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 Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.12) USER MOD Single : A 9 THR OG1 : rot 44:sc= 0.0961 USER MOD Single : A 11 SER OG : rot -53:sc= 1.17 USER MOD Single : A 15 SER OG : rot 82:sc= 1.26 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 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -160:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.83 K(o=0.83,f=-0.13) USER MOD Single : A 26 THR OG1 : rot -58:sc= 0.978 USER MOD Single : A 34 LYS NZ :NH3+ 155:sc=-0.00494 (180deg=-0.215) 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= -1 K(o=-1,f=-5.5!) USER MOD Single : A 43 THR OG1 : rot 104:sc= -0.335 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -2.77! K(o=-2.8!,f=-0.94) 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 -40:sc= 0.0195 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -4.480 -12.642 -0.696 1.00 0.00 N ATOM 9 CA SER A 2 -3.088 -12.529 -0.240 1.00 0.00 C ATOM 10 C SER A 2 -2.681 -11.062 -0.087 1.00 0.00 C ATOM 11 O SER A 2 -1.691 -10.730 0.561 1.00 0.00 O ATOM 12 CB SER A 2 -2.160 -13.154 -1.284 1.00 0.00 C ATOM 13 OG SER A 2 -1.529 -14.287 -0.708 1.00 0.00 O ATOM 0 HA SER A 2 -3.007 -13.038 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.727 -13.445 -2.168 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.413 -12.429 -1.609 1.00 0.00 H new ATOM 0 HG SER A 2 -0.932 -14.699 -1.367 1.00 0.00 H new ATOM 19 N GLU A 3 -3.416 -10.185 -0.747 1.00 0.00 N ATOM 20 CA GLU A 3 -3.191 -8.771 -0.809 1.00 0.00 C ATOM 21 C GLU A 3 -3.581 -8.169 0.547 1.00 0.00 C ATOM 22 O GLU A 3 -2.846 -7.362 1.107 1.00 0.00 O ATOM 23 CB GLU A 3 -4.006 -8.201 -1.984 1.00 0.00 C ATOM 24 CG GLU A 3 -4.006 -8.998 -3.305 1.00 0.00 C ATOM 25 CD GLU A 3 -5.114 -10.055 -3.445 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.506 -10.659 -2.418 1.00 0.00 O ATOM 27 OE2 GLU A 3 -5.551 -10.309 -4.593 1.00 0.00 O ATOM 0 H GLU A 3 -4.235 -10.470 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.146 -8.522 -0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.040 -8.095 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.634 -7.199 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.094 -8.294 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.041 -9.494 -3.409 1.00 0.00 H new ATOM 34 N GLU A 4 -4.687 -8.653 1.123 1.00 0.00 N ATOM 35 CA GLU A 4 -5.122 -8.363 2.494 1.00 0.00 C ATOM 36 C GLU A 4 -3.963 -8.607 3.467 1.00 0.00 C ATOM 37 O GLU A 4 -3.628 -7.757 4.290 1.00 0.00 O ATOM 38 CB GLU A 4 -6.314 -9.268 2.863 1.00 0.00 C ATOM 39 CG GLU A 4 -7.498 -9.109 1.902 1.00 0.00 C ATOM 40 CD GLU A 4 -8.672 -10.019 2.261 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.490 -11.256 2.164 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.777 -9.514 2.553 1.00 0.00 O ATOM 0 H GLU A 4 -5.325 -9.278 0.631 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.431 -7.320 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.989 -10.308 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.641 -9.036 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.831 -8.071 1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.169 -9.330 0.886 1.00 0.00 H new ATOM 49 N HIS A 5 -3.292 -9.752 3.316 1.00 0.00 N ATOM 50 CA HIS A 5 -2.182 -10.123 4.177 1.00 0.00 C ATOM 51 C HIS A 5 -1.006 -9.158 3.997 1.00 0.00 C ATOM 52 O HIS A 5 -0.332 -8.866 4.976 1.00 0.00 O ATOM 53 CB HIS A 5 -1.815 -11.588 3.915 1.00 0.00 C ATOM 54 CG HIS A 5 -0.647 -12.164 4.691 1.00 0.00 C ATOM 55 ND1 HIS A 5 -0.032 -13.350 4.371 1.00 0.00 N ATOM 56 CD2 HIS A 5 -0.020 -11.670 5.808 1.00 0.00 C ATOM 57 CE1 HIS A 5 0.929 -13.575 5.284 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.004 -12.560 6.160 1.00 0.00 N ATOM 0 H HIS A 5 -3.507 -10.441 2.595 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.471 -10.039 5.225 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.693 -12.198 4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.599 -11.696 2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.272 -10.756 6.325 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.556 -14.454 5.309 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.670 -12.458 6.925 1.00 0.00 H new ATOM 66 N PHE A 6 -0.764 -8.611 2.801 1.00 0.00 N ATOM 67 CA PHE A 6 0.337 -7.669 2.622 1.00 0.00 C ATOM 68 C PHE A 6 0.106 -6.357 3.370 1.00 0.00 C ATOM 69 O PHE A 6 1.056 -5.750 3.868 1.00 0.00 O ATOM 70 CB PHE A 6 0.552 -7.378 1.138 1.00 0.00 C ATOM 71 CG PHE A 6 1.817 -6.580 0.868 1.00 0.00 C ATOM 72 CD1 PHE A 6 3.079 -7.198 0.920 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.738 -5.195 0.646 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.253 -6.437 0.744 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.908 -4.429 0.495 1.00 0.00 C ATOM 76 CZ PHE A 6 4.168 -5.048 0.539 1.00 0.00 C ATOM 0 H PHE A 6 -1.307 -8.802 1.959 1.00 0.00 H new ATOM 0 HA PHE A 6 1.227 -8.139 3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.599 -8.320 0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.307 -6.829 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.149 -8.261 1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.772 -4.715 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.218 -6.921 0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.837 -3.362 0.345 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.066 -4.461 0.416 1.00 0.00 H new ATOM 86 N VAL A 7 -1.147 -5.903 3.434 1.00 0.00 N ATOM 87 CA VAL A 7 -1.525 -4.816 4.338 1.00 0.00 C ATOM 88 C VAL A 7 -1.143 -5.214 5.752 1.00 0.00 C ATOM 89 O VAL A 7 -0.512 -4.442 6.479 1.00 0.00 O ATOM 90 CB VAL A 7 -3.025 -4.475 4.255 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.376 -3.299 5.175 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.424 -4.142 2.816 1.00 0.00 C ATOM 0 H VAL A 7 -1.915 -6.270 2.872 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.991 -3.914 4.039 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.582 -5.352 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.441 -3.080 5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.134 -3.559 6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.802 -2.421 4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.487 -3.904 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.848 -3.285 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.222 -5.000 2.175 1.00 0.00 H new ATOM 102 N GLU A 8 -1.538 -6.425 6.127 1.00 0.00 N ATOM 103 CA GLU A 8 -1.435 -6.871 7.493 1.00 0.00 C ATOM 104 C GLU A 8 0.026 -6.907 7.922 1.00 0.00 C ATOM 105 O GLU A 8 0.336 -6.344 8.969 1.00 0.00 O ATOM 106 CB GLU A 8 -2.164 -8.198 7.711 1.00 0.00 C ATOM 107 CG GLU A 8 -2.265 -8.475 9.214 1.00 0.00 C ATOM 108 CD GLU A 8 -3.264 -9.587 9.513 1.00 0.00 C ATOM 109 OE1 GLU A 8 -2.870 -10.774 9.419 1.00 0.00 O ATOM 110 OE2 GLU A 8 -4.402 -9.253 9.922 1.00 0.00 O ATOM 0 H GLU A 8 -1.935 -7.115 5.489 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.942 -6.154 8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.159 -8.157 7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.628 -9.007 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.284 -8.752 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.566 -7.565 9.733 1.00 0.00 H new ATOM 117 N THR A 9 0.934 -7.465 7.122 1.00 0.00 N ATOM 118 CA THR A 9 2.330 -7.593 7.502 1.00 0.00 C ATOM 119 C THR A 9 2.951 -6.233 7.784 1.00 0.00 C ATOM 120 O THR A 9 3.656 -6.069 8.789 1.00 0.00 O ATOM 121 CB THR A 9 3.141 -8.280 6.397 1.00 0.00 C ATOM 122 OG1 THR A 9 2.573 -8.162 5.117 1.00 0.00 O ATOM 123 CG2 THR A 9 3.359 -9.763 6.694 1.00 0.00 C ATOM 0 H THR A 9 0.718 -7.838 6.197 1.00 0.00 H new ATOM 0 HA THR A 9 2.357 -8.199 8.407 1.00 0.00 H new ATOM 0 HB THR A 9 4.094 -7.751 6.392 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.261 -7.243 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.938 -10.214 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.901 -9.870 7.634 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.394 -10.264 6.773 1.00 0.00 H new ATOM 131 N VAL A 10 2.722 -5.267 6.892 1.00 0.00 N ATOM 132 CA VAL A 10 3.257 -3.939 7.096 1.00 0.00 C ATOM 133 C VAL A 10 2.578 -3.320 8.324 1.00 0.00 C ATOM 134 O VAL A 10 3.275 -2.669 9.099 1.00 0.00 O ATOM 135 CB VAL A 10 3.111 -3.084 5.830 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.668 -1.677 6.079 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.786 -3.661 4.583 1.00 0.00 C ATOM 0 H VAL A 10 2.177 -5.385 6.038 1.00 0.00 H new ATOM 0 HA VAL A 10 4.328 -3.989 7.291 1.00 0.00 H new ATOM 0 HB VAL A 10 2.041 -3.064 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.560 -1.078 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.118 -1.207 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.723 -1.745 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.629 -2.988 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.855 -3.771 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.355 -4.636 4.354 1.00 0.00 H new ATOM 147 N SER A 11 1.279 -3.552 8.565 1.00 0.00 N ATOM 148 CA SER A 11 0.610 -2.995 9.737 1.00 0.00 C ATOM 149 C SER A 11 1.322 -3.375 11.023 1.00 0.00 C ATOM 150 O SER A 11 1.440 -2.548 11.927 1.00 0.00 O ATOM 151 CB SER A 11 -0.888 -3.328 9.756 1.00 0.00 C ATOM 152 OG SER A 11 -1.222 -4.643 10.167 1.00 0.00 O ATOM 0 H SER A 11 0.679 -4.118 7.965 1.00 0.00 H new ATOM 0 HA SER A 11 0.673 -1.909 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.390 -2.622 10.418 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.290 -3.167 8.755 1.00 0.00 H new ATOM 0 HG SER A 11 -0.715 -5.291 9.635 1.00 0.00 H new ATOM 158 N LEU A 12 1.877 -4.586 11.084 1.00 0.00 N ATOM 159 CA LEU A 12 2.570 -5.027 12.275 1.00 0.00 C ATOM 160 C LEU A 12 3.844 -4.204 12.467 1.00 0.00 C ATOM 161 O LEU A 12 4.111 -3.700 13.564 1.00 0.00 O ATOM 162 CB LEU A 12 2.928 -6.522 12.209 1.00 0.00 C ATOM 163 CG LEU A 12 1.779 -7.453 11.804 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.272 -8.904 11.813 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.540 -7.303 12.692 1.00 0.00 C ATOM 0 H LEU A 12 1.856 -5.267 10.325 1.00 0.00 H new ATOM 0 HA LEU A 12 1.899 -4.880 13.121 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.746 -6.652 11.501 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.299 -6.833 13.185 1.00 0.00 H new ATOM 0 HG LEU A 12 1.469 -7.167 10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.456 -9.567 11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.095 -9.013 11.106 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.616 -9.165 12.814 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.236 -7.989 12.353 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.802 -7.534 13.725 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.171 -6.279 12.632 1.00 0.00 H new ATOM 177 N ALA A 13 4.645 -4.102 11.400 1.00 0.00 N ATOM 178 CA ALA A 13 5.928 -3.408 11.384 1.00 0.00 C ATOM 179 C ALA A 13 5.774 -1.896 11.542 1.00 0.00 C ATOM 180 O ALA A 13 6.672 -1.249 12.074 1.00 0.00 O ATOM 181 CB ALA A 13 6.648 -3.701 10.063 1.00 0.00 C ATOM 0 H ALA A 13 4.406 -4.515 10.498 1.00 0.00 H new ATOM 0 HA ALA A 13 6.507 -3.774 12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.607 -3.183 10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.813 -4.774 9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.036 -3.354 9.230 1.00 0.00 H new ATOM 187 N GLY A 14 4.670 -1.324 11.067 1.00 0.00 N ATOM 188 CA GLY A 14 4.490 0.112 10.920 1.00 0.00 C ATOM 189 C GLY A 14 5.250 0.685 9.717 1.00 0.00 C ATOM 190 O GLY A 14 5.333 1.903 9.569 1.00 0.00 O ATOM 0 H GLY A 14 3.858 -1.863 10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.428 0.331 10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.827 0.611 11.829 1.00 0.00 H new ATOM 194 N SER A 15 5.815 -0.143 8.831 1.00 0.00 N ATOM 195 CA SER A 15 6.582 0.320 7.679 1.00 0.00 C ATOM 196 C SER A 15 6.902 -0.860 6.758 1.00 0.00 C ATOM 197 O SER A 15 6.675 -2.020 7.103 1.00 0.00 O ATOM 198 CB SER A 15 7.822 1.073 8.207 1.00 0.00 C ATOM 199 OG SER A 15 8.986 0.923 7.423 1.00 0.00 O ATOM 0 H SER A 15 5.750 -1.159 8.897 1.00 0.00 H new ATOM 0 HA SER A 15 6.016 1.018 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.582 2.134 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.036 0.727 9.218 1.00 0.00 H new ATOM 0 HG SER A 15 8.955 1.548 6.669 1.00 0.00 H new ATOM 205 N TYR A 16 7.414 -0.551 5.564 1.00 0.00 N ATOM 206 CA TYR A 16 7.977 -1.514 4.632 1.00 0.00 C ATOM 207 C TYR A 16 9.228 -0.908 4.009 1.00 0.00 C ATOM 208 O TYR A 16 9.137 0.177 3.436 1.00 0.00 O ATOM 209 CB TYR A 16 6.957 -1.849 3.540 1.00 0.00 C ATOM 210 CG TYR A 16 7.353 -3.044 2.704 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.216 -4.334 3.236 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.876 -2.874 1.412 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.561 -5.453 2.468 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.220 -3.989 0.624 1.00 0.00 C ATOM 215 CZ TYR A 16 8.058 -5.292 1.155 1.00 0.00 C ATOM 216 OH TYR A 16 8.380 -6.381 0.406 1.00 0.00 O ATOM 0 H TYR A 16 7.446 0.407 5.215 1.00 0.00 H new ATOM 0 HA TYR A 16 8.231 -2.434 5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.989 -2.042 4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.833 -0.983 2.889 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.843 -4.465 4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.016 -1.878 1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.447 -6.444 2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.604 -3.852 -0.376 1.00 