USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=18 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 76:sc= 1.43 USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 9 THR OG1 : rot -82:sc= 1.14 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 17:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.884 K(o=0.88,f=-0.0033) USER MOD Single : A 26 THR OG1 : rot -32:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.417 K(o=0.42,f=-2.9!) USER MOD Single : A 43 THR OG1 : rot 108:sc= 1.35 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.978 F(o=-2.4!,f=-0.98) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0105) 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 -3.744 -12.914 0.146 1.00 0.00 N ATOM 9 CA SER A 2 -2.370 -12.422 0.024 1.00 0.00 C ATOM 10 C SER A 2 -2.309 -10.898 0.082 1.00 0.00 C ATOM 11 O SER A 2 -1.392 -10.338 0.685 1.00 0.00 O ATOM 12 CB SER A 2 -1.748 -12.909 -1.301 1.00 0.00 C ATOM 13 OG SER A 2 -0.377 -13.249 -1.142 1.00 0.00 O ATOM 0 HA SER A 2 -1.804 -12.818 0.867 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.299 -13.776 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.845 -12.130 -2.057 1.00 0.00 H new ATOM 0 HG SER A 2 -0.014 -13.555 -1.999 1.00 0.00 H new ATOM 19 N GLU A 3 -3.262 -10.226 -0.559 1.00 0.00 N ATOM 20 CA GLU A 3 -3.253 -8.780 -0.680 1.00 0.00 C ATOM 21 C GLU A 3 -3.598 -8.185 0.690 1.00 0.00 C ATOM 22 O GLU A 3 -2.870 -7.354 1.222 1.00 0.00 O ATOM 23 CB GLU A 3 -4.204 -8.336 -1.808 1.00 0.00 C ATOM 24 CG GLU A 3 -3.956 -8.998 -3.176 1.00 0.00 C ATOM 25 CD GLU A 3 -4.367 -10.477 -3.241 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.385 -10.867 -2.620 1.00 0.00 O ATOM 27 OE2 GLU A 3 -3.618 -11.289 -3.835 1.00 0.00 O ATOM 0 H GLU A 3 -4.061 -10.674 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.268 -8.408 -0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.228 -8.547 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.122 -7.255 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.504 -8.446 -3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.897 -8.915 -3.421 1.00 0.00 H new ATOM 34 N GLU A 4 -4.645 -8.702 1.324 1.00 0.00 N ATOM 35 CA GLU A 4 -5.050 -8.348 2.684 1.00 0.00 C ATOM 36 C GLU A 4 -3.887 -8.588 3.662 1.00 0.00 C ATOM 37 O GLU A 4 -3.546 -7.731 4.473 1.00 0.00 O ATOM 38 CB GLU A 4 -6.287 -9.177 3.072 1.00 0.00 C ATOM 39 CG GLU A 4 -7.412 -9.106 2.020 1.00 0.00 C ATOM 40 CD GLU A 4 -8.615 -9.969 2.387 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.399 -11.172 2.668 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.755 -9.454 2.325 1.00 0.00 O ATOM 0 H GLU A 4 -5.254 -9.399 0.896 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.309 -7.290 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.992 -10.217 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.669 -8.823 4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.733 -8.071 1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.021 -9.426 1.054 1.00 0.00 H new ATOM 49 N HIS A 5 -3.201 -9.724 3.514 1.00 0.00 N ATOM 50 CA HIS A 5 -2.073 -10.128 4.349 1.00 0.00 C ATOM 51 C HIS A 5 -0.905 -9.156 4.165 1.00 0.00 C ATOM 52 O HIS A 5 -0.065 -9.020 5.053 1.00 0.00 O ATOM 53 CB HIS A 5 -1.662 -11.574 4.006 1.00 0.00 C ATOM 54 CG HIS A 5 -0.576 -12.184 4.871 1.00 0.00 C ATOM 55 ND1 HIS A 5 -0.752 -13.198 5.782 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.762 -11.883 4.871 1.00 0.00 C ATOM 57 CE1 HIS A 5 0.433 -13.465 6.349 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.403 -12.715 5.797 1.00 0.00 N ATOM 0 H HIS A 5 -3.423 -10.406 2.789 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.368 -10.098 5.398 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.547 -12.206 4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.328 -11.598 2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.240 -11.132 4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.587 -14.184 7.140 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.400 -12.746 6.009 1.00 0.00 H new ATOM 66 N PHE A 6 -0.807 -8.476 3.020 1.00 0.00 N ATOM 67 CA PHE A 6 0.227 -7.483 2.793 1.00 0.00 C ATOM 68 C PHE A 6 -0.056 -6.217 3.600 1.00 0.00 C ATOM 69 O PHE A 6 0.852 -5.702 4.251 1.00 0.00 O ATOM 70 CB PHE A 6 0.375 -7.199 1.303 1.00 0.00 C ATOM 71 CG PHE A 6 1.617 -6.391 1.017 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.890 -6.972 1.140 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.492 -5.023 0.746 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.041 -6.176 0.991 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.639 -4.228 0.576 1.00 0.00 C ATOM 76 CZ PHE A 6 3.917 -4.802 0.688 1.00 0.00 C ATOM 0 H PHE A 6 -1.442 -8.603 2.232 1.00 0.00 H new ATOM 0 HA PHE A 6 1.181 -7.877 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.417 -8.140 0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.502 -6.660 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.985 -8.027 1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.511 -4.577 0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.020 -6.616 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.538 -3.175 0.359 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.799 -4.196 0.543 1.00 0.00 H new ATOM 86 N VAL A 7 -1.306 -5.747 3.605 1.00 0.00 N ATOM 87 CA VAL A 7 -1.724 -4.634 4.463 1.00 0.00 C ATOM 88 C VAL A 7 -1.423 -4.983 5.919 1.00 0.00 C ATOM 89 O VAL A 7 -0.872 -4.170 6.665 1.00 0.00 O ATOM 90 CB VAL A 7 -3.216 -4.293 4.265 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.605 -3.037 5.054 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.544 -4.036 2.791 1.00 0.00 C ATOM 0 H VAL A 7 -2.052 -6.123 3.020 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.161 -3.743 4.184 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.778 -5.155 4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.662 -2.821 4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.424 -3.204 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.007 -2.193 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.603 -3.799 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.948 -3.199 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.314 -4.927 2.206 1.00 0.00 H new ATOM 102 N GLU A 8 -1.759 -6.213 6.291 1.00 0.00 N ATOM 103 CA GLU A 8 -1.605 -6.743 7.632 1.00 0.00 C ATOM 104 C GLU A 8 -0.130 -6.681 8.030 1.00 0.00 C ATOM 105 O GLU A 8 0.210 -6.073 9.042 1.00 0.00 O ATOM 106 CB GLU A 8 -2.172 -8.167 7.672 1.00 0.00 C ATOM 107 CG GLU A 8 -2.177 -8.752 9.085 1.00 0.00 C ATOM 108 CD GLU A 8 -3.437 -8.501 9.917 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.123 -7.469 9.749 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.689 -9.360 10.798 1.00 0.00 O ATOM 0 H GLU A 8 -2.160 -6.889 5.641 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.160 -6.149 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.189 -8.161 7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.582 -8.809 7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.025 -9.829 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.323 -8.346 9.627 1.00 0.00 H new ATOM 117 N THR A 9 0.761 -7.275 7.231 1.00 0.00 N ATOM 118 CA THR A 9 2.158 -7.417 7.590 1.00 0.00 C ATOM 119 C THR A 9 2.823 -6.060 7.763 1.00 0.00 C ATOM 120 O THR A 9 3.586 -5.864 8.715 1.00 0.00 O ATOM 121 CB THR A 9 2.925 -8.207 6.524 1.00 0.00 C ATOM 122 OG1 THR A 9 2.390 -8.150 5.220 1.00 0.00 O ATOM 123 CG2 THR A 9 3.107 -9.670 6.906 1.00 0.00 C ATOM 0 H THR A 9 0.525 -7.668 6.320 1.00 0.00 H new ATOM 0 HA THR A 9 2.188 -7.958 8.536 1.00 0.00 H new ATOM 0 HB THR A 9 3.887 -7.695 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.657 -8.796 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.656 -10.186 6.118 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.665 -9.735 7.840 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.130 -10.137 7.033 1.00 0.00 H new