00 N ATOM 912 CA GLY A 61 1.932 4.592 -7.205 1.00 0.00 C ATOM 913 C GLY A 61 1.057 5.825 -7.103 1.00 0.00 C ATOM 914 O GLY A 61 1.416 6.892 -7.598 1.00 0.00 O ATOM 0 H GLY A 61 1.667 2.773 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.966 4.897 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.631 4.008 -8.075 1.00 0.00 H new ATOM 918 N ASN A 62 -0.097 5.678 -6.460 1.00 0.00 N ATOM 919 CA ASN A 62 -1.028 6.788 -6.296 1.00 0.00 C ATOM 920 C ASN A 62 -0.503 7.792 -5.275 1.00 0.00 C ATOM 921 O ASN A 62 -0.397 8.985 -5.560 1.00 0.00 O ATOM 922 CB ASN A 62 -2.400 6.270 -5.860 1.00 0.00 C ATOM 923 CG ASN A 62 -3.101 5.494 -6.958 1.00 0.00 C ATOM 924 OD1 ASN A 62 -2.477 5.076 -7.934 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.406 5.298 -6.804 1.00 0.00 N ATOM 0 H ASN A 62 -0.410 4.801 -6.044 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.126 7.292 -7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.283 5.631 -4.985 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.024 7.111 -5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.931 4.783 -7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.883 5.662 -5.979 1.00 0.00 H new ATOM 932 N ARG A 63 -0.175 7.301 -4.084 1.00 0.00 N ATOM 933 CA ARG A 63 0.339 8.155 -3.020 1.00 0.00 C ATOM 934 C ARG A 63 1.445 9.067 -3.541 1.00 0.00 C ATOM 935 O ARG A 63 1.409 10.281 -3.341 1.00 0.00 O ATOM 936 CB ARG A 63 0.867 7.303 -1.864 1.00 0.00 C ATOM 937 CG ARG A 63 0.816 8.006 -0.517 1.00 0.00 C ATOM 938 CD ARG A 63 -0.540 7.835 0.150 1.00 0.00 C ATOM 939 NE ARG A 63 -1.472 8.895 -0.223 1.00 0.00 N ATOM 940 CZ ARG A 63 -2.633 9.101 0.388 1.00 0.00 C ATOM 941 NH1 ARG A 63 -3.002 8.325 1.397 1.00 0.00 N ATOM 942 NH2 ARG A 63 -3.427 10.087 -0.010 1.00 0.00 N ATOM 0 H ARG A 63 -0.256 6.316 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.480 8.777 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.285 6.383 -1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.897 7.016 -2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.595 7.607 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.025 9.067 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.961 6.868 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.413 7.829 1.233 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.218 9.511 -0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.394 7.567 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.894 8.486 1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.146 10.687 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.319 10.245 0.460 1.00 0.00 H new ATOM 956 N ARG A 64 2.428 8.473 -4.211 1.00 0.00 N ATOM 957 CA ARG A 64 3.546 9.231 -4.759 1.00 0.00 C ATOM 958 C ARG A 64 3.054 10.490 -5.467 1.00 0.00 C ATOM 959 O ARG A 64 3.429 11.605 -5.104 1.00 0.00 O ATOM 960 CB ARG A 64 4.348 8.366 -5.733 1.00 0.00 C ATOM 961 CG ARG A 64 5.366 7.465 -5.051 1.00 0.00 C ATOM 962 CD ARG A 64 5.886 6.395 -5.999 1.00 0.00 C ATOM 963 NE ARG A 64 6.812 6.943 -6.986 1.00 0.00 N ATOM 964 CZ ARG A 64 7.195 6.288 -8.077 1.00 0.00 C ATOM 965 NH1 ARG A 64 6.733 5.069 -8.319 1.00 0.00 N ATOM 966 NH2 ARG A 64 8.041 6.853 -8.929 1.00 0.00 N ATOM 0 H ARG A 64 2.472 7.469 -4.387 1.00 0.00 H new ATOM 0 HA ARG A 64 4.191 9.528 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.659 7.750 -6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.865 9.014 -6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.199 8.066 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.910 6.992 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.387 5.615 -5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.046 5.925 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 64 7.185 7.879 -6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.082 