USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 516 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 11 SER OG : rot 97:sc= 0.167 USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0.0692 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HE2:sc= -0.874 X(o=-0.87,f=-0.87) USER MOD Single : A 9 THR OG1 : rot -64:sc= 0.82 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 162:sc= 1.2 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -46:sc= 1.23 USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= -0.303 (180deg=-1.16!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.497 K(o=-0.5,f=-6.5!) USER MOD Single : A 43 THR OG1 : rot 158:sc= 0.284 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.134 F(o=-0.95,f=-0.13) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -3.442 -13.104 0.474 1.00 0.00 N ATOM 9 CA SER A 2 -2.101 -12.524 0.319 1.00 0.00 C ATOM 10 C SER A 2 -2.114 -10.996 0.219 1.00 0.00 C ATOM 11 O SER A 2 -1.238 -10.334 0.783 1.00 0.00 O ATOM 12 CB SER A 2 -1.417 -13.102 -0.927 1.00 0.00 C ATOM 13 OG SER A 2 -0.034 -13.318 -0.711 1.00 0.00 O ATOM 0 HA SER A 2 -1.546 -12.788 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.894 -14.043 -1.201 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.552 -12.420 -1.766 1.00 0.00 H new ATOM 0 HG SER A 2 0.370 -13.688 -1.524 1.00 0.00 H new ATOM 19 N GLU A 3 -3.078 -10.436 -0.510 1.00 0.00 N ATOM 20 CA GLU A 3 -3.181 -9.002 -0.716 1.00 0.00 C ATOM 21 C GLU A 3 -3.594 -8.345 0.605 1.00 0.00 C ATOM 22 O GLU A 3 -2.923 -7.434 1.079 1.00 0.00 O ATOM 23 CB GLU A 3 -4.147 -8.694 -1.882 1.00 0.00 C ATOM 24 CG GLU A 3 -3.889 -9.369 -3.236 1.00 0.00 C ATOM 25 CD GLU A 3 -4.342 -10.832 -3.289 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.575 -11.068 -3.216 1.00 0.00 O ATOM 27 OE2 GLU A 3 -3.492 -11.752 -3.299 1.00 0.00 O ATOM 0 H GLU A 3 -3.811 -10.972 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.218 -8.582 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.153 -8.965 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.143 -7.616 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.405 -8.809 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.823 -9.319 -3.460 1.00 0.00 H new ATOM 34 N GLU A 4 -4.638 -8.869 1.244 1.00 0.00 N ATOM 35 CA GLU A 4 -5.134 -8.438 2.554 1.00 0.00 C ATOM 36 C GLU A 4 -4.010 -8.520 3.603 1.00 0.00 C ATOM 37 O GLU A 4 -3.797 -7.624 4.416 1.00 0.00 O ATOM 38 CB GLU A 4 -6.324 -9.337 2.944 1.00 0.00 C ATOM 39 CG GLU A 4 -7.460 -9.296 1.905 1.00 0.00 C ATOM 40 CD GLU A 4 -8.534 -10.348 2.169 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.233 -11.559 2.036 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.707 -9.975 2.412 1.00 0.00 O ATOM 0 H GLU A 4 -5.184 -9.635 0.850 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.465 -7.400 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.977 -10.364 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.711 -9.022 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.917 -8.306 1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.043 -9.449 0.910 1.00 0.00 H new ATOM 49 N HIS A 5 -3.231 -9.594 3.534 1.00 0.00 N ATOM 50 CA HIS A 5 -2.125 -9.902 4.419 1.00 0.00 C ATOM 51 C HIS A 5 -0.997 -8.899 4.223 1.00 0.00 C ATOM 52 O HIS A 5 -0.311 -8.595 5.194 1.00 0.00 O ATOM 53 CB HIS A 5 -1.684 -11.346 4.143 1.00 0.00 C ATOM 54 CG HIS A 5 -0.390 -11.835 4.738 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.323 -12.910 4.260 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.264 -11.375 5.849 1.00 0.00 C ATOM 57 CE1 HIS A 5 1.369 -13.097 5.073 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.386 -12.181 6.051 1.00 0.00 N ATOM 0 H HIS A 5 -3.366 -10.309 2.819 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.427 -9.823 5.463 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.478 -12.006 4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.618 -11.470 3.062 1.00 0.00 H new ATOM 0 HD1 HIS A 5 0.095 -13.464 3.435 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.035 -10.537 6.461 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.102 -13.882 4.957 1.00 0.00 H new ATOM 66 N PHE A 6 -0.783 -8.344 3.026 1.00 0.00 N ATOM 67 CA PHE A 6 0.209 -7.294 2.868 1.00 0.00 C ATOM 68 C PHE A 6 -0.155 -6.103 3.758 1.00 0.00 C ATOM 69 O PHE A 6 0.704 -5.567 4.461 1.00 0.00 O ATOM 70 CB PHE A 6 0.372 -6.865 1.403 1.00 0.00 C ATOM 71 CG PHE A 6 1.627 -6.063 1.074 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.680 -5.897 1.996 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.754 -5.490 -0.203 1.00 0.00 C ATOM 74 CE1 PHE A 6 3.825 -5.162 1.653 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.923 -4.791 -0.560 1.00 0.00 C ATOM 76 CZ PHE A 6 3.948 -4.595 0.378 1.00 0.00 C ATOM 0 H PHE A 6 -1.276 -8.603 2.172 1.00 0.00 H new ATOM 0 HA PHE A 6 1.175 -7.691 3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.364 -7.760 0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.498 -6.272 1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.605 -6.341 2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.949 -5.587 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.616 -5.033 2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.031 -4.403 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.821 -4.014 0.120 1.00 0.00 H new ATOM 86 N VAL A 7 -1.435 -5.725 3.773 1.00 0.00 N ATOM 87 CA VAL A 7 -1.901 -4.635 4.623 1.00 0.00 C ATOM 88 C VAL A 7 -1.621 -4.958 6.099 1.00 0.00 C ATOM 89 O VAL A 7 -1.160 -4.091 6.845 1.00 0.00 O ATOM 90 CB VAL A 7 -3.384 -4.296 4.346 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.791 -3.032 5.111 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.647 -4.064 2.847 1.00 0.00 C ATOM 0 H VAL A 7 -2.164 -6.159 3.206 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.341 -3.732 4.380 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.974 -5.150 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.837 -2.804 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.657 -3.195 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.169 -2.196 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.700 -3.829 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.035 -3.234 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.392 -4.965 2.289 1.00 0.00 H new ATOM 102 N GLU A 8 -1.855 -6.203 6.520 1.00 0.00 N ATOM 103 CA GLU A 8 -1.548 -6.634 7.878 1.00 0.00 C ATOM 104 C GLU A 8 -0.038 -6.573 8.145 1.00 0.00 C ATOM 105 O GLU A 8 0.375 -5.975 9.132 1.00 0.00 O ATOM 106 CB GLU A 8 -2.110 -8.036 8.148 1.00 0.00 C ATOM 107 CG GLU A 8 -1.961 -8.444 9.630 1.00 0.00 C ATOM 108 CD GLU A 8 -3.301 -8.624 10.343 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.108 -7.673 10.350 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.514 -9.701 10.964 1.00 0.00 O ATOM 0 H GLU A 8 -2.259 -6.932 5.932 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.032 -5.946 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.163 -8.064 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.594 -8.761 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.398 -9.375 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.378 -7.685 10.152 1.00 0.00 H new ATOM 117 N THR A 9 0.809 -7.166 7.298 1.00 0.00 N ATOM 118 CA THR A 9 2.224 -7.354 7.591 1.00 0.00 C ATOM 119 C THR A 9 2.919 -6.021 7.826 1.00 0.00 C ATOM 120 O THR A 9 3.759 -5.897 8.726 1.00 0.00 O ATOM 121 CB THR A 9 2.957 -8.114 6.468 1.00 0.00 C ATOM 122 OG1 THR A 9 2.309 -8.197 5.216 1.00 0.00 O ATOM 123 CG2 THR A 9 3.275 -9.535 6.911 1.00 0.00 C ATOM 0 H THR A 9 0.526 -7.529 6.388 1.00 0.00 H new ATOM 0 HA THR A 9 2.269 -7.954 8.500 1.00 0.00 H new ATOM 0 HB THR A 9 3.845 -7.503 6.305 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.477 -8.706 5.311 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.793 -10.059 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.912 -9.507 7.795 