0.00 H new ATOM 0 HH TYR A 16 8.705 -6.090 -0.472 1.00 0.00 H new ATOM 226 N ARG A 17 10.360 -1.611 4.065 1.00 0.00 N ATOM 227 CA ARG A 17 11.680 -1.201 3.574 1.00 0.00 C ATOM 228 C ARG A 17 12.137 0.164 4.136 1.00 0.00 C ATOM 229 O ARG A 17 12.811 0.195 5.160 1.00 0.00 O ATOM 230 CB ARG A 17 11.743 -1.262 2.047 1.00 0.00 C ATOM 231 CG ARG A 17 11.514 -2.663 1.468 1.00 0.00 C ATOM 232 CD ARG A 17 12.596 -3.049 0.458 1.00 0.00 C ATOM 233 NE ARG A 17 13.774 -3.666 1.096 1.00 0.00 N ATOM 234 CZ ARG A 17 14.001 -4.982 1.209 1.00 0.00 C ATOM 235 NH1 ARG A 17 13.086 -5.868 0.825 1.00 0.00 N ATOM 236 NH2 ARG A 17 15.146 -5.438 1.696 1.00 0.00 N ATOM 0 H ARG A 17 10.383 -2.542 4.481 1.00 0.00 H new ATOM 0 HA ARG A 17 12.401 -1.923 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.996 -0.584 1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.717 -0.900 1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.498 -3.392 2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.537 -2.701 0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.177 -3.743 -0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.908 -2.161 -0.091 1.00 0.00 H new ATOM 0 HE ARG A 17 14.476 -3.037 1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.198 -5.549 0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.273 -6.867 0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.871 -4.784 1.992 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.302 -6.443 1.775 1.00 0.00 H new ATOM 250 N ASP A 18 11.748 1.279 3.510 1.00 0.00 N ATOM 251 CA ASP A 18 12.049 2.675 3.888 1.00 0.00 C ATOM 252 C ASP A 18 10.780 3.469 4.217 1.00 0.00 C ATOM 253 O ASP A 18 10.818 4.557 4.794 1.00 0.00 O ATOM 254 CB ASP A 18 12.721 3.362 2.694 1.00 0.00 C ATOM 255 CG ASP A 18 13.244 4.765 3.013 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.362 4.867 3.568 1.00 0.00 O ATOM 257 OD2 ASP A 18 12.609 5.766 2.627 1.00 0.00 O ATOM 0 H ASP A 18 11.175 1.234 2.667 1.00 0.00 H new ATOM 0 HA ASP A 18 12.688 2.652 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.549 2.744 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.007 3.427 1.873 1.00 0.00 H new ATOM 262 N TRP A 19 9.628 2.934 3.816 1.00 0.00 N ATOM 263 CA TRP A 19 8.343 3.598 3.879 1.00 0.00 C ATOM 264 C TRP A 19 7.883 3.664 5.334 1.00 0.00 C ATOM 265 O TRP A 19 8.547 3.189 6.256 1.00 0.00 O ATOM 266 CB TRP A 19 7.337 2.886 2.940 1.00 0.00 C ATOM 267 CG TRP A 19 7.712 2.801 1.482 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.783 2.170 0.943 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.038 3.434 0.354 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.816 2.372 -0.421 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.780 3.181 -0.832 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.896 4.246 0.227 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.394 3.702 -2.073 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.499 4.781 -1.005 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.249 4.511 -2.162 1.00 0.00 C ATOM 0 H TRP A 19 9.570 1.993 3.426 1.00 0.00 H new ATOM 0 HA TRP A 19 8.417 4.626 3.523 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.184 1.873 3.311 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.379 3.401 3.015 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.506 1.593 1.500 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.518 1.973 -1.045 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.308 4.463 1.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.974 3.483 -2.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.617 5.401 -1.066 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.947 4.923 -3.114 1.00 0.00 H new ATOM 286 N SER A 20 6.714 4.229 5.543 1.00 0.00 N ATOM 287 CA SER A 20 5.976 4.329 6.771 1.00 0.00 C ATOM 288 C SER A 20 4.585 3.823 6.437 1.00 0.00 C ATOM 289 O SER A 20 4.036 4.209 5.412 1.00 0.00 O ATOM 290 CB SER A 20 5.913 5.813 7.110 1.00 0.00 C ATOM 291 OG SER A 20 7.117 6.223 7.741 1.00 0.00 O ATOM 0 H SER A 20 6.211 4.673 4.775 1.00 0.00 H new ATOM 0 HA SER A 20 6.409 3.772 7.602 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.753 6.395 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.065 6.008 7.767 1.00 0.00 H new ATOM 0 HG SER A 20 7.066 7.178 7.953 1.00 0.00 H new ATOM 297 N TYR A 21 4.031 2.933 7.246 1.00 0.00 N ATOM 298 CA TYR A 21 2.603 2.646 7.230 1.00 0.00 C ATOM 299 C TYR A 21 1.852 3.900 7.708 1.00 0.00 C ATOM 300 O TYR A 21 2.435 4.756 8.379 1.00 0.00 O ATOM 301 CB TYR A 21 2.395 1.459 8.180 1.00 0.00 C ATOM 302 CG TYR A 21 0.981 0.995 8.433 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.364 0.053 7.589 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.307 1.463 9.573 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.927 -0.421 7.883 1.00 0.00 C ATOM 306 CE2 TYR A 21 -0.981 0.998 9.867 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.603 0.054 9.027 1.00 0.00 C ATOM 308 OH TYR A 21 -2.845 -0.406 9.331 1.00 0.00 O ATOM 0 H TYR A 21 4.556 2.390 7.931 1.00 0.00 H new ATOM 0 HA TYR A 21 2.227 2.394 6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.959 0.613 7.787 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.839 1.718 9.141 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.883 -0.307 6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.782 2.182 10.224 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.399 -1.145 7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.499 1.365 10.741 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.162 0.026 10.152 1.00 0.00 H new ATOM 318 N SER A 22 0.568 3.996 7.378 1.00 0.00 N ATOM 319 CA SER A 22 -0.363 5.044 7.752 1.00 0.00 C ATOM 320 C SER A 22 -1.623 4.371 8.318 1.00 0.00 C ATOM 321 O SER A 22 -1.572 3.901 9.450 1.00 0.00 O ATOM 322 CB SER A 22 -0.546 6.038 6.598 1.00 0.00 C ATOM 323 OG SER A 22 0.671 6.702 6.300 1.00 0.00 O ATOM 0 H SER A 22 0.121 3.286 6.797 1.00 0.00 H new ATOM 0 HA SER A 22 0.008 5.683 8.553 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.903 5.511 5.713 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.309 6.771 6.862 1.00 0.00 H new ATOM 0 HG SER A 22 0.481 7.528 5.807 1.00 0.00 H new ATOM 329 N GLY A 23 -2.773 4.412 7.640 1.00 0.00 N ATOM 330 CA GLY A 23 -4.015 3.795 8.127 1.00 0.00 C ATOM 331 C GLY A 23 -5.187 4.775 8.129 1.00 0.00 C ATOM 332 O GLY A 23 -6.278 4.474 8.618 1.00 0.00 O ATOM 0 H GLY A 23 -2.872 4.874 6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.262 2.938 7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.859 3.417 9.137 1.00 0.00 H new ATOM 336 N GLN A 24 -4.973 5.969 7.579 1.00 0.00 N ATOM 337 CA GLN A 24 -5.973 7.002 7.419 1.00 0.00 C ATOM 338 C GLN A 24 -6.823 6.693 6.193 1.00 0.00 C ATOM 339 O GLN A 24 -6.340 6.830 5.071 1.00 0.00 O ATOM 340 CB