ATOM 131 N VAL A 10 2.576 -5.142 6.829 1.00 0.00 N ATOM 132 CA VAL A 10 3.177 -3.826 6.890 1.00 0.00 C ATOM 133 C VAL A 10 2.697 -3.108 8.152 1.00 0.00 C ATOM 134 O VAL A 10 3.507 -2.429 8.776 1.00 0.00 O ATOM 135 CB VAL A 10 2.881 -3.049 5.600 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.365 -1.610 5.701 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.565 -3.660 4.376 1.00 0.00 C ATOM 0 H VAL A 10 1.965 -5.292 6.026 1.00 0.00 H new ATOM 0 HA VAL A 10 4.262 -3.905 6.958 1.00 0.00 H new ATOM 0 HB VAL A 10 1.799 -3.094 5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.141 -1.085 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.860 -1.113 6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.441 -1.599 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.322 -3.071 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.645 -3.661 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.217 -4.683 4.238 1.00 0.00 H new ATOM 147 N SER A 11 1.442 -3.287 8.580 1.00 0.00 N ATOM 148 CA SER A 11 0.966 -2.689 9.819 1.00 0.00 C ATOM 149 C SER A 11 1.796 -3.144 11.014 1.00 0.00 C ATOM 150 O SER A 11 2.026 -2.359 11.936 1.00 0.00 O ATOM 151 CB SER A 11 -0.512 -3.018 10.016 1.00 0.00 C ATOM 152 OG SER A 11 -1.138 -2.145 10.937 1.00 0.00 O ATOM 0 H SER A 11 0.744 -3.841 8.083 1.00 0.00 H new ATOM 0 HA SER A 11 1.079 -1.607 9.747 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.026 -2.960 9.057 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.610 -4.045 10.368 1.00 0.00 H new ATOM 0 HG SER A 11 -1.296 -1.277 10.510 1.00 0.00 H new ATOM 158 N LEU A 12 2.283 -4.386 11.006 1.00 0.00 N ATOM 159 CA LEU A 12 3.079 -4.881 12.121 1.00 0.00 C ATOM 160 C LEU A 12 4.513 -4.354 12.070 1.00 0.00 C ATOM 161 O LEU A 12 5.168 -4.200 13.101 1.00 0.00 O ATOM 162 CB LEU A 12 3.125 -6.410 12.163 1.00 0.00 C ATOM 163 CG LEU A 12 1.773 -7.108 11.975 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.002 -8.609 12.141 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.683 -6.665 12.950 1.00 0.00 C ATOM 0 H LEU A 12 2.141 -5.056 10.250 1.00 0.00 H new ATOM 0 HA LEU A 12 2.587 -4.514 13.021 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.807 -6.759 11.388 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.546 -6.719 13.120 1.00 0.00 H new ATOM 0 HG LEU A 12 1.410 -6.837 10.984 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.057 -9.138 12.013 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.715 -8.953 11.392 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.397 -8.809 13.137 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.236 -7.212 12.741 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.003 -6.870 13.971 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.504 -5.596 12.834 1.00 0.00 H new ATOM 177 N ALA A 13 5.033 -4.120 10.864 1.00 0.00 N ATOM 178 CA ALA A 13 6.329 -3.490 10.656 1.00 0.00 C ATOM 179 C ALA A 13 6.247 -1.968 10.834 1.00 0.00 C ATOM 180 O ALA A 13 7.274 -1.321 11.036 1.00 0.00 O ATOM 181 CB ALA A 13 6.857 -3.884 9.277 1.00 0.00 C ATOM 0 H ALA A 13 4.557 -4.367 9.997 1.00 0.00 H new ATOM 0 HA ALA A 13 7.031 -3.844 11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.828 -3.417 9.112 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.962 -4.968 9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.158 -3.549 8.510 1.00 0.00 H new ATOM 187 N GLY A 14 5.048 -1.381 10.802 1.00 0.00 N ATOM 188 CA GLY A 14 4.814 0.058 10.823 1.00 0.00 C ATOM 189 C GLY A 14 5.438 0.757 9.615 1.00 0.00 C ATOM 190 O GLY A 14 5.622 1.975 9.621 1.00 0.00 O ATOM 0 H GLY A 14 4.183 -1.919 10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.741 0.251 10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.228 0.479 11.739 1.00 0.00 H new ATOM 194 N SER A 15 5.827 0.003 8.584 1.00 0.00 N ATOM 195 CA SER A 15 6.811 0.402 7.595 1.00 0.00 C ATOM 196 C SER A 15 7.008 -0.773 6.641 1.00 0.00 C ATOM 197 O SER A 15 6.579 -1.893 6.924 1.00 0.00 O ATOM 198 CB SER A 15 8.094 0.842 8.349 1.00 0.00 C ATOM 199 OG SER A 15 9.285 0.156 8.014 1.00 0.00 O ATOM 0 H SER A 15 5.450 -0.930 8.416 1.00 0.00 H new ATOM 0 HA SER A 15 6.501 1.253 6.989 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.249 1.906 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.920 0.723 9.418 1.00 0.00 H new ATOM 0 HG SER A 15 10.028 0.512 8.544 1.00 0.00 H new ATOM 205 N TYR A 16 7.635 -0.525 5.494 1.00 0.00 N ATOM 206 CA TYR A 16 8.064 -1.595 4.593 1.00 0.00 C ATOM 207 C TYR A 16 9.216 -1.108 3.732 1.00 0.00 C ATOM 208 O TYR A 16 9.085 -0.046 3.118 1.00 0.00 O ATOM 209 CB TYR A 16 6.896 -2.043 3.711 1.00 0.00 C ATOM 210 CG TYR A 16 7.215 -3.196 2.773 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.036 -4.504 3.252 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.696 -2.999 1.459 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.299 -5.608 2.433 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.958 -4.105 0.623 1.00 0.00 C ATOM 215 CZ TYR A 16 7.772 -5.418 1.116 1.00 0.00 C ATOM 216 OH TYR A 16 8.069 -6.488 0.332 1.00 0.00 O ATOM 0 H TYR A 16 7.859 0.414 5.164 1.00 0.00 H new ATOM 0 HA TYR A 16 8.398 -2.447 5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.064 -2.334 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.559 -1.193 3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.692 -4.660 4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.864 -1.997 1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.140 -6.608 2.809 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.299 -3.950 -0.390 1.00 0.00 H new ATOM 0 HH TYR A 16 8.380 -6.176 -0.543 1.00 0.00 H new ATOM 226 N ARG A 17 10.283 -1.906 3.614 1.00 0.00 N ATOM 227 CA ARG A 17 11.559 -1.587 2.971 1.00 0.00 C ATOM 228 C ARG A 17 12.115 -0.268 3.494 1.00 0.00 C ATOM 229 O ARG A 17 12.852 -0.267 4.473 1.00 0.00 O ATOM 230 CB ARG A 17 11.404 -1.590 1.441 1.00 0.00 C ATOM 231 CG ARG A 17 11.017 -2.948 0.841 1.00 0.00 C ATOM 232 CD ARG A 17 12.154 -3.681 0.127 1.00 0.00 C ATOM 233 NE ARG A 17 12.937 -4.549 1.025 1.00 0.00 N ATOM 234 CZ ARG A 17 14.117 -4.274 1.596 1.00 0.00 C ATOM 235 NH1 ARG A 17 14.650 -3.058 1.507 1.00 0.00 N ATOM 236 NH2 ARG A 17 14.764 -5.235 2.248 1.00 0.00 N ATOM 0 H ARG A 17 10.276 -2.854 3.991 1.00 0.00 H new ATOM 0 HA ARG A 17 12.285 -2.359 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.647 -0.856 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.343 -1.264 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.636 -3.586 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.200 -2.798 0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.739 -4.284 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.819 -2.949 -0.331 1.00 0.00 H new ATOM 0 HE ARG A 17 12.535 -5.462 1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.159 -2.322 0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.549 -2.862 1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.361 -6.170 2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.663 -5.037 2.687 1.00 0.00 H new ATOM 250 N ASP A 18 11.695 0.847 2.904 1.00 0.00 N ATOM 251 CA ASP A 18 12.172 2.198 3.184 1.00 0.00 C ATOM 252 C ASP A 18 11.019 3.171 3.481 1.00 0.00 C ATOM 253 O ASP A 18 11.247 4.364 3.684 1.00 0.00 O ATOM 254 CB ASP A 18 13.012 2.676 1.989 1.00 0.00 C ATOM 255 CG ASP A 18 14.455 2.942 2.394 1.00 0.00 C ATOM 256 OD1 ASP A 18 15.243 1.975 2.485 1.00 0.00 O ATOM 257 OD2 ASP A 18 14.816 4.123 2.581 1.00 0.00 O ATOM 0 H ASP A 18 10.976 0.832 2.181 1.00 0.00 H new ATOM 0 HA ASP A 18 12.787 2.177 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.987 1.924 1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.575 3.585 1.576 1.00 0.00 H new ATOM 262 N TRP A 19 9.775 2.684 3.479 1.00 0.00 N ATOM 263 CA TRP A 19 8.537 3.452 3.640 1.00 0.00 C ATOM 264 C TRP A 19 8.008 3.333 5.068 1.00 0.00 C ATOM 265 O TRP A 19 8.443 2.476 5.837 1.00 0.00 O ATOM 266 CB TRP A 19 7.473 2.909 2.676 1.00 0.00 C ATOM 267 CG TRP A 19 7.789 2.952 1.211 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.810 2.317 0.586 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.028 3.609 0.155 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.800 2.628 -0.753 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.705 3.394 -1.078 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.823 4.344 0.101 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.209 3.875 -2.293 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.350 4.881 -1.101 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.034 4.641 -2.307 1.00 0.00 C ATOM 0 H TRP A 19 9.595 1.687 3.358 1.00 0.00 H new ATOM 0 HA TRP A 19 8.750 4.499 3.424 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.269 1.873 2.947 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.552 3.469 2.839 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.524 1.665 1.067 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.512 2.329 -1.419 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.255 4.495 1.