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.349 -10.058 7.148 1.00 0.00 H new ATOM 131 N VAL A 10 2.577 -5.025 7.013 1.00 0.00 N ATOM 132 CA VAL A 10 3.176 -3.717 7.144 1.00 0.00 C ATOM 133 C VAL A 10 2.630 -3.027 8.393 1.00 0.00 C ATOM 134 O VAL A 10 3.367 -2.254 8.991 1.00 0.00 O ATOM 135 CB VAL A 10 2.957 -2.917 5.854 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.615 -1.546 5.902 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.563 -3.629 4.644 1.00 0.00 C ATOM 0 H VAL A 10 1.891 -5.106 6.263 1.00 0.00 H new ATOM 0 HA VAL A 10 4.255 -3.797 7.279 1.00 0.00 H new ATOM 0 HB VAL A 10 1.875 -2.821 5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.430 -1.021 4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.198 -0.971 6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.689 -1.663 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.389 -3.034 3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.635 -3.754 4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.097 -4.607 4.526 1.00 0.00 H new ATOM 147 N SER A 11 1.405 -3.315 8.844 1.00 0.00 N ATOM 148 CA SER A 11 0.910 -2.789 10.106 1.00 0.00 C ATOM 149 C SER A 11 1.767 -3.278 11.270 1.00 0.00 C ATOM 150 O SER A 11 2.079 -2.498 12.175 1.00 0.00 O ATOM 151 CB SER A 11 -0.554 -3.183 10.302 1.00 0.00 C ATOM 152 OG SER A 11 -1.101 -2.579 11.452 1.00 0.00 O ATOM 0 H SER A 11 0.742 -3.911 8.348 1.00 0.00 H new ATOM 0 HA SER A 11 0.974 -1.701 10.079 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.132 -2.889 9.426 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.632 -4.267 10.387 1.00 0.00 H new ATOM 0 HG SER A 11 -1.580 -1.763 11.196 1.00 0.00 H new ATOM 158 N LEU A 12 2.170 -4.553 11.249 1.00 0.00 N ATOM 159 CA LEU A 12 2.910 -5.145 12.359 1.00 0.00 C ATOM 160 C LEU A 12 4.331 -4.580 12.453 1.00 0.00 C ATOM 161 O LEU A 12 4.920 -4.573 13.537 1.00 0.00 O ATOM 162 CB LEU A 12 2.995 -6.675 12.224 1.00 0.00 C ATOM 163 CG LEU A 12 1.657 -7.401 12.004 1.00 0.00 C ATOM 164 CD1 LEU A 12 1.904 -8.908 11.868 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.640 -7.143 13.119 1.00 0.00 C ATOM 0 H LEU A 12 1.994 -5.192 10.473 1.00 0.00 H new ATOM 0 HA LEU A 12 2.362 -4.891 13.266 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.657 -6.911 11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.461 -7.075 13.125 1.00 0.00 H new ATOM 0 HG LEU A 12 1.227 -7.000 11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.954 -9.420 11.712 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.560 -9.094 11.018 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.373 -9.283 12.777 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.282 -7.684 12.903 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.048 -7.486 14.070 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.429 -6.075 13.179 1.00 0.00 H new ATOM 177 N ALA A 13 4.909 -4.162 11.323 1.00 0.00 N ATOM 178 CA ALA A 13 6.210 -3.507 11.266 1.00 0.00 C ATOM 179 C ALA A 13 6.084 -1.980 11.338 1.00 0.00 C ATOM 180 O ALA A 13 7.067 -1.299 11.607 1.00 0.00 O ATOM 181 CB ALA A 13 6.914 -3.924 9.971 1.00 0.00 C ATOM 0 H ALA A 13 4.474 -4.274 10.407 1.00 0.00 H new ATOM 0 HA ALA A 13 6.796 -3.819 12.130 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.889 -3.441 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.044 -5.006 9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.310 -3.622 9.115 1.00 0.00 H new ATOM 187 N GLY A 14 4.898 -1.428 11.078 1.00 0.00 N ATOM 188 CA GLY A 14 4.641 -0.012 10.829 1.00 0.00 C ATOM 189 C GLY A 14 5.408 0.555 9.630 1.00 0.00 C ATOM 190 O GLY A 14 5.433 1.770 9.445 1.00 0.00 O ATOM 0 H GLY A 14 4.047 -1.988 11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.573 0.130 10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.906 0.558 11.720 1.00 0.00 H new ATOM 194 N SER A 15 6.052 -0.270 8.801 1.00 0.00 N ATOM 195 CA SER A 15 6.895 0.200 7.715 1.00 0.00 C ATOM 196 C SER A 15 7.190 -0.954 6.760 1.00 0.00 C ATOM 197 O SER A 15 6.994 -2.128 7.093 1.00 0.00 O ATOM 198 CB SER A 15 8.152 0.854 8.335 1.00 0.00 C ATOM 199 OG SER A 15 9.397 0.306 7.930 1.00 0.00 O ATOM 0 H SER A 15 5.999 -1.286 8.870 1.00 0.00 H new ATOM 0 HA SER A 15 6.402 0.960 7.109 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.146 1.915 8.087 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.079 0.780 9.420 1.00 0.00 H new ATOM 0 HG SER A 15 10.126 0.787 8.374 1.00 0.00 H new ATOM 205 N TYR A 16 7.656 -0.623 5.556 1.00 0.00 N ATOM 206 CA TYR A 16 8.109 -1.605 4.571 1.00 0.00 C ATOM 207 C TYR A 16 9.256 -1.039 3.751 1.00 0.00 C ATOM 208 O TYR A 16 9.087 0.008 3.115 1.00 0.00 O ATOM 209 CB TYR A 16 6.956 -2.012 3.652 1.00 0.00 C ATOM 210 CG TYR A 16 7.290 -3.121 2.668 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.116 -4.449 3.088 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.741 -2.864 1.353 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.326 -5.513 2.202 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.937 -3.925 0.451 1.00 0.00 C ATOM 215 CZ TYR A 16 7.720 -5.257 0.870 1.00 0.00 C ATOM 216 OH TYR A 16 7.873 -6.274 -0.018 1.00 0.00 O ATOM 0 H TYR A 16 7.730 0.342 5.234 1.00 0.00 H new ATOM 0 HA TYR A 16 8.460 -2.490 5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.115 -2.331 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.628 -1.136 3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.817 -4.652 4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.936 -1.849 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.187 -6.530 2.537 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.253 -3.722 -0.561 1.00 0.00 H new ATOM 0 HH TYR A 16 8.147 -5.912 -0.886 1.00 0.00 H new ATOM 226 N ARG A 17 10.378 -1.765 3.701 1.00 0.00 N ATOM 227 CA ARG A 17 11.643 -1.411 3.061 1.00 0.00 C ATOM 228 C ARG A 17 12.184 -0.091 3.602 1.00 0.00 C ATOM 229 O ARG A 17 12.996 -0.090 4.526 1.00 0.00 O ATOM 230 CB ARG A 17 11.492 -1.429 1.528 1.00 0.00 C ATOM 231 CG ARG A 17 11.105 -2.802 0.957 1.00 0.00 C ATOM 232 CD ARG A 17 12.280 -3.520 0.298 1.00 0.00 C ATOM 233 NE ARG A 17 13.208 -4.092 1.290 1.00 0.00 N ATOM 234 CZ ARG A 17 13.133 -5.311 1.846 1.00 0.00 C ATOM 235 NH1 ARG A 17 12.191 -6.184 1.502 1.00 0.00 N ATOM 236 NH2 ARG A 17 14.018 -5.641 2.774 1.00 0.00 N ATOM 0 H ARG A 17 10.426 -2.684 4.141 1.00 0.00 H new ATOM 0 HA ARG A 17 12.392 -2.163 3.310 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.735 -0.700 1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.431 -1.110 1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.707 -3.425 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.306 -2.675 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.903 -4.315 -0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.819 -2.821 -0.341 1.00 0.00 H new ATOM 0 HE ARG A 17 13.986 -3.501 1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.498 -5.935 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.161 -7.103 1.944 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.738 -4.974 3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.980 -6.562 3.210 1.00 0.00 H new ATOM 250 N ASP A 18 11.724 1.014 3.026 1.00 0.00 N ATOM 251 CA ASP A 18 12.147 2.384 3.303 1.00 0.00 C ATOM 252 C ASP A 18 10.943 3.300 3.582 1.00 0.00 C ATOM 253 O ASP A 18 11.110 4.489 3.834 1.00 0.00 O ATOM 254 CB ASP A 18 12.957 2.893 2.102 1.00 0.00 C ATOM 255 CG ASP A 18 14.132 3.770 2.513 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.007 5.014 2.608 1.00 0.00 O ATOM 257 OD2 ASP A 18 15.240 3.220 2.675 1.00 0.00 O ATOM 0 H ASP A 18 11.000 0.976 2.308 1.00 0.00 H new ATOM 0 HA ASP A 18 12.765 2.397 4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.327 2.041 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.301 3.459 1.440 1.00 0.00 H new ATOM 262 N TRP A 19 9.719 2.770 3.501 1.00 0.00 N ATOM 263 CA TRP A 19 8.457 3.489 3.649 1.00 0.00 C ATOM 264 C TRP A 19 7.861 3.268 5.039 1.00 0.00 C ATOM 265 O TRP A 19 8.211 2.311 5.731 1.00 0.00 O ATOM 266 CB TRP A 19 7.437 2.950 2.641 1.00 0.00 C ATOM 267 CG TRP A 19 7.778 3.012 1.183 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.839 2.431 0.574 1.00 0.00 C ATOM 269 CD2 TRP A 19 6.999 3.651 0.127 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.838 2.768 -0.762 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.719 3.508 -1.097 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.757 4.320 0.074 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.224 4.011 -2.307 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.261 4.836 -1.127 1.00 0.00 C ATOM 275 CH2 TRP A 19 5.988 4.674 -2.320 1.00 0.00 C ATOM 0 H TRP A 19 9.578 1.776 3.321 1.00 0.00 H new ATOM 0 HA TRP A 19 8.662 4.547 3.488 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.240 1.908 2.892 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.505 3.495 2.788 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.571 1.802 1.059 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.571 2.505 -1.421 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.179 4.435 0.