GLN A 24 -5.236 8.342 7.282 1.00 0.00 C ATOM 341 CG GLN A 24 -6.184 9.523 7.072 1.00 0.00 C ATOM 342 CD GLN A 24 -7.192 9.642 8.211 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.823 9.786 9.371 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.478 9.522 7.940 1.00 0.00 N ATOM 0 H GLN A 24 -4.059 6.246 7.221 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.644 7.050 8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.639 8.516 8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.542 8.285 6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.607 10.445 6.998 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.714 9.402 6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.787 9.402 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.163 9.549 8.695 1.00 0.00 H new ATOM 353 N ARG A 25 -8.077 6.270 6.378 1.00 0.00 N ATOM 354 CA ARG A 25 -9.017 6.202 5.258 1.00 0.00 C ATOM 355 C ARG A 25 -9.267 7.584 4.655 1.00 0.00 C ATOM 356 O ARG A 25 -9.257 8.584 5.376 1.00 0.00 O ATOM 357 CB ARG A 25 -10.295 5.453 5.577 1.00 0.00 C ATOM 358 CG ARG A 25 -11.071 6.006 6.756 1.00 0.00 C ATOM 359 CD ARG A 25 -10.632 5.391 8.092 1.00 0.00 C ATOM 360 NE ARG A 25 -11.810 4.938 8.844 1.00 0.00 N ATOM 361 CZ ARG A 25 -12.562 5.714 9.627 1.00 0.00 C ATOM 362 NH1 ARG A 25 -12.035 6.780 10.228 1.00 0.00 N ATOM 363 NH2 ARG A 25 -13.850 5.436 9.780 1.00 0.00 N ATOM 0 H ARG A 25 -8.459 5.975 7.276 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.534 5.598 4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.938 5.466 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.050 4.410 5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.940 7.087 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.134 5.819 6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.959 4.552 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.077 6.126 8.676 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.073 3.956 8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.050 7.008 10.091 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.616 7.368 10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.259 4.634 9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.431 6.024 10.377 1.00 0.00 H new ATOM 377 N THR A 26 -9.511 7.629 3.351 1.00 0.00 N ATOM 378 CA THR A 26 -9.778 8.835 2.575 1.00 0.00 C ATOM 379 C THR A 26 -10.861 8.529 1.530 1.00 0.00 C ATOM 380 O THR A 26 -11.426 7.427 1.517 1.00 0.00 O ATOM 381 CB THR A 26 -8.480 9.403 1.941 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.170 8.832 0.689 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.223 9.284 2.809 1.00 0.00 C ATOM 0 H THR A 26 -9.529 6.785 2.778 1.00 0.00 H new ATOM 0 HA THR A 26 -10.151 9.618 3.236 1.00 0.00 H new ATOM 0 HB THR A 26 -8.733 10.458 1.832 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.075 7.862 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.372 9.709 2.277 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.374 9.825 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.028 8.234 3.025 1.00 0.00 H new ATOM 391 N GLU A 27 -11.160 9.472 0.633 1.00 0.00 N ATOM 392 CA GLU A 27 -11.975 9.207 -0.543 1.00 0.00 C ATOM 393 C GLU A 27 -11.298 8.200 -1.475 1.00 0.00 C ATOM 394 O GLU A 27 -11.975 7.407 -2.129 1.00 0.00 O ATOM 395 CB GLU A 27 -12.207 10.512 -1.316 1.00 0.00 C ATOM 396 CG GLU A 27 -13.404 10.417 -2.274 1.00 0.00 C ATOM 397 CD GLU A 27 -14.712 10.191 -1.512 1.00 0.00 C ATOM 398 OE1 GLU A 27 -15.079 11.055 -0.682 1.00 0.00 O ATOM 399 OE2 GLU A 27 -15.337 9.119 -1.679 1.00 0.00 O ATOM 0 H GLU A 27 -10.842 10.438 0.706 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.923 8.790 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.373 11.325 -0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.310 10.760 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.476 11.333 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.245 9.600 -2.978 1.00 0.00 H new ATOM 406 N LEU A 28 -9.970 8.223 -1.558 1.00 0.00 N ATOM 407 CA LEU A 28 -9.203 7.475 -2.552 1.00 0.00 C ATOM 408 C LEU A 28 -8.695 6.156 -2.012 1.00 0.00 C ATOM 409 O LEU A 28 -8.043 5.410 -2.744 1.00 0.00 O ATOM 410 CB LEU A 28 -8.072 8.350 -3.114 1.00 0.00 C ATOM 411 CG LEU A 28 -8.557 9.695 -3.688 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.356 10.496 -4.174 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.544 9.541 -4.851 1.00 0.00 C ATOM 0 H LEU A 28 -9.386 8.771 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.872 7.219 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.347 8.543 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.552 7.798 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.082 10.207 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.695 11.449 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.678 10.678 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.834 9.935 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.844 10.527 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.067 8.992 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.424 8.994 -4.512 1.00 0.00 H new ATOM 425 N GLY A 29 -9.038 5.848 -0.773 1.00 0.00 N ATOM 426 CA GLY A 29 -8.711 4.609 -0.120 1.00 0.00 C ATOM 427 C GLY A 29 -8.024 4.905 1.192 1.00 0.00 C ATOM 428 O GLY A 29 -7.977 6.054 1.621 1.00 0.00 O ATOM 0 H GLY A 29 -9.571 6.483 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.615 4.026 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.061 4.009 -0.757 1.00 0.00 H new ATOM 432 N VAL A 30 -7.529 3.887 1.879 1.00 0.00 N ATOM 433 CA VAL A 30 -6.730 4.137 3.071 1.00 0.00 C ATOM 434 C VAL A 30 -5.288 4.397 2.650 1.00 0.00 C ATOM 435 O VAL A 30 -4.750 3.677 1.807 1.00 0.00 O ATOM 436 CB VAL A 30 -6.983 3.040 4.115 1.00 0.00 C ATOM 437 CG1 VAL A 30 -6.851 1.646 3.531 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.095 3.147 5.349 1.00 0.00 C ATOM 0 H VAL A 30 -7.661 2.904 1.641 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.025 5.045 3.597 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.013 3.206 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.039 0.906 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.575 1.519 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.844 1.510 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.333 2.338 6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.049 3.075 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.267 4.105 5.839 1.00 0.00 H new ATOM 448 N GLU A 31 -4.703 5.472 3.189 1.00 0.00 N ATOM 449 CA GLU A 31 -3.290 5.793 3.078 1.00 0.00 C ATOM 450 C GLU A 31 -2.512 4.589 3.588 1.00 0.00 C ATOM 451 O GLU A 31 -2.668 4.198 4.748 1.00 0.00 O ATOM 452 CB GLU A 31 -2.912 7.007 3.944 1.00 0.00 C ATOM 453 CG GLU A 31 -3.397 8.370 3.432 1.00 0.00 C ATOM 