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.727 3.658 -3.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.454 5.484 -1.103 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.657 5.043 -3.236 1.00 0.00 H new ATOM 286 N SER A 20 7.011 4.138 5.406 1.00 0.00 N ATOM 287 CA SER A 20 6.279 4.174 6.661 1.00 0.00 C ATOM 288 C SER A 20 4.871 3.686 6.361 1.00 0.00 C ATOM 289 O SER A 20 4.341 4.012 5.305 1.00 0.00 O ATOM 290 CB SER A 20 6.185 5.627 7.135 1.00 0.00 C ATOM 291 OG SER A 20 7.216 5.969 8.046 1.00 0.00 O ATOM 0 H SER A 20 6.665 4.841 4.753 1.00 0.00 H new ATOM 0 HA SER A 20 6.768 3.564 7.421 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.232 6.291 6.272 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.217 5.789 7.609 1.00 0.00 H new ATOM 0 HG SER A 20 7.115 6.905 8.318 1.00 0.00 H new ATOM 297 N TYR A 21 4.262 2.922 7.258 1.00 0.00 N ATOM 298 CA TYR A 21 2.809 2.740 7.280 1.00 0.00 C ATOM 299 C TYR A 21 2.121 4.071 7.656 1.00 0.00 C ATOM 300 O TYR A 21 2.760 4.985 8.184 1.00 0.00 O ATOM 301 CB TYR A 21 2.497 1.607 8.274 1.00 0.00 C ATOM 302 CG TYR A 21 1.092 1.022 8.260 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.655 0.274 7.149 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.251 1.133 9.385 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.592 -0.369 7.169 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.021 0.531 9.392 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.440 -0.233 8.282 1.00 0.00 C ATOM 308 OH TYR A 21 -2.632 -0.883 8.274 1.00 0.00 O ATOM 0 H TYR A 21 4.755 2.411 7.990 1.00 0.00 H new ATOM 0 HA TYR A 21 2.423 2.460 6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.200 0.795 8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.696 1.978 9.279 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.285 0.195 6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.586 1.686 10.250 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.901 -0.970 6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.674 0.653 10.244 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.111 -0.698 9.109 1.00 0.00 H new ATOM 318 N SER A 22 0.822 4.162 7.385 1.00 0.00 N ATOM 319 CA SER A 22 -0.106 5.195 7.806 1.00 0.00 C ATOM 320 C SER A 22 -1.379 4.452 8.246 1.00 0.00 C ATOM 321 O SER A 22 -1.358 3.753 9.254 1.00 0.00 O ATOM 322 CB SER A 22 -0.312 6.229 6.687 1.00 0.00 C ATOM 323 OG SER A 22 0.811 7.079 6.512 1.00 0.00 O ATOM 0 H SER A 22 0.358 3.453 6.817 1.00 0.00 H new ATOM 0 HA SER A 22 0.261 5.791 8.641 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.518 5.709 5.751 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.189 6.835 6.915 1.00 0.00 H new ATOM 0 HG SER A 22 1.595 6.678 6.942 1.00 0.00 H new ATOM 329 N GLY A 23 -2.498 4.567 7.525 1.00 0.00 N ATOM 330 CA GLY A 23 -3.712 3.781 7.752 1.00 0.00 C ATOM 331 C GLY A 23 -4.939 4.645 8.016 1.00 0.00 C ATOM 332 O GLY A 23 -6.004 4.141 8.371 1.00 0.00 O ATOM 0 H GLY A 23 -2.586 5.224 6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.898 3.151 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.554 3.115 8.600 1.00 0.00 H new ATOM 336 N GLN A 24 -4.809 5.958 7.835 1.00 0.00 N ATOM 337 CA GLN A 24 -5.923 6.881 7.819 1.00 0.00 C ATOM 338 C GLN A 24 -6.807 6.560 6.631 1.00 0.00 C ATOM 339 O GLN A 24 -6.320 6.204 5.562 1.00 0.00 O ATOM 340 CB GLN A 24 -5.354 8.291 7.666 1.00 0.00 C ATOM 341 CG GLN A 24 -6.396 9.398 7.454 1.00 0.00 C ATOM 342 CD GLN A 24 -7.377 9.493 8.617 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.976 9.577 9.775 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.671 9.438 8.348 1.00 0.00 N ATOM 0 H GLN A 24 -3.906 6.410 7.693 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.509 6.805 8.735 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.771 8.529 8.556 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.664 8.297 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.888 10.354 7.330 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.945 9.207 6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.988 9.368 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.351 9.465 9.107 1.00 0.00 H new ATOM 353 N ARG A 25 -8.107 6.755 6.797 1.00 0.00 N ATOM 354 CA ARG A 25 -9.088 6.468 5.763 1.00 0.00 C ATOM 355 C ARG A 25 -9.390 7.765 5.030 1.00 0.00 C ATOM 356 O ARG A 25 -9.356 8.827 5.661 1.00 0.00 O ATOM 357 CB ARG A 25 -10.296 5.791 6.418 1.00 0.00 C ATOM 358 CG ARG A 25 -9.821 4.625 7.318 1.00 0.00 C ATOM 359 CD ARG A 25 -10.524 3.291 7.104 1.00 0.00 C ATOM 360 NE ARG A 25 -11.813 3.212 7.787 1.00 0.00 N ATOM 361 CZ ARG A 25 -11.994 2.877 9.068 1.00 0.00 C ATOM 362 NH1 ARG A 25 -10.973 2.809 9.923 1.00 0.00 N ATOM 363 NH2 ARG A 25 -13.223 2.614 9.485 1.00 0.00 N ATOM 0 H ARG A 25 -8.513 7.119 7.659 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.729 5.768 5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.853 6.516 7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.975 5.417 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.752 4.480 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.951 4.919 8.359 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.674 3.132 6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.881 2.486 7.459 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.645 3.431 7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.026 3.015 9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.139 2.551 10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.006 2.669 8.833 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.387 2.356 10.458 1.00 0.00 H new ATOM 377 N THR A 26 -9.563 7.709 3.710 1.00 0.00 N ATOM 378 CA THR A 26 -9.663 8.902 2.873 1.00 0.00 C ATOM 379 C THR A 26 -10.661 8.641 1.751 1.00 0.00 C ATOM 380 O THR A 26 -11.045 7.491 1.516 1.00 0.00 O ATOM 381 CB THR A 26 -8.283 9.330 2.312 1.00 0.00 C ATOM 382 OG1 THR A 26 -7.900 8.590 1.174 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.137 9.231 3.323 1.00 0.00 C ATOM 0 H THR A 26 -9.638 6.834 3.191 1.00 0.00 H new ATOM 0 HA THR A 26 -10.017 9.732 3.485 1.00 0.00 H new ATOM 0 HB THR A 26 -8.440 10.377 2.052 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.263 7.682 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.207 9.548 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.349 9.875 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.039 8.200 3.662 1.00 0.00 H new ATOM 391 N GLU A 27 -10.988 9.688 0.991 1.00 0.00 N ATOM 392 CA GLU A 27 -11.753 9.629 -0.251 1.00 0.00 C ATOM 393 C GLU A 27 -11.209 8.535 -1.185 1.00 0.00 C ATOM 394 O GLU A 27 -11.977 7.799 -1.803 1.00 0.00 O ATOM 395 CB GLU A 27 -11.662 11.008 -0.938 1.00 0.00 C ATOM 396 CG GLU A 27 -12.989 11.520 -1.512 1.00 0.00 C ATOM 397 CD GLU A 27 -13.929 12.018 -0.411 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.551 12.966 0.326 1.00 0.00 O ATOM 399 