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.788 3.890 -3.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.317 5.360 -1.139 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.594 5.061 -3.248 1.00 0.00 H new ATOM 286 N SER A 20 6.846 4.062 5.361 1.00 0.00 N ATOM 287 CA SER A 20 6.194 4.231 6.646 1.00 0.00 C ATOM 288 C SER A 20 4.709 3.942 6.445 1.00 0.00 C ATOM 289 O SER A 20 4.126 4.421 5.480 1.00 0.00 O ATOM 290 CB SER A 20 6.379 5.702 7.039 1.00 0.00 C ATOM 291 OG SER A 20 7.603 5.908 7.719 1.00 0.00 O ATOM 0 H SER A 20 6.420 4.662 4.654 1.00 0.00 H new ATOM 0 HA SER A 20 6.600 3.572 7.414 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.349 6.325 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.551 6.017 7.675 1.00 0.00 H new ATOM 0 HG SER A 20 7.691 6.855 7.954 1.00 0.00 H new ATOM 297 N TYR A 21 4.098 3.151 7.318 1.00 0.00 N ATOM 298 CA TYR A 21 2.647 2.958 7.402 1.00 0.00 C ATOM 299 C TYR A 21 1.918 4.286 7.729 1.00 0.00 C ATOM 300 O TYR A 21 2.542 5.250 8.199 1.00 0.00 O ATOM 301 CB TYR A 21 2.439 1.862 8.464 1.00 0.00 C ATOM 302 CG TYR A 21 1.059 1.276 8.677 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.610 0.179 7.915 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.270 1.758 9.734 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.611 -0.446 8.226 1.00 0.00 C ATOM 306 CE2 TYR A 21 -0.957 1.152 10.042 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.374 0.015 9.323 1.00 0.00 C ATOM 308 OH TYR A 21 -2.577 -0.552 9.601 1.00 0.00 O ATOM 0 H TYR A 21 4.611 2.607 8.011 1.00 0.00 H new ATOM 0 HA TYR A 21 2.214 2.646 6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.108 1.038 8.217 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.772 2.267 9.420 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.205 -0.183 7.090 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.611 2.602 10.315 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.964 -1.274 7.629 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.579 1.556 10.827 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.969 -0.118 10.387 1.00 0.00 H new ATOM 318 N SER A 22 0.608 4.337 7.478 1.00 0.00 N ATOM 319 CA SER A 22 -0.352 5.378 7.853 1.00 0.00 C ATOM 320 C SER A 22 -1.600 4.653 8.387 1.00 0.00 C ATOM 321 O SER A 22 -1.554 4.033 9.445 1.00 0.00 O ATOM 322 CB SER A 22 -0.606 6.368 6.690 1.00 0.00 C ATOM 323 OG SER A 22 -1.627 7.305 7.013 1.00 0.00 O ATOM 0 H SER A 22 0.152 3.585 6.962 1.00 0.00 H new ATOM 0 HA SER A 22 0.030 6.026 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.316 6.900 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.890 5.814 5.795 1.00 0.00 H new ATOM 0 HG SER A 22 -1.570 8.073 6.407 1.00 0.00 H new ATOM 329 N GLY A 23 -2.734 4.703 7.686 1.00 0.00 N ATOM 330 CA GLY A 23 -3.996 4.132 8.128 1.00 0.00 C ATOM 331 C GLY A 23 -5.129 5.140 8.202 1.00 0.00 C ATOM 332 O GLY A 23 -6.236 4.790 8.607 1.00 0.00 O ATOM 0 H GLY A 23 -2.796 5.154 6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.280 3.329 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.857 3.682 9.111 1.00 0.00 H new ATOM 336 N GLN A 24 -4.884 6.379 7.788 1.00 0.00 N ATOM 337 CA GLN A 24 -5.920 7.378 7.648 1.00 0.00 C ATOM 338 C GLN A 24 -6.814 6.986 6.483 1.00 0.00 C ATOM 339 O GLN A 24 -6.348 6.749 5.370 1.00 0.00 O ATOM 340 CB GLN A 24 -5.224 8.730 7.425 1.00 0.00 C ATOM 341 CG GLN A 24 -6.152 9.933 7.198 1.00 0.00 C ATOM 342 CD GLN A 24 -6.494 10.673 8.492 1.00 0.00 C ATOM 343 OE1 GLN A 24 -5.665 11.370 9.068 1.00 0.00 O ATOM 344 NE2 GLN A 24 -7.695 10.554 9.026 1.00 0.00 N ATOM 0 H GLN A 24 -3.953 6.713 7.540 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.551 7.453 8.533 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.594 8.940 8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.562 8.638 6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.677 10.626 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.073 9.591 6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.403 9.980 8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.916 11.036 9.898 1.00 0.00 H new ATOM 353 N ARG A 25 -8.113 6.891 6.755 1.00 0.00 N ATOM 354 CA ARG A 25 -9.113 6.549 5.755 1.00 0.00 C ATOM 355 C ARG A 25 -9.447 7.822 4.998 1.00 0.00 C ATOM 356 O ARG A 25 -9.600 8.873 5.631 1.00 0.00 O ATOM 357 CB ARG A 25 -10.370 5.960 6.410 1.00 0.00 C ATOM 358 CG ARG A 25 -10.083 4.896 7.488 1.00 0.00 C ATOM 359 CD ARG A 25 -10.491 3.483 7.099 1.00 0.00 C ATOM 360 NE ARG A 25 -11.823 3.099 7.587 1.00 0.00 N ATOM 361 CZ ARG A 25 -12.087 2.415 8.706 1.00 0.00 C ATOM 362 NH1 ARG A 25 -11.103 1.987 9.494 1.00 0.00 N ATOM 363 NH2 ARG A 25 -13.346 2.145 9.021 1.00 0.00 N ATOM 0 H ARG A 25 -8.501 7.051 7.684 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.725 5.789 5.077 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.945 6.770 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.995 5.516 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.017 4.904 7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.606 5.173 8.403 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.472 3.395 6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.754 2.781 7.489 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.622 3.381 7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.132 2.179 9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.320 1.467 10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.102 2.458 8.412 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.558 1.624 9.872 1.00 0.00 H new ATOM 377 N THR A 26 -9.535 7.745 3.681 1.00 0.00 N ATOM 378 CA THR A 26 -9.835 8.883 2.838 1.00 0.00 C ATOM 379 C THR A 26 -10.723 8.418 1.684 1.00 0.00 C ATOM 380 O THR A 26 -10.925 7.215 1.488 1.00 0.00 O ATOM 381 CB THR A 26 -8.524 9.524 2.343 1.00 0.00 C ATOM 382 OG1 THR A 26 -7.850 8.695 1.410 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.528 9.885 3.451 1.00 0.00 C ATOM 0 H THR A 26 -9.398 6.877 3.163 1.00 0.00 H new ATOM 0 HA THR A 26 -10.375 9.647 3.397 1.00 0.00 H new ATOM 0 HB THR A 26 -8.856 10.451 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.825 7.775 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.637 10.330 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.988 10.598 4.135 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.250 8.984 3.998 1.00 0.00 H new ATOM 391 N GLU A 27 -11.175 9.363 0.860 1.00 0.00 N ATOM 392 CA GLU A 27 -11.947 9.095 -0.351 1.00 0.00 C ATOM 393 C GLU A 27 -11.208 8.155 -1.311 1.00 0.00 C ATOM 394 O GLU A 27 -11.823 7.387 -2.051 1.00 0.00 O ATOM 395 CB GLU A 27 -12.282 10.442 -1.005 1.00 0.00 C ATOM 396 CG GLU A 27 -11.183 11.071 -1.871 1.00 0.00 C ATOM 397 CD GLU A 27 -11.441 12.548 -2.182 1.00 0.00 C ATOM 398 OE1 GLU A 27 -12.041 13.255 -1.337 