454 CD GLU A 31 -2.886 9.523 4.327 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.761 9.446 4.869 1.00 0.00 O ATOM 456 OE2 GLU A 31 -3.633 10.514 4.522 1.00 0.00 O ATOM 0 H GLU A 31 -5.224 6.161 3.731 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.061 6.031 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.312 6.853 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.826 7.040 4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.051 8.520 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.487 8.384 3.405 1.00 0.00 H new ATOM 463 N PHE A 32 -1.683 4.018 2.715 1.00 0.00 N ATOM 464 CA PHE A 32 -0.887 2.854 3.003 1.00 0.00 C ATOM 465 C PHE A 32 0.509 3.230 3.428 1.00 0.00 C ATOM 466 O PHE A 32 0.780 3.758 4.504 1.00 0.00 O ATOM 467 CB PHE A 32 -1.078 1.758 1.929 1.00 0.00 C ATOM 468 CG PHE A 32 -0.667 0.348 2.351 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.098 0.058 3.612 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.841 -0.707 1.438 1.00 0.00 C ATOM 471 CE1 PHE A 32 0.410 -1.217 3.885 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.327 -1.990 1.717 1.00 0.00 C ATOM 473 CZ PHE A 32 0.361 -2.225 2.917 1.00 0.00 C ATOM 0 H PHE A 32 -1.552 4.371 1.767 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.251 2.345 3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.128 1.740 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.505 2.036 1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.055 0.826 4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.373 -0.533 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.844 -1.424 4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.463 -2.792 1.007 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.847 -3.174 3.091 1.00 0.00 H new ATOM 483 N LEU A 33 1.385 2.870 2.546 1.00 0.00 N ATOM 484 CA LEU A 33 2.805 3.139 2.594 1.00 0.00 C ATOM 485 C LEU A 33 2.988 4.563 2.111 1.00 0.00 C ATOM 486 O LEU A 33 2.774 4.855 0.935 1.00 0.00 O ATOM 487 CB LEU A 33 3.664 2.159 1.776 1.00 0.00 C ATOM 488 CG LEU A 33 3.698 0.681 2.190 1.00 0.00 C ATOM 489 CD1 LEU A 33 3.490 0.470 3.673 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.730 -0.141 1.344 1.00 0.00 C ATOM 0 H LEU A 33 1.120 2.344 1.713 1.00 0.00 H new ATOM 0 HA LEU A 33 3.156 3.003 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.322 2.204 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.689 2.529 1.789 1.00 0.00 H new ATOM 0 HG LEU A 33 4.707 0.320 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.526 -0.596 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.275 0.984 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.519 0.870 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.771 -1.185 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.717 0.238 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.010 -0.064 0.293 1.00 0.00 H new ATOM 502 N LYS A 34 3.432 5.434 2.999 1.00 0.00 N ATOM 503 CA LYS A 34 3.959 6.743 2.673 1.00 0.00 C ATOM 504 C LYS A 34 5.477 6.694 2.707 1.00 0.00 C ATOM 505 O LYS A 34 6.036 5.941 3.501 1.00 0.00 O ATOM 506 CB LYS A 34 3.424 7.746 3.692 1.00 0.00 C ATOM 507 CG LYS A 34 1.981 8.138 3.346 1.00 0.00 C ATOM 508 CD LYS A 34 1.577 9.556 3.766 1.00 0.00 C ATOM 509 CE LYS A 34 2.461 10.634 3.124 1.00 0.00 C ATOM 510 NZ LYS A 34 3.421 11.235 4.076 1.00 0.00 N ATOM 0 H LYS A 34 3.435 5.241 4.001 1.00 0.00 H new ATOM 0 HA LYS A 34 3.648 7.048 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.461 7.314 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.056 8.634 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.842 8.041 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.304 7.428 3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.537 9.731 3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.636 9.641 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.010 10.197 2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.827 11.419 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.238 11.612 3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.957 12.006 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.744 10.510 4.747 1.00 0.00 H new ATOM 524 N ARG A 35 6.165 7.467 1.871 1.00 0.00 N ATOM 525 CA ARG A 35 7.622 7.561 1.896 1.00 0.00 C ATOM 526 C ARG A 35 8.052 8.834 1.206 1.00 0.00 C ATOM 527 O ARG A 35 7.917 8.937 -0.011 1.00 0.00 O ATOM 528 CB ARG A 35 8.259 6.365 1.185 1.00 0.00 C ATOM 529 CG ARG A 35 9.788 6.368 1.305 1.00 0.00 C ATOM 530 CD ARG A 35 10.432 5.348 0.361 1.00 0.00 C ATOM 531 NE ARG A 35 10.248 5.670 -1.060 1.00 0.00 N ATOM 532 CZ ARG A 35 10.956 6.575 -1.741 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.812 7.395 -1.139 1.00 0.00 N ATOM 534 NH2 ARG A 35 10.803 6.668 -3.053 1.00 0.00 N ATOM 0 H ARG A 35 5.727 8.047 1.156 1.00 0.00 H new ATOM 0 HA ARG A 35 7.951 7.564 2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.865 5.441 1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.979 6.379 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.169 7.364 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.073 6.143 2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.499 5.287 0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.010 4.363 0.560 1.00 0.00 H new ATOM 0 HE ARG A 35 9.523 5.163 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.943 7.344 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.338 8.075 -1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.149 6.052 -3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.339 7.356 -3.581 1.00 0.00 H new ATOM 548 N GLY A 36 8.641 9.766 1.942 1.00 0.00 N ATOM 549 CA GLY A 36 9.187 10.977 1.366 1.00 0.00 C ATOM 550 C GLY A 36 8.063 11.840 0.832 1.00 0.00 C ATOM 551 O GLY A 36 7.418 12.537 1.612 1.00 0.00 O ATOM 0 H GLY A 36 8.751 9.700 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.754 11.526 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.881 10.729 0.563 1.00 0.00 H new ATOM 555 N ASP A 37 7.767 11.734 -0.457 1.00 0.00 N ATOM 556 CA ASP A 37 6.658 12.420 -1.120 1.00 0.00 C ATOM 557 C ASP A 37 5.722 11.422 -1.818 1.00 0.00 C ATOM 558 O ASP A 37 4.895 11.814 -2.634 1.00 0.00 O ATOM 559 CB ASP A 37 7.227 13.464 -2.077 1.00 0.00 C ATOM 560 CG ASP A 37 6.240 14.559 -2.497 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.470 15.057 -1.636 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.372 15.051 -3.640 1.00 0.00 O ATOM 0 H ASP A 37 8.309 11.149 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 37 6.043 12.932 -0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.091 13.934 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.588 12.957 -2.972 1.00 0.00 H new ATOM 567 N LYS A 38 5.880 10.117 -1.555 1.00 0.00 N ATOM 568 CA LYS A 38 5.149 9.040 -2.219 1.00 0.00 C ATOM 569 C LYS A 38 