OE2 GLU A 27 -15.031 11.440 -0.290 1.00 0.00 O ATOM 0 H GLU A 27 -10.714 10.639 1.237 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.791 9.382 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.287 11.735 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.930 10.951 -1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.793 12.329 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.475 10.721 -2.072 1.00 0.00 H new ATOM 406 N LEU A 28 -9.878 8.435 -1.260 1.00 0.00 N ATOM 407 CA LEU A 28 -9.104 7.646 -2.217 1.00 0.00 C ATOM 408 C LEU A 28 -8.804 6.244 -1.719 1.00 0.00 C ATOM 409 O LEU A 28 -8.053 5.516 -2.371 1.00 0.00 O ATOM 410 CB LEU A 28 -7.785 8.391 -2.510 1.00 0.00 C ATOM 411 CG LEU A 28 -7.960 9.810 -3.083 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.625 10.558 -3.015 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.467 9.769 -4.528 1.00 0.00 C ATOM 0 H LEU A 28 -9.275 8.938 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.701 7.533 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.207 8.455 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.198 7.800 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.705 10.333 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.749 11.562 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.297 10.624 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.877 10.021 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.580 10.786 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.752 9.231 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.431 9.261 -4.561 1.00 0.00 H new ATOM 425 N GLY A 29 -9.364 5.866 -0.575 1.00 0.00 N ATOM 426 CA GLY A 29 -9.016 4.632 0.082 1.00 0.00 C ATOM 427 C GLY A 29 -8.152 4.907 1.290 1.00 0.00 C ATOM 428 O GLY A 29 -7.965 6.058 1.692 1.00 0.00 O ATOM 0 H GLY A 29 -10.071 6.414 -0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.921 4.106 0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.486 3.980 -0.612 1.00 0.00 H new ATOM 432 N VAL A 30 -7.690 3.850 1.934 1.00 0.00 N ATOM 433 CA VAL A 30 -6.876 4.003 3.135 1.00 0.00 C ATOM 434 C VAL A 30 -5.446 4.369 2.718 1.00 0.00 C ATOM 435 O VAL A 30 -4.917 3.762 1.791 1.00 0.00 O ATOM 436 CB VAL A 30 -6.972 2.702 3.940 1.00 0.00 C ATOM 437 CG1 VAL A 30 -6.115 2.735 5.198 1.00 0.00 C ATOM 438 CG2 VAL A 30 -8.419 2.496 4.395 1.00 0.00 C ATOM 0 H VAL A 30 -7.860 2.884 1.652 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.228 4.810 3.778 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.624 1.901 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.218 1.791 5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.071 2.885 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.442 3.553 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.492 1.572 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.727 3.335 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.069 2.434 3.523 1.00 0.00 H new ATOM 448 N GLU A 31 -4.828 5.355 3.382 1.00 0.00 N ATOM 449 CA GLU A 31 -3.414 5.709 3.266 1.00 0.00 C ATOM 450 C GLU A 31 -2.598 4.478 3.641 1.00 0.00 C ATOM 451 O GLU A 31 -2.665 4.025 4.781 1.00 0.00 O ATOM 452 CB GLU A 31 -3.017 6.856 4.222 1.00 0.00 C ATOM 453 CG GLU A 31 -3.672 8.206 3.914 1.00 0.00 C ATOM 454 CD GLU A 31 -3.021 9.386 4.663 1.00 0.00 C ATOM 455 OE1 GLU A 31 -2.701 9.294 5.873 1.00 0.00 O ATOM 456 OE2 GLU A 31 -2.825 10.447 4.027 1.00 0.00 O ATOM 0 H GLU A 31 -5.325 5.952 4.043 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.225 6.042 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.276 6.567 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.934 6.978 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.618 8.392 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.729 8.157 4.176 1.00 0.00 H new ATOM 463 N PHE A 32 -1.826 3.936 2.708 1.00 0.00 N ATOM 464 CA PHE A 32 -1.018 2.760 2.931 1.00 0.00 C ATOM 465 C PHE A 32 0.361 3.112 3.434 1.00 0.00 C ATOM 466 O PHE A 32 0.577 3.600 4.539 1.00 0.00 O ATOM 467 CB PHE A 32 -1.193 1.748 1.781 1.00 0.00 C ATOM 468 CG PHE A 32 -0.755 0.313 2.056 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.621 -0.209 3.365 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.498 -0.529 0.959 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.134 -1.510 3.558 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.028 -1.835 1.156 1.00 0.00 C ATOM 473 CZ PHE A 32 0.186 -2.317 2.458 1.00 0.00 C ATOM 0 H PHE A 32 -1.747 4.312 1.763 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.377 2.176 3.778 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.246 1.734 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.636 2.114 0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.894 0.396 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.664 -0.166 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.005 -1.892 4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.170 -2.471 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.595 -3.305 2.610 1.00 0.00 H new ATOM 483 N LEU A 33 1.284 2.825 2.571 1.00 0.00 N ATOM 484 CA LEU A 33 2.692 3.142 2.702 1.00 0.00 C ATOM 485 C LEU A 33 2.885 4.568 2.231 1.00 0.00 C ATOM 486 O LEU A 33 2.505 4.922 1.115 1.00 0.00 O ATOM 487 CB LEU A 33 3.645 2.194 1.954 1.00 0.00 C ATOM 488 CG LEU A 33 3.902 0.831 2.618 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.447 1.003 4.040 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.654 -0.029 2.518 1.00 0.00 C ATOM 0 H LEU A 33 1.074 2.335 1.702 1.00 0.00 H new ATOM 0 HA LEU A 33 2.958 3.016 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.242 2.019 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.602 2.700 1.827 1.00 0.00 H new ATOM 0 HG LEU A 33 4.687 0.295 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.619 0.023 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.386 1.556 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.724 1.553 4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.839 -0.994 2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.827 0.469 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.399 -0.180 1.469 1.00 0.00 H new ATOM 502 N LYS A 34 3.562 5.363 3.044 1.00 0.00 N ATOM 503 CA LYS A 34 4.064 6.671 2.701 1.00 0.00 C ATOM 504 C LYS A 34 5.578 6.612 2.657 1.00 0.00 C ATOM 505 O LYS A 34 6.201 5.909 3.447 1.00 0.00 O ATOM 506 CB LYS A 34 3.597 7.673 3.753 1.00 0.00 C ATOM 507 CG LYS A 34 2.179 8.179 3.455 1.00 0.00 C ATOM 508 CD LYS A 34 1.936 9.581 4.022 1.00 0.00 C ATOM 509 CE LYS A 34 2.737 10.632 3.233 1.00 0.00 C ATOM 510 NZ LYS A 34 3.099 11.789 4.069 1.00 0.00 N ATOM 0 H LYS A 34 3.783 5.096 4.003 1.00 0.00 H new ATOM 0 HA LYS A 34 3.690 6.985 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.619 7.206 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.287 8.517 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.018 8.192 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.451 7.486 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.873 9.818 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.225 9.609 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.643 10.174 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.149 10.971 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.637 12.473 3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.234 12.242 4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.681 11.470 4.870 1.00 0.00 H new ATOM 524 N ARG A 35 6.184 7.349 1.740 1.00 0.00 N ATOM 525 CA ARG A 35 7.613 7.644 1.712 1.00 0.00 C ATOM 526 C ARG A 35 7.735 9.027 1.075 1.00 0.00 C ATOM 527 O ARG A 35 6.702 9.619 0.764 1.00 0.00 O ATOM 528 CB ARG A 35 8.345 6.504 0.978 1.00 0.00 C ATOM 529 CG ARG A 35 9.874 6.564 1.017 1.00 0.00 C ATOM 530 CD ARG A 35 10.541 5.340 0.395 1.00 0.00 C ATOM 531 NE ARG A 35 11.966 5.628 0.209 1.00 0.00 N ATOM 532 CZ ARG A 35 12.524 6.255 -0.830 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.848 