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.973 13.029 -3.237 1.00 0.00 O ATOM 0 H GLU A 27 -11.011 10.357 1.020 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.868 8.574 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.170 10.311 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.543 11.149 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.225 10.975 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.103 10.517 -2.806 1.00 0.00 H new ATOM 406 N LEU A 28 -9.875 8.192 -1.273 1.00 0.00 N ATOM 407 CA LEU A 28 -9.009 7.411 -2.135 1.00 0.00 C ATOM 408 C LEU A 28 -8.691 6.048 -1.558 1.00 0.00 C ATOM 409 O LEU A 28 -8.026 5.272 -2.243 1.00 0.00 O ATOM 410 CB LEU A 28 -7.740 8.228 -2.430 1.00 0.00 C ATOM 411 CG LEU A 28 -8.047 9.418 -3.362 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.921 10.446 -3.330 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.309 8.926 -4.785 1.00 0.00 C ATOM 0 H LEU A 28 -9.361 8.785 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.532 7.209 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.315 8.595 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.990 7.586 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.949 9.912 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.165 11.273 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.800 10.822 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.992 9.979 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.524 9.778 -5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.428 8.402 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.162 8.247 -4.784 1.00 0.00 H new ATOM 425 N GLY A 29 -9.184 5.735 -0.363 1.00 0.00 N ATOM 426 CA GLY A 29 -8.821 4.532 0.338 1.00 0.00 C ATOM 427 C GLY A 29 -8.103 4.857 1.640 1.00 0.00 C ATOM 428 O GLY A 29 -8.006 6.021 2.044 1.00 0.00 O ATOM 0 H GLY A 29 -9.851 6.321 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.715 3.945 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.178 3.919 -0.293 1.00 0.00 H new ATOM 432 N VAL A 30 -7.630 3.821 2.325 1.00 0.00 N ATOM 433 CA VAL A 30 -6.792 3.961 3.499 1.00 0.00 C ATOM 434 C VAL A 30 -5.355 4.193 3.049 1.00 0.00 C ATOM 435 O VAL A 30 -4.780 3.334 2.369 1.00 0.00 O ATOM 436 CB VAL A 30 -6.878 2.682 4.343 1.00 0.00 C ATOM 437 CG1 VAL A 30 -6.040 2.755 5.616 1.00 0.00 C ATOM 438 CG2 VAL A 30 -8.316 2.418 4.757 1.00 0.00 C ATOM 0 H VAL A 30 -7.823 2.852 2.073 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.127 4.805 4.102 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.492 1.881 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.140 1.823 6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.993 2.911 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.387 3.584 6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.361 1.508 5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.685 3.258 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.935 2.299 3.868 1.00 0.00 H new ATOM 448 N GLU A 31 -4.782 5.336 3.428 1.00 0.00 N ATOM 449 CA GLU A 31 -3.368 5.628 3.241 1.00 0.00 C ATOM 450 C GLU A 31 -2.533 4.447 3.734 1.00 0.00 C ATOM 451 O GLU A 31 -2.570 4.103 4.920 1.00 0.00 O ATOM 452 CB GLU A 31 -2.959 6.876 4.024 1.00 0.00 C ATOM 453 CG GLU A 31 -3.531 8.200 3.502 1.00 0.00 C ATOM 454 CD GLU A 31 -3.013 9.409 4.298 1.00 0.00 C ATOM 455 OE1 GLU A 31 -2.234 9.241 5.260 1.00 0.00 O ATOM 456 OE2 GLU A 31 -3.418 10.544 3.933 1.00 0.00 O ATOM 0 H GLU A 31 -5.297 6.092 3.879 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.195 5.801 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.269 6.750 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.871 6.944 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.267 8.319 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.619 8.170 3.556 1.00 0.00 H new ATOM 463 N PHE A 32 -1.826 3.809 2.819 1.00 0.00 N ATOM 464 CA PHE A 32 -1.022 2.630 3.050 1.00 0.00 C ATOM 465 C PHE A 32 0.349 3.025 3.537 1.00 0.00 C ATOM 466 O PHE A 32 0.580 3.528 4.628 1.00 0.00 O ATOM 467 CB PHE A 32 -1.201 1.590 1.923 1.00 0.00 C ATOM 468 CG PHE A 32 -0.697 0.166 2.211 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.607 -0.351 3.524 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.321 -0.674 1.141 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.057 -1.621 3.763 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.225 -1.951 1.380 1.00 0.00 C ATOM 473 CZ PHE A 32 0.389 -2.415 2.697 1.00 0.00 C ATOM 0 H PHE A 32 -1.798 4.117 1.847 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.374 2.031 3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.262 1.533 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.688 1.959 1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.966 0.239 4.354 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.454 -0.333 0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.023 -1.989 4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.518 -2.575 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.853 -3.372 2.885 1.00 0.00 H new ATOM 483 N LEU A 33 1.271 2.742 2.673 1.00 0.00 N ATOM 484 CA LEU A 33 2.662 3.107 2.782 1.00 0.00 C ATOM 485 C LEU A 33 2.833 4.517 2.269 1.00 0.00 C ATOM 486 O LEU A 33 2.327 4.878 1.209 1.00 0.00 O ATOM 487 CB LEU A 33 3.609 2.177 2.017 1.00 0.00 C ATOM 488 CG LEU A 33 3.944 0.853 2.712 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.518 1.086 4.118 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.744 -0.074 2.667 1.00 0.00 C ATOM 0 H LEU A 33 1.069 2.220 1.820 1.00 0.00 H new ATOM 0 HA LEU A 33 2.930 3.022 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.165 1.955 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.539 2.712 1.827 1.00 0.00 H new ATOM 0 HG LEU A 33 4.742 0.345 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.744 0.126 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.430 1.678 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.787 1.619 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.991 -1.013 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.902 0.395 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.476 -0.272 1.629 1.00 0.00 H new ATOM 502 N LYS A 34 3.682 5.267 2.949 1.00 0.00 N ATOM 503 CA LYS A 34 4.149 6.583 2.582 1.00 0.00 C ATOM 504 C LYS A 34 5.666 6.604 2.563 1.00 0.00 C ATOM 505 O LYS A 34 6.306 6.080 3.475 1.00 0.00 O ATOM 506 CB LYS A 34 3.673 7.603 3.615 1.00 0.00 C ATOM 507 CG LYS A 34 2.200 7.971 3.434 1.00 0.00 C ATOM 508 CD LYS A 34 1.842 9.359 3.987 1.00 0.00 C ATOM 509 CE LYS A 34 2.730 10.506 3.454 1.00 0.00 C ATOM 510 NZ LYS A 34 3.859 10.823 4.361 1.00 0.00 N ATOM 0 H LYS A 34 4.087 4.948 3.829 1.00 0.00 H new ATOM 0 HA LYS A 34 3.757 6.830 1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.824 7.200 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.282 8.504 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.953 7.937 2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.583 7.221 3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.802 9.577 3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.916 9.334 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.122 10.232 2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.119 11.398 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.865 11.843 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.750 10.294 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.755 10.555 3.907 1.00 0.00 H new ATOM 524 N ARG A 35 6.248 7.260 1.572 1.00 0.00 N ATOM 525 CA ARG A 35 7.659 7.611 1.540 1.00 0.00 C ATOM 526 C ARG A 35 7.758 8.752 0.562 1.00 0.00 C ATOM 527 O ARG A 35 7.170 8.628 -0.495 1.00 0.00 O ATOM 528 CB ARG A 35 8.475 6.433 0.987 1.00 0.00 C ATOM 529 CG ARG A 35 9.979 6.623 1.162 1.00 0.00 C ATOM 530 CD ARG A 35 10.792 5.584 0.401 1.00 0.00 C ATOM 531 NE ARG A 35 12.221 5.927 0.481 1.00 0.00 N ATOM 532 CZ ARG A 35 13.078 6.192 -0.511 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.749 