4.032 8.537 -1.313 1.00 0.00 C ATOM 570 O LYS A 38 4.249 8.423 -0.106 1.00 0.00 O ATOM 571 CB LYS A 38 6.124 7.896 -2.558 1.00 0.00 C ATOM 572 CG LYS A 38 7.301 8.305 -3.459 1.00 0.00 C ATOM 573 CD LYS A 38 6.903 8.943 -4.800 1.00 0.00 C ATOM 574 CE LYS A 38 6.043 8.002 -5.649 1.00 0.00 C ATOM 575 NZ LYS A 38 5.903 8.489 -7.035 1.00 0.00 N ATOM 0 H LYS A 38 6.539 9.777 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 38 4.704 9.413 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.520 7.486 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.569 7.096 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.930 9.007 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.909 7.423 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.355 9.866 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.802 9.212 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.490 7.008 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.056 7.904 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.314 7.826 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.453 9.427 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.843 8.558 -7.475 1.00 0.00 H new ATOM 589 N ILE A 39 2.877 8.170 -1.880 1.00 0.00 N ATOM 590 CA ILE A 39 1.724 7.646 -1.134 1.00 0.00 C ATOM 591 C ILE A 39 1.107 6.485 -1.903 1.00 0.00 C ATOM 592 O ILE A 39 0.503 6.670 -2.962 1.00 0.00 O ATOM 593 CB ILE A 39 0.645 8.713 -0.839 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.299 9.982 -0.264 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.413 8.111 0.116 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.303 11.043 0.187 1.00 0.00 C ATOM 0 H ILE A 39 2.713 8.229 -2.885 1.00 0.00 H new ATOM 0 HA ILE A 39 2.099 7.311 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 39 0.140 9.006 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.926 9.703 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.957 10.413 -1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.178 8.858 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.875 7.242 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.067 7.808 1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.842 11.905 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.308 11.352 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.339 10.632 0.966 1.00 0.00 H new ATOM 608 N VAL A 40 1.243 5.282 -1.355 1.00 0.00 N ATOM 609 CA VAL A 40 0.443 4.144 -1.758 1.00 0.00 C ATOM 610 C VAL A 40 -0.870 4.205 -0.975 1.00 0.00 C ATOM 611 O VAL A 40 -0.898 4.665 0.164 1.00 0.00 O ATOM 612 CB VAL A 40 1.198 2.820 -1.517 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.505 1.666 -2.256 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.644 2.851 -2.025 1.00 0.00 C ATOM 0 H VAL A 40 1.915 5.074 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 40 0.236 4.181 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 40 1.195 2.679 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.050 0.739 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.517 1.563 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.490 1.876 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.120 1.891 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.649 3.043 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.193 3.641 -1.513 1.00 0.00 H new ATOM 624 N TYR A 41 -1.939 3.680 -1.555 1.00 0.00 N ATOM 625 CA TYR A 41 -3.267 3.488 -1.006 1.00 0.00 C ATOM 626 C TYR A 41 -3.632 2.014 -1.162 1.00 0.00 C ATOM 627 O TYR A 41 -2.993 1.303 -1.944 1.00 0.00 O ATOM 628 CB TYR A 41 -4.247 4.356 -1.803 1.00 0.00 C ATOM 629 CG TYR A 41 -4.082 5.843 -1.571 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.133 6.559 -2.328 1.00 0.00 C ATOM 631 CD2 TYR A 41 -4.868 6.513 -0.610 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.007 7.948 -2.172 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.712 7.899 -0.422 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.803 8.630 -1.224 1.00 0.00 C ATOM 635 OH TYR A 41 -3.695 9.985 -1.093 1.00 0.00 O ATOM 0 H TYR A 41 -1.889 3.346 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.306 3.769 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.119 4.148 -2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.266 4.069 -1.542 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.500 6.037 -3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.587 5.964 -0.020 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.301 8.497 -2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.288 8.407 0.337 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.312 10.297 -0.399 1.00 0.00 H new ATOM 645 N HIS A 42 -4.675 1.552 -0.470 1.00 0.00 N ATOM 646 CA HIS A 42 -5.274 0.247 -0.743 1.00 0.00 C ATOM 647 C HIS A 42 -6.793 0.284 -0.586 1.00 0.00 C ATOM 648 O HIS A 42 -7.352 1.190 0.053 1.00 0.00 O ATOM 649 CB HIS A 42 -4.595 -0.841 0.096 1.00 0.00 C ATOM 650 CG HIS A 42 -4.967 -0.907 1.551 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.128 -1.423 2.078 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.165 -0.549 2.595 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.024 -1.372 3.418 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.843 -0.848 3.776 1.00 0.00 N ATOM 0 H HIS A 42 -5.124 2.067 0.288 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.097 -0.011 -1.787 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.819 -1.807 -0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.516 -0.699 0.027 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.924 -1.780 1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.180 -0.112 2.520 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.785 -1.706 4.108 1.00 0.00 H new ATOM 662 N THR A 43 -7.468 -0.701 -1.179 1.00 0.00 N ATOM 663 CA THR A 43 -8.911 -0.844 -1.059 1.00 0.00 C ATOM 664 C THR A 43 -9.231 -1.508 0.282 1.00 0.00 C ATOM 665 O THR A 43 -8.476 -2.352 0.781 1.00 0.00 O ATOM 666 CB THR A 43 -9.490 -1.577 -2.282 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.863 -2.815 -2.486 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.249 -0.736 -3.539 1.00 0.00 C ATOM 0 H THR A 43 -7.027 -1.419 -1.754 1.00 0.00 H new ATOM 0 HA THR A 43 -9.399 0.131 -1.058 1.00 0.00 H new ATOM 0 HB THR A 43 -10.553 -1.732 -2.096 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.453 -3.535 -2.178 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.658 -1.253 -4.407 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.739 0.232 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.178 -0.587 -3.677 1.00 0.00 H new ATOM 676 N LEU A 44 -10.327 -1.097 0.917 1.00 0.00 N ATOM 677 CA LEU A 44 -10.750 -1.670 2.195 1.00 0.00 C ATOM 678 C LEU A 44 -11.339 -3.075 2.066 1.00 0.00 C ATOM 679 O LEU A 44 -11.462 -3.758 3.079 1.00 0.00 O ATOM 680 