6.465 -1.955 1.00 0.00 N ATOM 534 NH2 ARG A 35 13.756 6.730 -0.691 1.00 0.00 N ATOM 0 H ARG A 35 5.677 7.776 0.964 1.00 0.00 H new ATOM 0 HA ARG A 35 8.089 7.685 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.026 5.555 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.026 6.504 -0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.209 7.458 0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.201 6.661 2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.412 4.470 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.076 5.100 -0.561 1.00 0.00 H new ATOM 0 HE ARG A 35 12.596 5.318 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.883 6.145 -2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.294 6.946 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.252 6.612 0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.207 7.213 -1.468 1.00 0.00 H new ATOM 548 N GLY A 36 8.948 9.550 0.883 1.00 0.00 N ATOM 549 CA GLY A 36 9.187 10.822 0.220 1.00 0.00 C ATOM 550 C GLY A 36 8.367 10.965 -1.044 1.00 0.00 C ATOM 551 O GLY A 36 8.640 10.340 -2.064 1.00 0.00 O ATOM 0 H GLY A 36 9.804 9.088 1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.947 11.637 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.246 10.911 -0.023 1.00 0.00 H new ATOM 555 N ASP A 37 7.350 11.795 -0.891 1.00 0.00 N ATOM 556 CA ASP A 37 6.370 12.339 -1.806 1.00 0.00 C ATOM 557 C ASP A 37 5.266 11.394 -2.254 1.00 0.00 C ATOM 558 O ASP A 37 4.369 11.783 -3.001 1.00 0.00 O ATOM 559 CB ASP A 37 7.008 13.059 -2.998 1.00 0.00 C ATOM 560 CG ASP A 37 6.648 14.541 -3.091 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.786 15.050 -2.339 1.00 0.00 O ATOM 562 OD2 ASP A 37 7.363 15.243 -3.844 1.00 0.00 O ATOM 0 H ASP A 37 7.168 12.162 0.043 1.00 0.00 H new ATOM 0 HA ASP A 37 5.856 13.077 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.092 12.962 -2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.700 12.562 -3.918 1.00 0.00 H new ATOM 567 N LYS A 38 5.303 10.151 -1.792 1.00 0.00 N ATOM 568 CA LYS A 38 4.615 9.038 -2.416 1.00 0.00 C ATOM 569 C LYS A 38 3.674 8.462 -1.379 1.00 0.00 C ATOM 570 O LYS A 38 4.113 8.153 -0.269 1.00 0.00 O ATOM 571 CB LYS A 38 5.668 8.009 -2.847 1.00 0.00 C ATOM 572 CG LYS A 38 6.677 8.518 -3.894 1.00 0.00 C ATOM 573 CD LYS A 38 6.273 8.443 -5.375 1.00 0.00 C ATOM 574 CE LYS A 38 5.769 7.063 -5.833 1.00 0.00 C ATOM 575 NZ LYS A 38 6.552 6.503 -6.955 1.00 0.00 N ATOM 0 H LYS A 38 5.824 9.887 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 38 4.046 9.337 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.216 7.680 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.157 7.134 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.905 9.558 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.601 7.954 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.493 9.181 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.131 8.723 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.806 6.372 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.724 7.145 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.166 5.574 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.497 7.145 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.545 6.395 -6.666 1.00 0.00 H new ATOM 589 N ILE A 39 2.400 8.312 -1.722 1.00 0.00 N ATOM 590 CA ILE A 39 1.385 7.739 -0.856 1.00 0.00 C ATOM 591 C ILE A 39 0.741 6.618 -1.655 1.00 0.00 C ATOM 592 O ILE A 39 0.086 6.854 -2.670 1.00 0.00 O ATOM 593 CB ILE A 39 0.342 8.776 -0.387 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.035 10.057 0.113 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.558 8.115 0.680 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.088 11.045 0.798 1.00 0.00 C ATOM 0 H ILE A 39 2.039 8.594 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 39 1.836 7.369 0.065 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.291 9.088 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.825 9.782 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.514 10.553 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.302 8.833 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.061 7.251 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.053 7.794 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.649 11.921 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.689 11.350 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.372 10.568 1.663 1.00 0.00 H new ATOM 608 N VAL A 40 0.935 5.396 -1.186 1.00 0.00 N ATOM 609 CA VAL A 40 0.197 4.241 -1.659 1.00 0.00 C ATOM 610 C VAL A 40 -1.158 4.301 -0.964 1.00 0.00 C ATOM 611 O VAL A 40 -1.244 4.754 0.176 1.00 0.00 O ATOM 612 CB VAL A 40 0.982 2.952 -1.310 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.345 1.662 -1.831 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.412 2.971 -1.851 1.00 0.00 C ATOM 0 H VAL A 40 1.617 5.178 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 40 0.061 4.237 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 40 0.968 2.950 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.960 0.810 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.652 1.551 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.273 1.705 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.917 2.044 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.389 3.065 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.951 3.817 -1.425 1.00 0.00 H new ATOM 624 N TYR A 41 -2.207 3.811 -1.612 1.00 0.00 N ATOM 625 CA TYR A 41 -3.516 3.600 -1.011 1.00 0.00 C ATOM 626 C TYR A 41 -3.864 2.130 -1.131 1.00 0.00 C ATOM 627 O TYR A 41 -3.250 1.414 -1.925 1.00 0.00 O ATOM 628 CB TYR A 41 -4.582 4.489 -1.671 1.00 0.00 C ATOM 629 CG TYR A 41 -4.352 5.954 -1.377 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.324 6.653 -2.038 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.110 6.590 -0.376 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.057 7.987 -1.701 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.820 7.917 -0.014 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.796 8.623 -0.680 1.00 0.00 C ATOM 635 OH TYR A 41 -3.495 9.902 -0.331 1.00 0.00 O ATOM 0 H TYR A 41 -2.169 3.543 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.489 3.882 0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.572 4.329 -2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.570 4.197 -1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.742 6.162 -2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.913 6.059 0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.284 8.530 -2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.381 8.396 0.774 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.095 10.195 0.386 1.00 0.00 H new ATOM 645 N HIS A 42 -4.851 1.676 -0.367 1.00 0.00 N ATOM 646 CA HIS A 42 -5.452 0.373 -0.561 1.00 0.00 C ATOM 647 C HIS A 42 -6.964 0.500 -0.449 1.00 0.00 C ATOM 648 O HIS A 42 -7.490 1.376 0.252 1.00 0.00 O ATOM 649 CB HIS A 42 -4.855 -0.647 0.410 1.00 0.00 C ATOM 650 CG HIS A 42 -5.242 -0.511 1.862 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.445 -0.892 2.417 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.421 -0.124 2.886 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.340 -0.753 3.749 1.00 0.00 C ATOM 654 NE2 HIS A 42 -5.127 -0.278 4.083 1.00 0.00 N ATOM 0 H HIS A 42 -5.254 2.207 0.405 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.229 -0.002 -1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.141 -1.644 0.074 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.769 -0.587 0.341 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -7.266 -1.220 1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.408 0.236 2.787 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.122 -0.990 4.455 1.00 0.00 H new ATOM 662 N THR A 43 -7.665 -0.393 -1.134 1.00 0.00 N ATOM 663 CA THR A 43 -9.108 -0.479 -1.081 1.00 0.00 C ATOM 664 C THR