6.023 -1.790 1.00 0.00 N ATOM 534 NH2 ARG A 35 14.296 6.625 -0.206 1.00 0.00 N ATOM 0 H ARG A 35 5.738 7.572 0.745 1.00 0.00 H new ATOM 0 HA ARG A 35 8.034 7.863 2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.168 5.516 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.250 6.306 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.258 7.620 0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.228 6.569 2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.621 4.593 0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.473 5.548 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 35 12.611 5.968 1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.820 5.682 -2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.426 6.234 -2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.563 6.750 0.770 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.964 6.833 -0.948 1.00 0.00 H new ATOM 548 N GLY A 36 8.541 9.796 0.781 1.00 0.00 N ATOM 549 CA GLY A 36 8.978 10.583 -0.370 1.00 0.00 C ATOM 550 C GLY A 36 7.975 11.445 -1.069 1.00 0.00 C ATOM 551 O GLY A 36 8.189 11.809 -2.221 1.00 0.00 O ATOM 0 H GLY A 36 8.875 10.110 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.795 11.225 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.391 9.893 -1.105 1.00 0.00 H new ATOM 555 N ASP A 37 6.909 11.735 -0.356 1.00 0.00 N ATOM 556 CA ASP A 37 5.696 12.346 -0.840 1.00 0.00 C ATOM 557 C ASP A 37 4.807 11.378 -1.625 1.00 0.00 C ATOM 558 O ASP A 37 3.703 11.703 -2.046 1.00 0.00 O ATOM 559 CB ASP A 37 5.954 13.648 -1.625 1.00 0.00 C ATOM 560 CG ASP A 37 4.934 14.763 -1.382 1.00 0.00 C ATOM 561 OD1 ASP A 37 3.755 14.452 -1.099 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.342 15.943 -1.282 1.00 0.00 O ATOM 0 H ASP A 37 6.867 11.536 0.643 1.00 0.00 H new ATOM 0 HA ASP A 37 5.138 12.622 0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.945 14.020 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.969 13.416 -2.690 1.00 0.00 H new ATOM 567 N LYS A 38 5.259 10.141 -1.781 1.00 0.00 N ATOM 568 CA LYS A 38 4.541 9.048 -2.417 1.00 0.00 C ATOM 569 C LYS A 38 3.589 8.498 -1.364 1.00 0.00 C ATOM 570 O LYS A 38 3.990 8.343 -0.205 1.00 0.00 O ATOM 571 CB LYS A 38 5.538 7.960 -2.881 1.00 0.00 C ATOM 572 CG LYS A 38 6.789 8.471 -3.610 1.00 0.00 C ATOM 573 CD LYS A 38 6.540 8.914 -5.051 1.00 0.00 C ATOM 574 CE LYS A 38 6.196 7.748 -5.983 1.00 0.00 C ATOM 575 NZ LYS A 38 6.632 8.013 -7.366 1.00 0.00 N ATOM 0 H LYS A 38 6.182 9.860 -1.451 1.00 0.00 H new ATOM 0 HA LYS A 38 3.995 9.381 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.856 7.389 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.013 7.269 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.204 9.310 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.543 7.684 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.725 9.638 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.427 9.424 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.672 6.838 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.120 7.574 -5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.383 7.203 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.159 8.868 -7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.662 8.155 -7.384 1.00 0.00 H new ATOM 589 N ILE A 39 2.365 8.151 -1.762 1.00 0.00 N ATOM 590 CA ILE A 39 1.327 7.620 -0.869 1.00 0.00 C ATOM 591 C ILE A 39 0.622 6.490 -1.605 1.00 0.00 C ATOM 592 O ILE A 39 -0.026 6.722 -2.621 1.00 0.00 O ATOM 593 CB ILE A 39 0.331 8.706 -0.392 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.077 9.938 0.161 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.608 8.065 0.654 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.179 10.995 0.802 1.00 0.00 C ATOM 0 H ILE A 39 2.058 8.231 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 39 1.792 7.247 0.044 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.265 9.071 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.805 9.603 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.637 10.401 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.321 8.810 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.147 7.234 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.019 7.698 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.791 11.823 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.533 11.364 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.362 10.554 1.639 1.00 0.00 H new ATOM 608 N VAL A 40 0.787 5.266 -1.127 1.00 0.00 N ATOM 609 CA VAL A 40 0.068 4.105 -1.616 1.00 0.00 C ATOM 610 C VAL A 40 -1.311 4.140 -0.973 1.00 0.00 C ATOM 611 O VAL A 40 -1.458 4.499 0.192 1.00 0.00 O ATOM 612 CB VAL A 40 0.859 2.814 -1.279 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.184 1.549 -1.835 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.286 2.830 -1.836 1.00 0.00 C ATOM 0 H VAL A 40 1.439 5.050 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.043 4.115 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 40 0.879 2.791 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.778 0.674 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.814 1.452 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.109 1.623 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.791 1.902 -1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.252 2.926 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.832 3.674 -1.414 1.00 0.00 H new ATOM 624 N TYR A 41 -2.319 3.727 -1.730 1.00 0.00 N ATOM 625 CA TYR A 41 -3.686 3.565 -1.278 1.00 0.00 C ATOM 626 C TYR A 41 -4.104 2.145 -1.616 1.00 0.00 C ATOM 627 O TYR A 41 -4.052 1.776 -2.781 1.00 0.00 O ATOM 628 CB TYR A 41 -4.599 4.584 -1.984 1.00 0.00 C ATOM 629 CG TYR A 41 -4.316 5.981 -1.501 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.301 6.703 -2.151 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.010 6.528 -0.396 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.040 8.026 -1.784 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.734 7.856 -0.014 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.762 8.607 -0.721 1.00 0.00 C ATOM 635 OH TYR A 41 -3.476 9.885 -0.366 1.00 0.00 O ATOM 0 H TYR A 41 -2.197 3.487 -2.714 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.767 3.740 -0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.447 4.529 -3.062 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.643 4.334 -1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.723 6.236 -2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.737 5.939 0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.291 8.599 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.262 8.301 0.816 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.052 10.154 0.380 1.00 0.00 H new ATOM 645 N HIS A 42 -4.491 1.335 -0.628 1.00 0.00 N ATOM 646 CA HIS A 42 -5.118 0.050 -0.907 1.00 0.00 C ATOM 647 C HIS A 42 -6.628 0.165 -1.086 1.00 0.00 C ATOM 648 O HIS A 42 -7.184 1.241 -0.860 1.00 0.00 O ATOM 649 CB HIS A 42 -4.646 -1.011 0.094 1.00 0.00 C ATOM 650 CG HIS A 42 -5.352 -0.977 1.424 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.628 -1.427 1.692 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.868 -0.410 2.565 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.945 -1.078 2.947 1.00 0.00 C ATOM 654 NE2 HIS A 42 -5.889 -0.479 3.523 1.00 0.00 N ATOM 0 H HIS A 42 -4.381 1.548 0.363 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.781 -0.305 -1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.783 -1.997 -0.350 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.577 -0.883 0.262 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -7.228 -1.938 1.045 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.884 0.013 2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.900 -1.251 3.421 1.00 0.00 H new ATOM 662 N THR A 43 -7.326 -0.916 -1.410 1.00 0.00 N ATOM 663 CA THR A 43 -8.782 -0.953 -1.333 1.00 0.00 C ATOM 664 C THR A 43 -9.199 -1.785 -0.134 1.00 0.00 C ATOM 665 O THR A 43 -8.564 -2.778 0.220 1.00 0.00 O ATOM 666 CB THR A 43 -9.378 -1.418 -2.660 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.807 -2.637 -3.052 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.070 -0.355 -3.709 1.00 0.00 C ATOM 0 H THR A 43 -6.903 -1.787 -1.732 1.00 0.00 H new ATOM 0 HA THR A 43 -9.185 0.047 -1.174 1.00 0.00 H new ATOM 0 HB THR A 43 -10.453 -1.560 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.409 -3.094 -3.676 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.485 -0.661 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.514 0.593 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.990 -0.237 -3.801 1.00 0.00 H new ATOM 676 N LEU A 44 -10.202 -1.294 0.588 1.00 0.00 N ATOM 677 CA LEU A 44 -10.684 -1.890 1.830 1.00 0.00 C ATOM 678 C LEU A 44 -11.359 -3.247 1.615 1.00 0.00 C ATOM 679 O LEU A 44 -11.618 -3.964 2.578 1.00 0.00 O ATOM 680 CB LEU A 44 -11.672 -0.934 2.502 1.00 0.00 C ATOM 681 CG LEU A 44 -10.996 0.390 2.914 1.00 0.00 C ATOM 682 CD1 LEU A 44 -11.307 1.513 1.938 1.00 0.00 C ATOM 683 CD2 LEU A 44 -11.389 0.784 4.345 1.00 0.00 C ATOM 0 H LEU A 44 -10.713 -0.453 0.320 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.814 -2.059 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.496 -0.725 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.100 -1.413 3.382 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.919 0.226 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.812 2.427 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.949 1.242 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.384 1.677 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.900 1.721 4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.470 0.910 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.077 0.002 5.037 1.00 0.00 H new ATOM 695 N GLU A 45 -11.658 -3.586 0.369 1.00 0.00 N ATOM 696 CA GLU A 45 -12.387 -4.777 -0.046 1.00 0.00 C ATOM 697 C GLU A 45 -11.401 -5.756 -0.686 1.00 0.00 C ATOM 698 O GLU A 45 -10.191 -5.535 -0.618 1.00 0.00 O ATOM 699 CB GLU A 45 -13.537 -4.365 -0.981 1.00 0.00 C ATOM 700 CG GLU A 45 -14.400 -3.281 -0.311 1.00 0.00 C ATOM 701 CD GLU A 45 -15.682 -2.954 -1.070 1.00 0.00 C ATOM 702 OE1 GLU A 45 -16.718 -3.621 -0.787 1.00 0.00 O ATOM 703 OE2 GLU A 45 -15.697 -1.929 -1.784 1.00 0.00 O ATOM 0 H GLU A 45 -11.383 -3.006 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.842 -5.287 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.135 -3.990 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.151 -5.233 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.659 -3.608 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.808 -2.371 -0.208 1.00 0.00 H new ATOM 710 N SER A 46 -11.886 -6.855 -1.267 1.00 0.00 N ATOM 711 CA SER A 46 -11.039 -7.865 -1.871 1.00 0.00 C ATOM 712 C SER A 46 -11.426 -8.148 -3.325 1.00 0.00 C ATOM 713 O SER A 46 -12.620 -8.193 -3.638 1.00 0.00 O ATOM 714 CB SER A 46 -11.086 -9.136 -1.039 1.00 0.00 C ATOM 715 OG SER A 46 -12.383 -9.439 -0.550 1.00 0.00 O ATOM 0 H SER A 46 -12.883 -7.063 -1.328 1.00 0.00 H new ATOM 0 HA SER A 46 -10.018 -7.483 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.729 -9.970 -1.642 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.402 -9.036 -0.196 1.00 0.00 H new ATOM 0 HG SER A 46 -12.350 -10.266 -0.025 1.00 0.00 H new ATOM 721 N PRO A 47 -10.457 -8.468 -4.200 1.00 0.00 N ATOM 722 CA PRO A 47 -9.027 -8.431 -3.922 1.00 0.00 C ATOM 723 C PRO A 47 -8.573 -6.988 -3.785 1.00 0.00 C ATOM 724 O PRO A 47 -9.102 -6.088 -4.441 1.00 0.00 O ATOM 725 CB PRO A 47 -8.332 -9.073 -5.109 1.00 0.00 C ATOM 726 CG PRO A 47 -9.315 -8.779 -6.241 1.00 0.00 C ATOM 727 CD PRO A 47 -10.696 -8.762 -5.598 1.00 0.00 C ATOM 0 HA PRO A 47 -8.792 -8.957 -2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.351 -8.635 -5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.181 -10.143 -4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.092 -7.823 -6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.255 -9.541 -7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.335 -8.007 -6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.199 -9.721 -5.719 1.00 0.00 H new ATOM 735 N VAL A 48 -7.586 -6.808 -2.920 1.00 0.00 N ATOM 736 CA VAL A 48 -7.030 -5.515 -2.619 1.00 0.00 C ATOM 737 C VAL A 48 -6.250 -5.069 -3.865 1.00 0.00 C ATOM 738 O VAL A 48 -5.293 -5.725 -4.311 1.00 0.00 O ATOM 739 CB VAL A 48 -6.212 -5.617 -1.323 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.552 -4.298 -0.953 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.051 -6.085 -0.130 1.00 0.00 C ATOM 0 H VAL A 48 -7.149 -7.572 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.776 -4.746 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.445 -6.362 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.985 -4.421 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.879 -3.991 -1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.318 -3.536 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.422 -6.139 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.863 -5.379 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.466 -7.071 -0.341 1.00 0.00 H new ATOM 751 N GLU A 49 -6.720 -3.993 -4.483 1.00 0.00 N ATOM 752 CA GLU A 49 -5.937 -3.179 -5.386 1.00 0.00 C ATOM 753 C GLU A 49 -5.101 -2.226 -4.515 1.00 0.00 C ATOM 754 O GLU A 49 -5.446 -1.939 -3.366 1.00 0.00 O ATOM 755 CB GLU A 49 -6.871 -2.504 -6.420 1.00 0.00 C ATOM 756 CG GLU A 49 -7.428 -3.573 -7.395 1.00 0.00 C ATOM 757 CD GLU A 49 -7.619 -3.129 -8.862 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.638 -2.529 -9.248 1.00 0.00 O ATOM 759 OE2 GLU A 49 -6.796 -3.595 -9.703 1.00 0.00 O ATOM 0 H GLU A 49 -7.677 -3.660 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.237 -3.752 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.692 -2.001 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.325 -1.741 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.756 -4.431 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.390 -3.916 -7.013 1.00 0.00 H new ATOM 766 N PHE A 50 -3.961 -1.789 -5.043 1.00 0.00 N ATOM 767 CA PHE A 50 -2.954 -0.969 -4.393 1.00 0.00 C ATOM 768 C PHE A 50 -2.559 0.117 -5.381 1.00 0.00 C ATOM 769 O PHE A 50 -1.740 -0.109 -6.267 1.00 0.00 O ATOM 770 CB PHE A 50 -1.710 -1.783 -4.028 1.00 0.00 C ATOM 771 CG PHE A 50 -1.900 -2.941 -3.070 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.928 -2.739 -1.680 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.994 -4.246 -3.581 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.051 -3.837 -0.809 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.140 -5.346 -2.719 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.163 -5.140 -1.328 1.00 0.00 C ATOM 0 H PHE A 50 -3.703 -2.017 -6.003 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.362 -0.558 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.279 -2.174 -4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.976 -1.103 -3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.855 -1.739 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.954 -4.406 -4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.059 -3.680 0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.234 -6.344 -3.122 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.267 -5.981 -0.659 1.00 0.00 H new ATOM 786 N HIS A 51 -3.177 1.278 -5.294 1.00 0.00 N ATOM 787 CA HIS A 51 -2.882 2.401 -6.160 1.00 0.00 C ATOM 788 C HIS A 51 -1.690 3.160 -5.587 1.00 0.00 C ATOM 789 O HIS A 51 -1.454 3.152 -4.378 1.00 0.00 O ATOM 790 CB HIS A 51 -4.108 3.318 -6.269 1.00 0.00 C ATOM 791 CG HIS A 51 -5.451 2.609 -6.293 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.711 1.370 -6.815 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.631 3.062 -5.745 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.059 1.081 -6.612 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.573 2.126 -5.945 1.00 0.00 N flip ATOM 0 H HIS A 51 -3.909 1.470 -4.610 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.637 2.046 -7.161 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.097 4.012 -5.429 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.015 3.915 -7.176 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.774 4.007 -5.242 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.585 0.193 -6.928 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.542 2.199 -5.634 1.00 0.00 H new ATOM 803 N LEU A 52 -0.961 3.873 -6.434 1.00 0.00 N ATOM 804 CA LEU A 52 0.106 4.793 -6.059 1.00 0.00 C ATOM 805 C LEU A 52 0.265 5.758 -7.212 1.00 0.00 C ATOM 806 O LEU A 52 0.241 5.309 -8.349 1.00 0.00 O ATOM 807 CB LEU A 52 1.416 4.018 -5.911 1.00 0.00 C ATOM 808 CG LEU A 52 2.645 4.896 -5.628 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.468 5.688 -4.333 1.00 0.00 C ATOM 810 CD2 LEU A 52 3.881 4.001 -5.517 1.00 0.00 C ATOM 0 H LEU A 52 -1.102 3.825 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.127 5.300 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.307 3.295 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.593 3.450 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 52 2.765 5.606 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.352 6.301 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.592 6.331 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.333 4.998 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.758 4.616 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.743 3.289 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.024 3.460 -6.452 1.00 0.00 H new ATOM 822 N ASP A 53 0.425 7.053 -6.939 1.00 0.00 N ATOM 823 CA ASP A 53 0.531 8.118 -7.959 1.00 0.00 C ATOM 824 C ASP A 53 -0.845 8.399 -8.585 1.00 0.00 C ATOM 825 O ASP A 53 -1.038 9.395 -9.274 1.00 0.00 O ATOM 826 CB ASP A 53 1.572 7.751 -9.040 1.00 0.00 C ATOM 827 CG ASP A 53 2.294 8.936 -9.671 1.00 0.00 C ATOM 828 OD1 ASP A 53 1.780 9.540 -10.643 1.00 0.00 O ATOM 829 OD2 ASP A 53 3.470 9.143 -9.297 1.00 0.00 O ATOM 0 H ASP A 53 0.487 7.407 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 53 0.875 9.029 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.314 7.087 -8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.072 7.189 -9.828 1.00 0.00 H new ATOM 834 N GLY A 54 -1.849 7.569 -8.279 1.00 0.00 N ATOM 835 CA GLY A 54 -3.106 7.464 -9.002 1.00 0.00 C ATOM 836 C GLY A 54 -3.069 6.338 -10.037 1.00 0.00 C ATOM 837 O GLY A 54 -4.059 6.154 -10.749 1.00 0.00 O ATOM 0 H GLY A 54 -1.798 6.929 -7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.918 7.284 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.320 8.410 -9.500 1.00 0.00 H new ATOM 841 N GLU A 55 -1.959 5.598 -10.116 1.00 0.00 N ATOM 842 CA GLU A 55 -1.745 4.420 -10.935 1.00 0.00 C ATOM 843 C GLU A 55 -2.020 3.189 -10.074 1.00 0.00 C ATOM 844 O GLU A 55 -1.439 3.001 -9.011 1.00 0.00 O ATOM 845 CB GLU A 55 -0.296 4.401 -11.464 1.00 0.00 C ATOM 846 CG GLU A 55 -0.260 4.724 -12.959 1.00 0.00 C ATOM 847 CD GLU A 55 1.121 4.512 -13.593 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.173 4.794 -12.957 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.189 3.979 -14.724 1.00 0.00 O ATOM 0 H GLU A 55 -1.132 5.831 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.415 4.427 -11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.306 5.126 -10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.147 3.421 -11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.989 4.100 -13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.565 5.760 -13.107 1.00 0.00 H new ATOM 856 N VAL A 56 -2.947 2.361 -10.517 1.00 0.00 N ATOM 857 CA VAL A 56 -3.309 1.082 -9.913 1.00 0.00 C ATOM 858 C VAL A 56 -2.142 0.087 -10.089 1.00 0.00 C ATOM 859 O VAL A 56 -1.666 -0.063 -11.217 1.00 0.00 O ATOM 860 CB VAL A 56 -4.596 0.607 -10.623 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.095 -0.722 -10.068 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.730 1.643 -10.502 1.00 0.00 C ATOM 0 H VAL A 56 -3.499 2.568 -11.350 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.494 1.165 -8.842 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.328 0.481 -11.672 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.002 -1.019 -10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.329 -1.485 -10.206 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.312 -0.614 -9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.618 1.272 -11.014 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.961 1.809 -9.450 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.415 2.582 -10.957 1.00 0.00 H new ATOM 872 N LEU A 57 -1.672 -0.589 -9.024 1.00 0.00 N ATOM 873 CA LEU A 57 -0.494 -1.466 -9.045 1.00 0.00 C ATOM 874 C LEU A 57 -0.807 -2.848 -8.469 1.00 0.00 C ATOM 875 O LEU A 57 -1.593 -2.985 -7.532 1.00 0.00 O ATOM 876 CB LEU A 57 0.646 -0.919 -8.175 1.00 0.00 C ATOM 877 CG LEU A 57 0.905 0.594 -8.137 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.946 0.828 -7.035 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.368 1.149 -9.485 1.00 0.00 C ATOM 0 H LEU A 57 -2.113 -0.537 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.205 -1.521 -10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.462 -1.245 -7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.567 -1.401 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.020 1.129 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.168 1.893 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.552 0.476 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.858 0.282 -7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.536 2.223 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.296 0.660 -9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.603 0.961 -10.238 1.00 0.00 H new ATOM 891 N SER A 58 -0.139 -3.882 -8.959 1.00 0.00 N ATOM 892 CA SER A 58 -0.404 -5.260 -8.540 1.00 0.00 C ATOM 893 C SER A 58 0.313 -5.562 -7.215 1.00 0.00 C ATOM 894 O SER A 58 1.210 -4.815 -6.837 1.00 0.00 O ATOM 895 CB SER A 58 -0.022 -6.186 -9.696 1.00 0.00 C ATOM 896 OG SER A 58 -0.630 -5.671 -10.872 1.00 0.00 O ATOM 0 H SER A 58 0.601 -3.795 -9.656 1.00 0.00 H new ATOM 0 HA SER A 58 -1.461 -5.424 -8.329 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.061 -6.229 -9.811 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.363 -7.203 -9.502 1.00 0.00 H new ATOM 0 HG SER A 58 -0.403 -6.243 -11.635 1.00 0.00 H new ATOM 902 N LEU A 59 -0.031 -6.647 -6.509 1.00 0.00 N ATOM 903 CA LEU A 59 0.536 -6.985 -5.198 1.00 0.00 C ATOM 904 C LEU A 59 2.029 -7.205 -5.361 1.00 0.00 C ATOM 905 O LEU A 59 2.840 -6.664 -4.616 1.00 0.00 O ATOM 906 CB LEU A 59 -0.135 -8.265 -4.636 1.00 0.00 C ATOM 907 CG LEU A 59 0.588 -8.905 -3.427 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.620 -7.969 -2.222 1.00 0.00 C ATOM 909 CD2 LEU A 59 -0.081 -10.206 -2.978 1.00 0.00 C ATOM 0 H LEU A 59 -0.720 -7.323 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 59 0.355 -6.171 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.157 -8.023 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.199 -9.004 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 59 1.602 -9.108 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.136 -8.457 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.146 -7.052 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.400 -7.728 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.461 -10.619 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.112 -10.004 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.069 -10.923 -3.799 1.00 0.00 H new ATOM 921 N ASP A 60 2.370 -8.018 -6.353 1.00 0.00 N ATOM 922 CA ASP A 60 3.742 -8.320 -6.715 1.00 0.00 C ATOM 923 C ASP A 60 4.463 -7.049 -7.131 1.00 0.00 C ATOM 924 O ASP A 60 5.524 -6.734 -6.595 1.00 0.00 O ATOM 925 