CB LEU A 44 -11.775 -0.759 2.883 1.00 0.00 C ATOM 681 CG LEU A 44 -11.237 0.629 3.273 1.00 0.00 C ATOM 682 CD1 LEU A 44 -12.308 1.399 4.054 1.00 0.00 C ATOM 683 CD2 LEU A 44 -9.973 0.567 4.127 1.00 0.00 C ATOM 0 H LEU A 44 -10.943 -0.364 0.565 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.845 -1.749 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.630 -0.630 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.141 -1.258 3.780 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.985 1.133 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.923 2.381 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.196 1.518 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.568 0.846 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.646 1.579 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.183 0.025 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.186 0.053 3.575 1.00 0.00 H new ATOM 695 N GLU A 45 -11.688 -3.526 0.865 1.00 0.00 N ATOM 696 CA GLU A 45 -12.364 -4.800 0.628 1.00 0.00 C ATOM 697 C GLU A 45 -11.586 -5.619 -0.402 1.00 0.00 C ATOM 698 O GLU A 45 -10.768 -5.070 -1.147 1.00 0.00 O ATOM 699 CB GLU A 45 -13.801 -4.526 0.158 1.00 0.00 C ATOM 700 CG GLU A 45 -14.678 -3.993 1.301 1.00 0.00 C ATOM 701 CD GLU A 45 -15.992 -3.411 0.790 1.00 0.00 C ATOM 702 OE1 GLU A 45 -16.020 -2.190 0.491 1.00 0.00 O ATOM 703 OE2 GLU A 45 -16.997 -4.158 0.718 1.00 0.00 O ATOM 0 H GLU A 45 -11.505 -3.004 0.008 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.405 -5.380 1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.786 -3.803 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.236 -5.444 -0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.888 -4.800 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.131 -3.226 1.850 1.00 0.00 H new ATOM 710 N SER A 46 -11.839 -6.930 -0.422 1.00 0.00 N ATOM 711 CA SER A 46 -11.116 -7.881 -1.250 1.00 0.00 C ATOM 712 C SER A 46 -11.536 -7.781 -2.723 1.00 0.00 C ATOM 713 O SER A 46 -12.711 -7.500 -2.995 1.00 0.00 O ATOM 714 CB SER A 46 -11.361 -9.305 -0.722 1.00 0.00 C ATOM 715 OG SER A 46 -12.728 -9.691 -0.792 1.00 0.00 O ATOM 0 H SER A 46 -12.566 -7.361 0.149 1.00 0.00 H new ATOM 0 HA SER A 46 -10.053 -7.645 -1.197 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.759 -10.009 -1.297 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.023 -9.367 0.312 1.00 0.00 H new ATOM 0 HG SER A 46 -12.829 -10.603 -0.447 1.00 0.00 H new ATOM 721 N PRO A 47 -10.669 -8.202 -3.661 1.00 0.00 N ATOM 722 CA PRO A 47 -9.228 -8.326 -3.480 1.00 0.00 C ATOM 723 C PRO A 47 -8.649 -6.930 -3.298 1.00 0.00 C ATOM 724 O PRO A 47 -9.131 -5.962 -3.887 1.00 0.00 O ATOM 725 CB PRO A 47 -8.712 -8.988 -4.754 1.00 0.00 C ATOM 726 CG PRO A 47 -9.677 -8.469 -5.814 1.00 0.00 C ATOM 727 CD PRO A 47 -11.004 -8.339 -5.066 1.00 0.00 C ATOM 0 HA PRO A 47 -8.947 -8.916 -2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.682 -8.704 -4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.734 -10.075 -4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.350 -7.511 -6.218 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.757 -9.159 -6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.565 -7.473 -5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.631 -9.215 -5.232 1.00 0.00 H new ATOM 735 N VAL A 48 -7.641 -6.840 -2.439 1.00 0.00 N ATOM 736 CA VAL A 48 -7.064 -5.558 -2.114 1.00 0.00 C ATOM 737 C VAL A 48 -6.189 -5.131 -3.285 1.00 0.00 C ATOM 738 O VAL A 48 -5.172 -5.753 -3.605 1.00 0.00 O ATOM 739 CB VAL A 48 -6.398 -5.584 -0.741 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.666 -4.273 -0.472 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.462 -5.783 0.343 1.00 0.00 C ATOM 0 H VAL A 48 -7.215 -7.635 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.822 -4.783 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.682 -6.405 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.198 -4.313 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.900 -4.122 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.376 -3.447 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.984 -5.801 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.179 -4.963 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.981 -6.727 0.175 1.00 0.00 H new ATOM 751 N GLU A 49 -6.646 -4.082 -3.949 1.00 0.00 N ATOM 752 CA GLU A 49 -5.881 -3.349 -4.925 1.00 0.00 C ATOM 753 C GLU A 49 -4.957 -2.409 -4.158 1.00 0.00 C ATOM 754 O GLU A 49 -5.264 -2.005 -3.030 1.00 0.00 O ATOM 755 CB GLU A 49 -6.818 -2.559 -5.853 1.00 0.00 C ATOM 756 CG GLU A 49 -7.892 -3.445 -6.496 1.00 0.00 C ATOM 757 CD GLU A 49 -8.776 -2.668 -7.471 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.313 -2.302 -8.583 1.00 0.00 O ATOM 759 OE2 GLU A 49 -9.979 -2.484 -7.184 1.00 0.00 O ATOM 0 H GLU A 49 -7.587 -3.712 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.300 -4.025 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.300 -1.763 -5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.230 -2.080 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.412 -4.270 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.514 -3.883 -5.715 1.00 0.00 H new ATOM 766 N PHE A 50 -3.851 -2.027 -4.785 1.00 0.00 N ATOM 767 CA PHE A 50 -2.874 -1.096 -4.244 1.00 0.00 C ATOM 768 C PHE A 50 -2.634 -0.041 -5.296 1.00 0.00 C ATOM 769 O PHE A 50 -2.415 -0.402 -6.451 1.00 0.00 O ATOM 770 CB PHE A 50 -1.561 -1.815 -3.955 1.00 0.00 C ATOM 771 CG PHE A 50 -1.715 -3.004 -3.041 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.996 -2.816 -1.677 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.561 -4.302 -3.555 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.136 -3.929 -0.828 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.658 -5.410 -2.705 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.948 -5.225 -1.345 1.00 0.00 C ATOM 0 H PHE A 50 -3.603 -2.369 -5.714 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.242 -0.660 -3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.122 -2.145 -4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.861 -1.110 -3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.104 -1.817 -1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.367 -4.445 -4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.386 -3.790 0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.510 -6.406 -3.096 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.027 -6.081 -0.691 1.00 0.00 H new ATOM 786 N HIS A 51 -2.665 1.239 -4.939 1.00 0.00 N ATOM 787 CA HIS A 51 -2.481 2.311 -5.907 1.00 0.00 C ATOM 788 C HIS A 51 -1.430 3.253 -5.359 1.00 0.00 C ATOM 789 O HIS A 51 -1.534 3.676 -4.219 1.00 0.00 O ATOM 790 CB HIS A 51 -3.760 3.089 -6.182 1.00 0.00 C ATOM 791 CG HIS A 51 -5.080 2.416 -5.951 