A 43 -9.556 -1.077 0.253 1.00 0.00 C ATOM 665 O THR A 43 -8.826 -1.824 0.917 1.00 0.00 O ATOM 666 CB THR A 43 -9.593 -1.312 -2.279 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.891 -2.536 -2.364 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.345 -0.532 -3.568 1.00 0.00 C ATOM 0 H THR A 43 -7.236 -1.085 -1.749 1.00 0.00 H new ATOM 0 HA THR A 43 -9.551 0.515 -1.146 1.00 0.00 H new ATOM 0 HB THR A 43 -10.655 -1.515 -2.143 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.483 -3.272 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.687 -1.119 -4.420 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.891 0.411 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.279 -0.330 -3.672 1.00 0.00 H new ATOM 676 N LEU A 44 -10.797 -0.778 0.624 1.00 0.00 N ATOM 677 CA LEU A 44 -11.521 -1.480 1.682 1.00 0.00 C ATOM 678 C LEU A 44 -12.062 -2.853 1.262 1.00 0.00 C ATOM 679 O LEU A 44 -12.623 -3.567 2.093 1.00 0.00 O ATOM 680 CB LEU A 44 -12.702 -0.618 2.146 1.00 0.00 C ATOM 681 CG LEU A 44 -12.322 0.722 2.801 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.550 1.287 3.525 1.00 0.00 C ATOM 683 CD2 LEU A 44 -11.197 0.546 3.818 1.00 0.00 C ATOM 0 H LEU A 44 -11.338 -0.029 0.192 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.800 -1.650 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.342 -0.415 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.295 -1.195 2.856 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.981 1.400 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.291 2.237 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.355 1.443 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.877 0.583 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.953 1.511 4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.518 -0.142 4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.316 0.143 3.319 1.00 0.00 H new ATOM 695 N GLU A 45 -11.943 -3.219 -0.009 1.00 0.00 N ATOM 696 CA GLU A 45 -12.496 -4.441 -0.594 1.00 0.00 C ATOM 697 C GLU A 45 -11.434 -5.277 -1.305 1.00 0.00 C ATOM 698 O GLU A 45 -10.345 -4.767 -1.589 1.00 0.00 O ATOM 699 CB GLU A 45 -13.685 -4.091 -1.499 1.00 0.00 C ATOM 700 CG GLU A 45 -13.446 -3.026 -2.578 1.00 0.00 C ATOM 701 CD GLU A 45 -14.771 -2.329 -2.901 1.00 0.00 C ATOM 702 OE1 GLU A 45 -15.647 -2.877 -3.601 1.00 0.00 O ATOM 703 OE2 GLU A 45 -15.028 -1.282 -2.254 1.00 0.00 O ATOM 0 H GLU A 45 -11.439 -2.651 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.863 -5.076 0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.017 -5.005 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.506 -3.754 -0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.713 -2.297 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.036 -3.487 -3.476 1.00 0.00 H new ATOM 710 N SER A 46 -11.753 -6.554 -1.553 1.00 0.00 N ATOM 711 CA SER A 46 -10.851 -7.560 -2.093 1.00 0.00 C ATOM 712 C SER A 46 -11.078 -7.792 -3.598 1.00 0.00 C ATOM 713 O SER A 46 -12.196 -7.598 -4.078 1.00 0.00 O ATOM 714 CB SER A 46 -11.002 -8.869 -1.301 1.00 0.00 C ATOM 715 OG SER A 46 -12.337 -9.356 -1.247 1.00 0.00 O ATOM 0 H SER A 46 -12.687 -6.922 -1.373 1.00 0.00 H new ATOM 0 HA SER A 46 -9.830 -7.193 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.365 -9.631 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.641 -8.712 -0.285 1.00 0.00 H new ATOM 0 HG SER A 46 -12.361 -10.189 -0.731 1.00 0.00 H new ATOM 721 N PRO A 47 -10.071 -8.313 -4.321 1.00 0.00 N ATOM 722 CA PRO A 47 -8.676 -8.296 -3.909 1.00 0.00 C ATOM 723 C PRO A 47 -8.237 -6.849 -3.770 1.00 0.00 C ATOM 724 O PRO A 47 -8.762 -5.946 -4.423 1.00 0.00 O ATOM 725 CB PRO A 47 -7.910 -9.027 -5.000 1.00 0.00 C ATOM 726 CG PRO A 47 -8.736 -8.716 -6.244 1.00 0.00 C ATOM 727 CD PRO A 47 -10.164 -8.700 -5.717 1.00 0.00 C ATOM 0 HA PRO A 47 -8.501 -8.782 -2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.886 -8.664 -5.091 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.852 -10.098 -4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.458 -7.758 -6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.600 -9.472 -7.017 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.779 -7.995 -6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.629 -9.680 -5.820 1.00 0.00 H new ATOM 735 N VAL A 48 -7.343 -6.640 -2.815 1.00 0.00 N ATOM 736 CA VAL A 48 -7.011 -5.303 -2.396 1.00 0.00 C ATOM 737 C VAL A 48 -6.240 -4.675 -3.552 1.00 0.00 C ATOM 738 O VAL A 48 -5.239 -5.231 -4.025 1.00 0.00 O ATOM 739 CB VAL A 48 -6.296 -5.353 -1.042 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.820 -3.975 -0.596 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.217 -5.929 0.043 1.00 0.00 C ATOM 0 H VAL A 48 -6.842 -7.380 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.873 -4.664 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.428 -5.999 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.319 -4.058 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.124 -3.574 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.676 -3.307 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.686 -5.954 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.104 -5.302 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.516 -6.940 -0.233 1.00 0.00 H new ATOM 751 N GLU A 49 -6.766 -3.573 -4.074 1.00 0.00 N ATOM 752 CA GLU A 49 -6.140 -2.814 -5.128 1.00 0.00 C ATOM 753 C GLU A 49 -5.315 -1.745 -4.448 1.00 0.00 C ATOM 754 O GLU A 49 -5.802 -0.835 -3.778 1.00 0.00 O ATOM 755 CB GLU A 49 -7.149 -2.309 -6.168 1.00 0.00 C ATOM 756 CG GLU A 49 -7.623 -3.520 -6.989 1.00 0.00 C ATOM 757 CD GLU A 49 -7.794 -3.269 -8.487 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.648 -2.458 -8.908 1.00 0.00 O ATOM 759 OE2 GLU A 49 -7.019 -3.898 -9.254 1.00 0.00 O ATOM 0 H GLU A 49 -7.656 -3.182 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.479 -3.431 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.994 -1.826 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.688 -1.564 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.909 -4.332 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.575 -3.862 -6.584 1.00 0.00 H new ATOM 766 N PHE A 50 -4.017 -1.943 -4.582 1.00 0.00 N ATOM 767 CA PHE A 50 -2.998 -1.035 -4.112 1.00 0.00 C ATOM 768 C PHE A 50 -2.880 0.059 -5.157 1.00 0.00 C ATOM 769 O PHE A 50 -2.378 -0.212 -6.247 1.00 0.00 O ATOM 770 CB PHE A 50 -1.684 -1.805 -3.933 1.00 0.00 C ATOM 771 CG PHE A 50 -1.816 -2.969 -2.977 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.016 -2.729 -1.608 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.778 -4.288 -3.464 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.182 -3.810 -0.729 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.964 -5.368 -2.588 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.156 -5.129 -1.217 1.00 0.00 C ATOM 0 H PHE A 50 -3.634 -2.771 -5.038 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.244 -0.594 -3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.348 -2.173 -4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.916 -1.124 -3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.042 -1.716 -1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.605 -4.470 -4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.330 -3.629 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.960 -6.380 -2.966 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.284 -5.959 -0.537 1.00 0.00 H new ATOM 786 N HIS A 51 -3.313 1.283 -4.879 1.00 0.00 N ATOM 787 CA HIS A 51 -3.056 2.392 -5.795 1.00 0.00 C ATOM 788 C HIS A 51 -1.790 3.125 -5.364 1.00 0.00 C ATOM 789 O HIS A 51 -1.369 3.001 -4.214 1.00 0.00 O ATOM 790 CB HIS A 51 -4.245 3.349 -5.893 1.00 0.00 C ATOM 791 CG HIS A 51 -5.625 2.788 -5.625 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.138 1.660 -6.195 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.622 3.351 -4.850 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.477 