CB ASP A 60 3.733 -9.301 -7.890 1.00 0.00 C ATOM 926 CG ASP A 60 4.137 -10.697 -7.434 1.00 0.00 C ATOM 927 OD1 ASP A 60 3.255 -11.481 -7.020 1.00 0.00 O ATOM 928 OD2 ASP A 60 5.359 -10.977 -7.414 1.00 0.00 O ATOM 0 H ASP A 60 1.683 -8.494 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 60 4.257 -8.756 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.739 -9.333 -8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.418 -8.954 -8.664 1.00 0.00 H new ATOM 933 N LYS A 61 3.874 -6.317 -8.087 1.00 0.00 N ATOM 934 CA LYS A 61 4.531 -5.175 -8.701 1.00 0.00 C ATOM 935 C LYS A 61 4.811 -4.127 -7.647 1.00 0.00 C ATOM 936 O LYS A 61 5.935 -3.650 -7.573 1.00 0.00 O ATOM 937 CB LYS A 61 3.732 -4.589 -9.875 1.00 0.00 C ATOM 938 CG LYS A 61 4.721 -3.984 -10.884 1.00 0.00 C ATOM 939 CD LYS A 61 4.012 -3.214 -12.006 1.00 0.00 C ATOM 940 CE LYS A 61 4.997 -2.412 -12.862 1.00 0.00 C ATOM 941 NZ LYS A 61 4.315 -1.711 -13.968 1.00 0.00 N ATOM 0 H LYS A 61 2.938 -6.504 -8.447 1.00 0.00 H new ATOM 0 HA LYS A 61 5.473 -5.521 -9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.133 -5.366 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.040 -3.826 -9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.404 -3.314 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.325 -4.780 -11.319 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.468 -3.915 -12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.275 -2.538 -11.572 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.516 -1.686 -12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.755 -3.082 -13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.014 -1.179 -14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.841 -2.406 -14.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.609 -1.053 -13.579 1.00 0.00 H new ATOM 955 N LEU A 62 3.821 -3.832 -6.801 1.00 0.00 N ATOM 956 CA LEU A 62 3.935 -2.958 -5.651 1.00 0.00 C ATOM 957 C LEU A 62 5.211 -3.295 -4.891 1.00 0.00 C ATOM 958 O LEU A 62 6.029 -2.406 -4.685 1.00 0.00 O ATOM 959 CB LEU A 62 2.696 -3.086 -4.752 1.00 0.00 C ATOM 960 CG LEU A 62 2.800 -2.223 -3.483 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.917 -0.723 -3.793 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.587 -2.419 -2.579 1.00 0.00 C ATOM 0 H LEU A 62 2.883 -4.216 -6.911 1.00 0.00 H new ATOM 0 HA LEU A 62 3.989 -1.921 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.810 -2.793 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.563 -4.130 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 62 3.709 -2.555 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.987 -0.163 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.810 -0.544 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.037 -0.396 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.691 -1.796 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.682 -2.136 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.520 -3.466 -2.282 1.00 0.00 H new ATOM 974 N LYS A 63 5.425 -4.551 -4.494 1.00 0.00 N ATOM 975 CA LYS A 63 6.598 -4.909 -3.694 1.00 0.00 C ATOM 976 C LYS A 63 7.910 -4.556 -4.399 1.00 0.00 C ATOM 977 O LYS A 63 8.826 -4.070 -3.739 1.00 0.00 O ATOM 978 CB LYS A 63 6.569 -6.395 -3.298 1.00 0.00 C ATOM 979 CG LYS A 63 5.411 -6.683 -2.333 1.00 0.00 C ATOM 980 CD LYS A 63 5.288 -8.170 -1.984 1.00 0.00 C ATOM 981 CE LYS A 63 4.008 -8.330 -1.158 1.00 0.00 C ATOM 982 NZ LYS A 63 3.876 -9.655 -0.513 1.00 0.00 N ATOM 0 H LYS A 63 4.806 -5.332 -4.711 1.00 0.00 H new ATOM 0 HA LYS A 63 6.553 -4.312 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.465 -7.011 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.514 -6.669 -2.830 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.556 -6.110 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.478 -6.340 -2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.242 -8.776 -2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.157 -8.507 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.984 -7.558 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.146 -8.163 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.988 -9.691 0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.868 -10.397 -1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.679 -9.810 0.129 1.00 0.00 H new ATOM 996 N SER A 64 7.995 -4.746 -5.716 1.00 0.00 N ATOM 997 CA SER A 64 9.139 -4.322 -6.514 1.00 0.00 C ATOM 998 C SER A 64 9.239 -2.795 -6.601 1.00 0.00 C ATOM 999 O SER A 64 10.344 -2.258 -6.550 1.00 0.00 O ATOM 1000 CB SER A 64 9.020 -4.916 -7.923 1.00 0.00 C ATOM 1001 OG SER A 64 9.008 -6.323 -7.867 1.00 0.00 O ATOM 0 H SER A 64 7.264 -5.203 -6.261 1.00 0.00 H new ATOM 0 HA SER A 64 10.045 -4.684 -6.027 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.107 -4.558 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.854 -4.578 -8.538 1.00 0.00 H new ATOM 0 HG SER A 64 8.930 -6.686 -8.774 1.00 0.00 H new ATOM 1007 N LEU A 65 8.120 -2.078 -6.746 1.00 0.00 N ATOM 1008 CA LEU A 65 8.109 -0.618 -6.851 1.00 0.00 C ATOM 1009 C LEU A 65 8.564 0.027 -5.541 1.00 0.00 C ATOM 1010 O LEU A 65 9.196 1.080 -5.566 1.00 0.00 O ATOM 1011 CB LEU A 65 6.716 -0.067 -7.212 1.00 0.00 C ATOM 1012 CG LEU A 65 6.048 -0.526 -8.523 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.997 0.499 -8.920 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.030 -0.705 -9.677 1.00 0.00 C ATOM 0 H LEU A 65 7.192 -2.498 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 65 8.802 -0.366 -7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.041 -0.317 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.790 1.020 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 65 5.606 -1.504 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.516 0.187 -9.847 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.249 0.577 -8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.472 1.469 -9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.490 -1.029 -10.567 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.529 0.242 -9.880 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.773 -1.457 -9.409 1.00 0.00 H new ATOM 1026 N LEU A 66 8.255 -0.597 -4.402 1.00 0.00 N ATOM 1027 CA LEU A 66 8.623 -0.098 -3.084 1.00 0.00 C ATOM 1028 C LEU A 66 10.079 -0.424 -2.745 1.00 0.00 C ATOM 1029 O LEU A 66 10.605 0.090 -1.756 1.00 0.00 O ATOM 1030 CB LEU A 66 7.727 -0.741 -2.016 1.00 0.00 C ATOM 1031 CG LEU A 66 6.218 -0.479 -2.159 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.427 -1.435 -1.275 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.815 0.937 -1.806 1.00 0.00 C ATOM 0 H LEU A 66 7.735 -1.474 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 66 8.495 0.984 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.892 -1.818 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.047 -0.383 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 66 5.991 -0.639 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.361 -1.237 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.638 -2.463 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.715 -1.290 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.738 1.050 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.085 1.145 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.331 1.637 -2.463 1.00 0.00 H new ATOM 1045 N SER A 67 10.699 -1.338 -3.491 1.00 0.00 N ATOM 1046 CA SER A 67 12.056 -1.806 -3.274 1.00 0.00 C ATOM 1047 C SER A 67 13.047 -0.793 -3.839 1.00 0.00 C ATOM 1048 O SER A 67 14.184 -0.752 -3.294 1.00 0.00 O ATOM 1049 CB SER A 67 12.171 -3.189 -3.928 1.00 0.00 C ATOM 1050 OG SER A 67 13.302 -3.894 -3.467 1.00 0.00 O ATOM 0 H SER A 67 10.249 -1.785 -4.290 1.00 0.00 H new ATOM 0 HA SER A 67 12.292 -1.901 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.271 -3.767 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.230 -3.075 -5.010 1.00 0.00 H new ATOM 0 HG SER A 67 13.342 -4.770 -3.904 1.00 0.00 H new