4.632 -7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.029 4.569 -9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.398 7.791 -8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.334 6.349 -9.766 1.00 0.00 H new ATOM 980 N ARG A 65 2.213 10.303 -6.479 1.00 0.00 N ATOM 981 CA ARG A 65 1.672 11.423 -7.239 1.00 0.00 C ATOM 982 C ARG A 65 0.903 12.376 -6.329 1.00 0.00 C ATOM 983 O ARG A 65 1.140 13.584 -6.334 1.00 0.00 O ATOM 984 CB ARG A 65 0.755 10.914 -8.354 1.00 0.00 C ATOM 985 CG ARG A 65 0.509 11.935 -9.453 1.00 0.00 C ATOM 986 CD ARG A 65 -0.705 12.799 -9.148 1.00 0.00 C ATOM 987 NE ARG A 65 -1.304 13.350 -10.361 1.00 0.00 N ATOM 988 CZ ARG A 65 -2.571 13.738 -10.444 1.00 0.00 C ATOM 989 NH1 ARG A 65 -3.369 13.638 -9.390 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.043 14.229 -11.583 1.00 0.00 N ATOM 0 H ARG A 65 1.892 9.387 -6.791 1.00 0.00 H new ATOM 0 HA ARG A 65 2.506 11.966 -7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.194 10.018 -8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.201 10.621 -7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.389 12.568 -9.566 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.362 11.421 -10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.447 12.205 -8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.413 13.614 -8.486 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.717 13.442 -11.190 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.010 13.262 -8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.342 13.937 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.432 14.309 -12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.017 14.527 -11.645 1.00 0.00 H new ATOM 1004 N LYS A 66 -0.021 11.825 -5.549 1.00 0.00 N ATOM 1005 CA LYS A 66 -0.826 12.624 -4.633 1.00 0.00 C ATOM 1006 C LYS A 66 0.049 13.595 -3.846 1.00 0.00 C ATOM 1007 O LYS A 66 -0.417 14.643 -3.398 1.00 0.00 O ATOM 1008 CB LYS A 66 -1.592 11.716 -3.669 1.00 0.00 C ATOM 1009 CG LYS A 66 -2.783 11.021 -4.305 1.00 0.00 C ATOM 1010 CD LYS A 66 -4.027 11.892 -4.259 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.296 11.052 -4.267 1.00 0.00 C ATOM 1012 NZ LYS A 66 -5.633 10.571 -5.635 1.00 0.00 N ATOM 0 H LYS A 66 -0.231 10.827 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.539 13.200 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.911 10.962 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.938 12.309 -2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.550 10.772 -5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.976 10.081 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.005 12.512 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.031 12.568 -5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.170 10.197 -3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.125 11.642 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.503 10.003 -5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.778 11.387 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.853 9.987 -6.000 1.00 0.00 H new ATOM 1026 N TYR A 67 1.319 13.241 -3.683 1.00 0.00 N ATOM 1027 CA TYR A 67 2.259 14.080 -2.949 1.00 0.00 C ATOM 1028 C TYR A 67 3.020 15.002 -3.897 1.00 0.00 C ATOM 1029 O TYR A 67 2.807 16.215 -3.906 1.00 0.00 O ATOM 1030 CB TYR A 67 3.243 13.213 -2.163 1.00 0.00 C ATOM 1031 CG TYR A 67 2.755 12.844 -0.780 1.00 0.00 C ATOM 1032 CD1 TYR A 67 2.273 13.815 0.089 1.00 0.00 C ATOM 1033 CD2 TYR A 67 2.777 11.526 -0.343 1.00 0.00 C ATOM 1034 CE1 TYR A 67 1.827 13.483 1.354 1.00 0.00 C ATOM 1035 CE2 TYR A 67 2.331 11.184 0.919 1.00 0.00 C ATOM 1036 CZ TYR A 67 1.857 12.166 1.764 1.00 0.00 C ATOM 1037 OH TYR A 67 1.413 11.831 3.022 1.00 0.00 O ATOM 0 H TYR A 67 