1.552 -5.815 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.717 2.577 -4.978 1.00 0.00 N flip ATOM 0 H HIS A 51 -3.836 1.533 -4.040 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.910 1.981 -6.794 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.075 4.168 -5.194 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.247 3.780 -6.894 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.538 4.246 -4.252 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.180 0.796 -6.130 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.605 2.745 -4.506 1.00 0.00 H new ATOM 803 N LEU A 52 -1.173 3.871 -6.270 1.00 0.00 N ATOM 804 CA LEU A 52 -0.055 4.764 -5.976 1.00 0.00 C ATOM 805 C LEU A 52 0.027 5.828 -7.055 1.00 0.00 C ATOM 806 O LEU A 52 0.149 5.498 -8.235 1.00 0.00 O ATOM 807 CB LEU A 52 1.268 3.987 -5.952 1.00 0.00 C ATOM 808 CG LEU A 52 2.533 4.863 -5.809 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.531 5.727 -4.544 1.00 0.00 C ATOM 810 CD2 LEU A 52 3.762 3.950 -5.771 1.00 0.00 C ATOM 0 H LEU A 52 -1.441 3.874 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.219 5.218 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.240 3.276 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.348 3.406 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 52 2.553 5.539 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.447 6.317 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.670 6.395 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.475 5.085 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.662 4.556 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.685 3.271 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.815 3.372 -6.694 1.00 0.00 H new ATOM 822 N ASP A 53 0.018 7.090 -6.635 1.00 0.00 N ATOM 823 CA ASP A 53 0.172 8.317 -7.414 1.00 0.00 C ATOM 824 C ASP A 53 -1.081 8.580 -8.224 1.00 0.00 C ATOM 825 O ASP A 53 -1.775 9.579 -8.023 1.00 0.00 O ATOM 826 CB ASP A 53 1.443 8.352 -8.284 1.00 0.00 C ATOM 827 CG ASP A 53 1.851 9.801 -8.548 1.00 0.00 C ATOM 828 OD1 ASP A 53 1.959 10.551 -7.548 1.00 0.00 O ATOM 829 OD2 ASP A 53 2.084 10.174 -9.720 1.00 0.00 O ATOM 0 H ASP A 53 -0.110 7.300 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 53 0.308 9.129 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.253 7.822 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.263 7.838 -9.228 1.00 0.00 H new ATOM 834 N GLY A 54 -1.429 7.611 -9.049 1.00 0.00 N ATOM 835 CA GLY A 54 -2.702 7.459 -9.690 1.00 0.00 C ATOM 836 C GLY A 54 -2.761 6.170 -10.503 1.00 0.00 C ATOM 837 O GLY A 54 -3.653 6.031 -11.340 1.00 0.00 O ATOM 0 H GLY A 54 -0.780 6.865 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.492 7.454 -8.939 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.888 8.312 -10.343 1.00 0.00 H new ATOM 841 N GLU A 55 -1.869 5.210 -10.260 1.00 0.00 N ATOM 842 CA GLU A 55 -1.804 3.920 -10.919 1.00 0.00 C ATOM 843 C GLU A 55 -2.220 2.897 -9.878 1.00 0.00 C ATOM 844 O GLU A 55 -1.641 2.815 -8.800 1.00 0.00 O ATOM 845 CB GLU A 55 -0.380 3.656 -11.435 1.00 0.00 C ATOM 846 CG GLU A 55 -0.242 4.174 -12.873 1.00 0.00 C ATOM 847 CD GLU A 55 1.200 4.352 -13.366 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.187 4.073 -12.642 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.390 4.872 -14.491 1.00 0.00 O ATOM 0 H GLU A 55 -1.136 5.324 -9.560 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.460 3.873 -11.788 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.347 4.149 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.164 2.588 -11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.755 3.483 -13.542 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.756 5.132 -12.948 1.00 0.00 H new ATOM 856 N VAL A 56 -3.272 2.146 -10.168 1.00 0.00 N ATOM 857 CA VAL A 56 -3.512 0.893 -9.468 1.00 0.00 C ATOM 858 C VAL A 56 -2.373 -0.056 -9.855 1.00 0.00 C ATOM 859 O VAL A 56 -2.237 -0.384 -11.038 1.00 0.00 O ATOM 860 CB VAL A 56 -4.885 0.292 -9.812 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.113 -0.943 -8.938 1.00 0.00 C ATOM 862 CG2 VAL A 56 -6.011 1.326 -9.627 1.00 0.00 C ATOM 0 H VAL A 56 -3.967 2.379 -10.877 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.529 1.061 -8.391 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.899 -0.001 -10.862 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.084 -1.380 -9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.329 -1.676 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.088 -0.655 -7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.969 0.870 -9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.030 1.662 -8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.833 2.179 -10.281 1.00 0.00 H new ATOM 872 N LEU A 57 -1.560 -0.458 -8.881 1.00 0.00 N ATOM 873 CA LEU A 57 -0.469 -1.420 -9.023 1.00 0.00 C ATOM 874 C LEU A 57 -0.971 -2.821 -8.647 1.00 0.00 C ATOM 875 O LEU A 57 -2.148 -3.000 -8.319 1.00 0.00 O ATOM 876 CB LEU A 57 0.740 -0.994 -8.157 1.00 0.00 C ATOM 877 CG LEU A 57 1.148 0.492 -8.290 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.296 0.841 -7.331 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.529 0.832 -9.737 1.00 0.00 C ATOM 0 H LEU A 57 -1.648 -0.106 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.133 -1.444 -10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.509 -1.200 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.595 -1.615 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 57 0.284 1.097 -8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.561 1.892 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.980 0.658 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.163 0.221 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.811 1.883 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.369 0.211 -10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.678 0.644 -10.391 1.00 0.00 H new ATOM 891 N SER A 58 -0.080 -3.812 -8.682 1.00 0.00 N ATOM 892 CA SER A 58 -0.351 -5.208 -8.349 1.00 0.00 C ATOM 893 C SER A 58 0.452 -5.586 -7.106 1.00 0.00 C ATOM 894 O SER A 58 1.401 -4.883 -6.772 1.00 0.00 O ATOM 895 CB SER A 58 0.049 -6.050 -9.558 1.00 0.00 C ATOM 896 OG SER A 58 -0.694 -5.653 -10.688 1.00 0.00 O ATOM 0 H SER A 58 0.890 -3.656 -8.955 1.00 0.00 H new ATOM 0 HA SER A 58 -1.404 -5.378 -8.126 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.115 -5.936 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.125 -7.106 -9.350 1.00 0.00 H new ATOM 0 HG SER A 58 -0.431 -6.196 -11.460 1.00 0.00 H new ATOM 902 N LEU A 59 0.125 -6.689 -6.429 1.00 0.00 N ATOM 903 CA LEU A 59 0.684 -7.028 -5.117 1.00 0.00 C ATOM 904 C LEU A 59 2.177 -7.300 -5.236 1.00 0.00 C ATOM 905 O LEU A 59 2.983 -6.823 -4.440 1.00 0.00 O ATOM 906 CB LEU A 59 -0.047 -8.257 -4.554 1.00 0.00 C ATOM 907 CG LEU A 59 0.625 -8.874 -3.309 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.752 -7.928 -2.115 1.00 0.00 C ATOM 909 CD2 LEU A 59 -0.183 -10.076 -2.832 1.00 0.00 C ATOM 0 H LEU A 59 -0.541 -7.378 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 59 0.545 -6.189 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.068 -7.974 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.111 -9.017 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 59 1.631 -9.137 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.235 -8.448 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.351 -7.062 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.240 -7.598 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.294 -10.509 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.193 -9.757 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.228 -10.822 -3.625 1.00 0.00 H new ATOM 921 N ASP A 60 2.540 -8.103 -6.228 1.00 0.00 N ATOM 922 CA ASP A 60 3.929 -8.480 -6.461 1.00 0.00 C ATOM 923 C ASP A 60 4.740 -7.287 -6.912 1.00 0.00 C ATOM 924 O ASP A 60 5.875 -7.068 -6.475 1.00 0.00 O ATOM 925 CB ASP A 60 3.998 -9.541 -7.553 1.00 0.00 C ATOM 926 CG ASP A 60 4.819 -10.721 -7.056 1.00 0.00 C ATOM 927 OD1 ASP A 60 6.068 -10.646 -7.104 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.245 -11.703 -6.532 1.00 0.00 O ATOM 0 H ASP A 60 1.882 -8.511 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 60 4.335 -8.865 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.994 -9.869 -7.821 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.448 -9.124 -8.454 1.00 0.00 H new ATOM 933 N LYS A 61 4.124 -6.524 -7.813 1.00 0.00 N ATOM 934 CA LYS A 61 4.738 -5.379 -8.424 1.00 0.00 C ATOM 935 C LYS A 61 5.033 -4.359 -7.363 1.00 0.00 C ATOM 936 O LYS A 61 6.170 -3.927 -7.259 1.00 0.00 O ATOM 937 CB LYS A 61 3.841 -4.785 -9.509 1.00 0.00 C ATOM 938 CG LYS A 61 4.777 -4.330 -10.617 1.00 0.00 C ATOM 939 CD LYS A 61 4.058 -3.386 -11.582 1.00 0.00 C ATOM 940 CE LYS A 61 5.014 -2.599 -12.484 1.00 0.00 C ATOM 941 NZ LYS A 61 5.909 -3.478 -13.260 1.00 0.00 N ATOM 0 H LYS A 61 3.172 -6.698 -8.134 1.00 0.00 H new ATOM 0 HA LYS A 61 5.667 -5.687 -8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.130 -5.525 -9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.259 -3.949 -9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.642 -3.826 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.152 -5.197 -11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.376 -3.965 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.450 -2.685 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.435 -1.979 -13.169 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.613 -1.924 -11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.489 -2.902 -13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.529 -4.002 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.341 -4.150 -13.814 1.00 0.00 H new ATOM 955 N LEU A 62 4.030 -4.033 -6.551 1.00 0.00 N ATOM 956 CA LEU A 62 4.093 -3.104 -5.447 1.00 0.00 C ATOM 957 C LEU A 62 5.362 -3.372 -4.664 1.00 0.00 C ATOM 958 O LEU A 62 6.162 -2.464 -4.514 1.00 0.00 O ATOM 959 CB LEU A 62 2.852 -3.281 -4.566 1.00 0.00 C ATOM 960 CG LEU A 62 2.877 -2.442 -3.286 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.947 -0.944 -3.592 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.627 -2.735 -2.464 1.00 0.00 C ATOM 0 H LEU A 62 3.101 -4.439 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 62 4.111 -2.075 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.967 -3.017 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.756 -4.333 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 62 3.771 -2.712 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.963 -0.382 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.853 -0.730 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.075 -0.651 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.643 -2.138 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.741 -2.483 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.602 -3.793 -2.205 1.00 0.00 H new ATOM 974 N LYS A 63 5.619 -4.617 -4.252 1.00 0.00 N ATOM 975 CA LYS A 63 6.842 -4.920 -3.508 1.00 0.00 C ATOM 976 C LYS A 63 8.108 -4.448 -4.250 1.00 0.00 C ATOM 977 O LYS A 63 8.945 -3.765 -3.667 1.00 0.00 O ATOM 978 CB LYS A 63 6.929 -6.418 -3.179 1.00 0.00 C ATOM 979 CG LYS A 63 5.756 -6.911 -2.318 1.00 0.00 C ATOM 980 CD LYS A 63 5.675 -8.439 -2.363 1.00 0.00 C ATOM 981 CE LYS A 63 4.430 -8.919 -1.616 1.00 0.00 C ATOM 982 NZ LYS A 63 4.273 -10.381 -1.725 1.00 0.00 N ATOM 0 H LYS A 63 5.008 -5.417 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 63 6.791 -4.363 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.956 -6.988 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.865 -6.616 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.885 -6.576 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.823 -6.479 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.642 -8.779 -3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.569 -8.872 -1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.501 -8.636 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.547 -8.425 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.420 -10.678 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.182 -10.647 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.106 -10.851 -1.317 1.00 0.00 H new ATOM 996 N SER A 64 8.227 -4.747 -5.546 1.00 0.00 N ATOM 997 CA SER A 64 9.309 -4.270 -6.421 1.00 0.00 C ATOM 998 C SER A 64 9.350 -2.734 -6.530 1.00 0.00 C ATOM 999 O SER A 64 10.426 -2.146 -6.683 1.00 0.00 O ATOM 1000 CB SER A 64 9.139 -4.911 -7.811 1.00 0.00 C ATOM 1001 OG SER A 64 10.218 -4.648 -8.690 1.00 0.00 O ATOM 0 H SER A 64 7.557 -5.343 -6.032 1.00 0.00 H new ATOM 0 HA SER A 64 10.261 -4.568 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.030 -5.989 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.216 -4.544 -8.261 1.00 0.00 H new ATOM 0 HG SER A 64 10.051 -5.082 -9.552 1.00 0.00 H new ATOM 1007 N LEU A 65 8.189 -2.077 -6.496 1.00 0.00 N ATOM 1008 CA LEU A 65 8.025 -0.630 -6.618 1.00 0.00 C ATOM 1009 C LEU A 65 8.259 0.084 -5.285 1.00 0.00 C ATOM 1010 O LEU A 65 8.422 1.303 -5.272 1.00 0.00 O ATOM 1011 CB LEU A 65 6.612 -0.292 -7.138 1.00 0.00 C ATOM 1012 CG LEU A 65 6.245 -0.876 -8.516 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.837 -0.480 -8.909 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.228 -0.424 -9.598 1.00 0.00 C ATOM 0 H LEU A 65 7.299 -2.562 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 65 8.774 -0.280 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.883 -0.646 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.513 0.792 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 65 6.302 -1.961 -8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.599 -0.903 -9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.133 -0.858 -8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.765 0.607 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.938 -0.855 -10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.215 0.664 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.233 -0.758 -9.339 1.00 0.00 H new ATOM 1026 N LEU A 66 8.226 -0.632 -4.161 1.00 0.00 N ATOM 1027 CA LEU A 66 8.498 -0.116 -2.819 1.00 0.00 C ATOM 1028 C LEU A 66 9.955 -0.355 -2.422 1.00 0.00 C ATOM 1029 O LEU A 66 10.408 0.119 -1.378 1.00 0.00 O ATOM 1030 CB LEU A 66 7.625 -0.843 -1.794 1.00 0.00 C ATOM 1031 CG LEU A 66 6.113 -0.612 -1.912 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.378 -1.603 -1.021 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.644 0.782 -1.540 1.00 0.00 C ATOM 0 H LEU A 66 8.000 -1.627 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 66 8.285 0.953 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.816 -1.913 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.942 -0.539 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 66 5.887 -0.748 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.304 -1.440 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.616 -2.620 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.688 -1.460 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.562 0.845 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.911 0.991 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.122 1.513 -2.192 1.00 0.00 H new ATOM 1045 N SER A 67 10.672 -1.138 -3.224 1.00 0.00 N ATOM 1046 CA SER A 67 12.105 -1.294 -3.151 1.00 0.00 C ATOM 1047 C SER A 67 12.738 0.078 -3.382 1.00 0.00 C ATOM 1048 O SER A 67 13.777 0.332 -2.732 1.00 0.00 O ATOM 1049 CB SER A 67 12.482 -2.367 -4.177 1.00 0.00 C ATOM 1050 OG SER A 67 13.768 -2.903 -3.951 1.00 0.00 O ATOM 0 H SER A 67 10.248 -1.696 -3.965 1.00 0.00 H new ATOM 0 HA SER A 67 12.474 -1.633 -2.183 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.746 -3.171 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.442 -1.938 -5.178 1.00 0.00 H new ATOM 0 HG SER A 67 13.962 -3.584 -4.629 1.00 0.00 H new