1.721 12.378 -4.049 1.00 0.00 H new ATOM 0 HA TYR A 67 1.690 14.695 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.439 12.300 -2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.191 13.743 -2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.246 14.847 -0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.149 10.755 -1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.457 14.250 2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.353 10.154 1.242 1.00 0.00 H new ATOM 0 HH TYR A 67 1.500 10.864 3.153 1.00 0.00 H new ATOM 1047 N ARG A 68 3.908 14.418 -4.694 1.00 0.00 N ATOM 1048 CA ARG A 68 4.702 15.185 -5.646 1.00 0.00 C ATOM 1049 C ARG A 68 3.861 16.278 -6.299 1.00 0.00 C ATOM 1050 O ARG A 68 4.341 17.387 -6.539 1.00 0.00 O ATOM 1051 CB ARG A 68 5.283 14.263 -6.719 1.00 0.00 C ATOM 1052 CG ARG A 68 6.219 14.968 -7.687 1.00 0.00 C ATOM 1053 CD ARG A 68 7.066 13.975 -8.467 1.00 0.00 C ATOM 1054 NE ARG A 68 8.182 14.625 -9.149 1.00 0.00 N ATOM 1055 CZ ARG A 68 9.314 14.966 -8.545 1.00 0.00 C ATOM 1056 NH1 ARG A 68 9.481 14.721 -7.253 1.00 0.00 N ATOM 1057 NH2 ARG A 68 10.284 15.554 -9.234 1.00 0.00 N ATOM 0 H ARG A 68 4.096 13.415 -4.699 1.00 0.00 H new ATOM 0 HA ARG A 68 5.520 15.657 -5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.822 13.449 -6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.465 13.813 -7.281 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.637 15.575 -8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.869 15.648 -7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.450 13.214 -7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.442 13.463 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 68 8.086 14.828 -10.144 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.738 14.269 -6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.352 14.984 -6.792 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.160 15.744 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.153 15.816 -8.769 1.00 0.00 H new ATOM 1071 N LEU A 69 2.604 15.957 -6.586 1.00 0.00 N ATOM 1072 CA LEU A 69 1.695 16.911 -7.213 1.00 0.00 C ATOM 1073 C LEU A 69 1.498 18.137 -6.328 1.00 0.00 C ATOM 1074 O LEU A 69 1.494 19.269 -6.811 1.00 0.00 O ATOM 1075 CB LEU A 69 0.346 16.249 -7.495 1.00 0.00 C ATOM 1076 CG LEU A 69 -0.685 16.320 -6.369 1.00 0.00 C ATOM 1077 CD1 LEU A 69 -1.279 17.717 -6.275 1.00 0.00 C ATOM 1078 CD2 LEU A 69 -1.782 15.286 -6.583 1.00 0.00 C ATOM 0 H LEU A 69 2.191 15.044 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 69 2.138 17.234 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.084 16.711 -8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.522 15.200 -7.734 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.182 16.097 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.011 17.748 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.486 18.437 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.767 17.969 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.507 15.351 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.282 15.477 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.344 14.288 -6.598 1.00 0.00 H new ATOM 1090 N MET A 70 1.337 17.904 -5.030 1.00 0.00 N ATOM 1091 CA MET A 70 1.142 18.990 -4.077 1.00 0.00 C ATOM 1092 C MET A 70 2.417 19.815 -3.925 1.00 0.00 C ATOM 1093 O MET A 70 2.369 20.986 -3.549 1.00 0.00 O ATOM 1094 CB MET A 70 0.716 18.435 -2.717 1.00 0.00 C ATOM 1095 CG MET A 70 -0.159 19.387 -1.918 1.00 0.00 C ATOM 1096 SD MET A 70 -0.325 18.895 -0.191 1.00 0.00 S ATOM 1097 CE MET A 70 1.309 19.286 0.430 1.00 0.00 C ATOM 0 H MET A 70 1.338 16.973 -4.614 1.00 0.00 H new ATOM 0 HA MET A 70 0.353 19.638 -4.460 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.177 17.500 -2.868 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.607 18.199 -2.135 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.264 20.390 -1.967 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.148 19.435 -2.375 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.714 18.422 0.958 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.963 19.542 -0.403 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.245 20.132 1.114 1.00 0.00 H new ATOM 1107 N GLY A 71 3.556 19.196 -4.221 1.00 0.00 N ATOM 1108 CA GLY A 71 4.826 19.888 -4.110 1.00 0.00 C ATOM 1109 C GLY A 71 5.758 19.234 -3.110 1.00 0.00 C ATOM 1110 O GLY A 71 6.536 19.913 -2.439 1.00 0.00 O ATOM 0 H GLY A 71 3.621 18.228 -4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.308 19.915 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.648 20.922 -3.814 1.00 0.00 H new ATOM 1114 N ILE A 72 5.680 17.911 -3.009 1.00 0.00 N ATOM 1115 CA ILE A 72 6.523 17.165 -2.082 1.00 0.00 C ATOM 1116 C ILE A 72 7.710 16.536 -2.804 1.00 0.00 C ATOM 1117 O ILE A 72 7.552 15.576 -3.557 1.00 0.00 O ATOM 1118 CB ILE A 72 5.728 16.059 -1.364 1.00 0.00 C ATOM 1119 CG1 ILE A 72 4.699 16.675 -0.414 1.00 0.00 C ATOM 1120 CG2 ILE A 72 6.671 15.137 -0.606 1.00 0.00 C ATOM 1121 CD1 ILE A 72 3.664 17.528 -1.115 1.00 0.00 C ATOM 0 H ILE A 72 5.042 17.334 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 72 6.887 17.878 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 72 5.197 15.470 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.193 15.876 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.218 17.283 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.095 14.360 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.369 14.676 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.226 15.713 0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.967 17.932 -0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.160 18.348 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.118 16.919 -1.836 1.00 0.00 H new ATOM 1133 N GLU A 73 8.898 17.084 -2.567 1.00 0.00 N ATOM 1134 CA GLU A 73 10.112 16.574 -3.194 1.00 0.00 C ATOM 1135 C GLU A 73 10.315 15.098 -2.867 1.00 0.00 C ATOM 1136 O GLU A 73 10.478 14.725 -1.705 1.00 0.00 O ATOM 1137 CB GLU A 73 11.327 17.382 -2.735 1.00 0.00 C ATOM 1138 CG GLU A 73 11.545 17.352 -1.231 1.00 0.00 C ATOM 1139 CD GLU A 73 12.643 18.296 -0.782 1.00 0.00 C ATOM 1140 OE1 GLU A 73 12.713 19.423 -1.316 1.00 0.00 O ATOM 1141 OE2 GLU A 73 13.432 17.908 0.105 1.00 0.00 O ATOM 0 H GLU A 73 9.045 17.880 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 73 10.003 16.677 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.218 16.996 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.207 18.417 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.615 17.617 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.796 16.337 -0.924 1.00 0.00 H new ATOM 1148 N VAL A 74 10.303 14.262 -3.900 1.00 0.00 N ATOM 1149 CA VAL A 74 10.487 12.826 -3.724 1.00 0.00 C ATOM 1150 C VAL A 74 10.894 12.159 -5.033 1.00 0.00 C ATOM 1151 O VAL A 74 10.262 12.365 -6.069 1.00 0.00 O ATOM 1152 CB VAL A 74 9.203 12.157 -3.197 1.00 0.00 C ATOM 1153 CG1 VAL A 74 8.025 12.470 -4.107 1.00 0.00 C ATOM 1154 CG2 VAL A 74 9.402 10.654 -3.067 1.00 0.00 C ATOM 0 H VAL A 74 10.168 14.554 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 74 11.283 12.696 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 74 8.984 12.559 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.127 11.989 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.871 13.548 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.231 12.097 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.486 10.197 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.646 10.234 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.217 10.454 -2.372 1.00 0.00 H new ATOM 1164 N SER A 75 11.954 11.359 -4.978 1.00 0.00 N ATOM 1165 CA SER A 75 12.449 10.664 -6.161 1.00 0.00 C ATOM 1166 C SER A 75 11.295 10.238 -7.063 1.00 0.00 C ATOM 1167 O SER A 75 10.243 9.815 -6.586 1.00 0.00 O ATOM 1168 CB SER A 75 13.270 9.440 -5.752 1.00 0.00 C ATOM 1169 OG SER A 75 13.729 8.730 -6.890 1.00 0.00 O ATOM 0 H SER A 75 12.486 11.176 -4.127 1.00 0.00 H new ATOM 0 HA SER A 75 13.087 11.352 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.121 9.754 -5.148 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.663 8.782 -5.130 1.00 0.00 H new ATOM 0 HG SER A 75 14.252 7.953 -6.602 1.00 0.00 H new ATOM 1175 N GLY A 76 11.501 10.354 -8.372 1.00 0.00 N ATOM 1176 CA GLY A 76 10.470 9.978 -9.321 1.00 0.00 C ATOM 1177 C GLY A 76 11.021 9.749 -10.715 1.00 0.00 C ATOM 1178 O GLY A 76 12.217 9.530 -10.904 1.00 0.00 O ATOM 0 H GLY A 76 12.363 10.702 -8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.976 9.070 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.711 10.760 -9.357 1.00 0.00 H new ATOM 1182 N PRO A 77 10.134 9.796 -11.720 1.00 0.00 N ATOM 1183 CA PRO A 77 10.516 9.593 -13.121 1.00 0.00 C ATOM 1184 C PRO A 77 11.347 10.748 -13.669 1.00 0.00 C ATOM 1185 O PRO A 77 10.812 11.803 -14.011 1.00 0.00 O ATOM 1186 CB PRO A 77 9.170 9.511 -13.847 1.00 0.00 C ATOM 1187 CG PRO A 77 8.226 10.270 -12.980 1.00 0.00 C ATOM 1188 CD PRO A 77 8.692 10.051 -11.568 1.00 0.00 C ATOM 0 HA PRO A 77 11.140 8.709 -13.249 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.230 9.948 -14.844 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.849 8.477 -13.971 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.231 11.330 -13.232 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.204 9.916 -13.113 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.502 10.923 -10.942 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.182 9.208 -11.103 1.00 0.00 H new ATOM 1196 N SER A 78 12.657 10.542 -13.751 1.00 0.00 N ATOM 1197 CA SER A 78 13.563 11.568 -14.254 1.00 0.00 C ATOM 1198 C SER A 78 14.348 11.056 -15.458 1.00 0.00 C ATOM 1199 O SER A 78 14.575 9.854 -15.600 1.00 0.00 O ATOM 1200 CB SER A 78 14.527 12.012 -13.153 1.00 0.00 C ATOM 1201 OG SER A 78 15.410 13.016 -13.623 1.00 0.00 O ATOM 0 H SER A 78 13.115 9.673 -13.475 1.00 0.00 H new ATOM 0 HA SER A 78 12.965 12.423 -14.569 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.962 12.390 -12.301 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.101 11.155 -12.800 1.00 0.00 H new ATOM 0 HG SER A 78 16.015 13.284 -12.900 1.00 0.00 H new ATOM 1207 N SER A 79 14.761 11.977 -16.322 1.00 0.00 N ATOM 1208 CA SER A 79 15.518 11.620 -17.516 1.00 0.00 C ATOM 1209 C SER A 79 16.624 12.637 -17.783 1.00 0.00 C ATOM 1210 O SER A 79 16.590 13.756 -17.273 1.00 0.00 O ATOM 1211 CB SER A 79 14.589 11.532 -18.728 1.00 0.00 C ATOM 1212 OG SER A 79 13.796 12.701 -18.849 1.00 0.00 O ATOM 0 H SER A 79 14.584 12.976 -16.218 1.00 0.00 H new ATOM 0 HA SER A 79 15.976 10.646 -17.347 1.00 0.00 H new ATOM 0 HB2 SER A 79 15.180 11.394 -19.634 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.943 10.659 -18.633 1.00 0.00 H new ATOM 0 HG SER A 79 13.212 12.621 -19.632 1.00 0.00 H new ATOM 1218 N GLY A 80 17.606 12.238 -18.585 1.00 0.00 N ATOM 1219 CA GLY A 80 18.709 13.124 -18.906 1.00 0.00 C ATOM 1220 C GLY A 80 19.484 12.668 -20.127 1.00 0.00 C ATOM 1221 O GLY A 80 20.093 13.481 -20.823 1.00 0.00 O ATOM 0 H GLY A 80 17.657 11.316 -19.018 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.325 14.129 -19.078 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.384 13.183 -18.052 1.00 0.00 H new TER 1225 GLY A 80