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.177 2.959 -5.320 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.398 1.159 -6.343 1.00 0.00 C ATOM 794 CE1 HIS A 51 -7.145 2.024 -5.330 1.00 0.00 C ATOM 795 NE2 HIS A 51 -6.722 0.926 -5.976 1.00 0.00 N ATOM 0 H HIS A 51 -2.817 1.558 -3.982 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.176 1.866 -6.854 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.737 3.989 -5.568 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.732 3.412 -7.223 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.243 3.895 -4.920 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.744 0.464 -6.848 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.121 2.140 -4.883 1.00 0.00 H new ATOM 803 N LEU A 52 -0.448 3.611 -6.162 1.00 0.00 N ATOM 804 CA LEU A 52 0.597 4.570 -5.819 1.00 0.00 C ATOM 805 C LEU A 52 0.408 5.778 -6.698 1.00 0.00 C ATOM 806 O LEU A 52 0.555 5.671 -7.917 1.00 0.00 O ATOM 807 CB LEU A 52 1.995 3.965 -5.976 1.00 0.00 C ATOM 808 CG LEU A 52 3.158 4.963 -5.823 1.00 0.00 C ATOM 809 CD1 LEU A 52 3.146 5.786 -4.536 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.480 4.196 -5.895 1.00 0.00 C ATOM 0 H LEU A 52 -0.347 3.233 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 52 0.516 4.855 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.117 3.173 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.064 3.498 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 52 3.040 5.678 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.005 6.457 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.228 6.371 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.197 5.118 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.311 4.893 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.518 3.460 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.554 3.688 -6.857 1.00 0.00 H new ATOM 822 N ASP A 53 0.050 6.898 -6.074 1.00 0.00 N ATOM 823 CA ASP A 53 -0.146 8.230 -6.643 1.00 0.00 C ATOM 824 C ASP A 53 -1.455 8.327 -7.420 1.00 0.00 C ATOM 825 O ASP A 53 -2.155 9.340 -7.368 1.00 0.00 O ATOM 826 CB ASP A 53 1.049 8.613 -7.527 1.00 0.00 C ATOM 827 CG ASP A 53 1.040 10.103 -7.871 1.00 0.00 C ATOM 828 OD1 ASP A 53 0.871 10.942 -6.951 1.00 0.00 O ATOM 829 OD2 ASP A 53 1.214 10.435 -9.065 1.00 0.00 O ATOM 0 H ASP A 53 -0.126 6.897 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.211 8.939 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.977 8.363 -7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.025 8.027 -8.446 1.00 0.00 H new ATOM 834 N GLY A 54 -1.821 7.230 -8.071 1.00 0.00 N ATOM 835 CA GLY A 54 -2.976 7.046 -8.916 1.00 0.00 C ATOM 836 C GLY A 54 -2.775 5.850 -9.848 1.00 0.00 C ATOM 837 O GLY A 54 -3.750 5.317 -10.383 1.00 0.00 O ATOM 0 H GLY A 54 -1.264 6.378 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.862 6.890 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.151 7.947 -9.504 1.00 0.00 H new ATOM 841 N GLU A 55 -1.539 5.374 -10.010 1.00 0.00 N ATOM 842 CA GLU A 55 -1.196 4.166 -10.741 1.00 0.00 C ATOM 843 C GLU A 55 -1.490 3.015 -9.811 1.00 0.00 C ATOM 844 O GLU A 55 -0.847 2.869 -8.782 1.00 0.00 O ATOM 845 CB GLU A 55 0.298 4.163 -11.095 1.00 0.00 C ATOM 846 CG GLU A 55 0.494 4.865 -12.441 1.00 0.00 C ATOM 847 CD GLU A 55 1.876 5.505 -12.569 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.823 4.817 -13.012 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.018 6.717 -12.276 1.00 0.00 O ATOM 0 H GLU A 55 -0.722 5.842 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.762 4.097 -11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.870 4.672 -10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.670 3.140 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.354 4.145 -13.247 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.271 5.632 -12.563 1.00 0.00 H new ATOM 856 N VAL A 56 -2.498 2.229 -10.143 1.00 0.00 N ATOM 857 CA VAL A 56 -2.768 0.960 -9.514 1.00 0.00 C ATOM 858 C VAL A 56 -1.883 -0.149 -10.035 1.00 0.00 C ATOM 859 O VAL A 56 -1.557 -0.223 -11.225 1.00 0.00 O ATOM 860 CB VAL A 56 -4.272 0.700 -9.436 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.052 1.047 -10.681 1.00 0.00 C ATOM 862 CG2 VAL A 56 -4.553 -0.759 -9.054 1.00 0.00 C ATOM 0 H VAL A 56 -3.165 2.467 -10.877 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.465 0.994 -8.468 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.623 1.381 -8.661 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.107 0.826 -10.523 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.933 2.108 -10.901 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.680 0.458 -11.519 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.630 -0.921 -9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.120 -1.421 -9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.109 -0.973 -8.082 1.00 0.00 H new ATOM 872 N LEU A 57 -1.415 -0.928 -9.066 1.00 0.00 N ATOM 873 CA LEU A 57 -0.334 -1.889 -9.255 1.00 0.00 C ATOM 874 C LEU A 57 -0.850 -3.332 -9.211 1.00 0.00 C ATOM 875 O LEU A 57 -2.055 -3.571 -9.253 1.00 0.00 O ATOM 876 CB LEU A 57 0.760 -1.627 -8.212 1.00 0.00 C ATOM 877 CG LEU A 57 1.199 -0.162 -8.037 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.440 0.658 -9.312 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.430 0.589 -6.973 1.00 0.00 C ATOM 0 H LEU A 57 -1.781 -0.910 -8.114 1.00 0.00 H new ATOM 0 HA LEU A 57 0.097 -1.757 -10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.409 -1.996 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.636 -2.217 -8.480 1.00 0.00 H new ATOM 0 HG LEU A 57 2.212 -0.288 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.744 1.669 -9.042 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.226 0.189 -9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.521 0.699 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.799 1.613 -6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.629 0.600 -7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.565 0.096 -6.010 1.00 0.00 H new ATOM 891 N SER A 58 0.062 -4.300 -9.107 1.00 0.00 N ATOM 892 CA SER A 58 -0.193 -5.655 -8.652 1.00 0.00 C ATOM 893 C SER A 58 0.624 -5.892 -7.381 1.00 0.00 C ATOM 894 O SER A 58 1.563 -5.146 -7.112 1.00 0.00 O ATOM 895 CB SER A 58 0.228 -6.627 -9.752 1.00 0.00 C ATOM 896 OG SER A 58 -0.675 -6.577 -10.834 1.00 0.00 O ATOM 0 H SER A 58 1.041 -4.147 -9.350 1.00 0.00 H new ATOM 0 HA SER A 58 -1.250 -5.807 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.232 -6.380 -10.098 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.269 -7.640 -9.353 1.00 0.00 H new ATOM 0 HG SER A 58 -0.388 -7.205 -11.529 1.00 0.00 H new ATOM 902 N LEU A 59 0.337 -6.962 -6.636 1.00 0.00 N ATOM 903 CA LEU A 59 0.958 -7.269 -5.340 1.00 0.00 C ATOM 904 C LEU A 59 2.444 -7.582 -5.516 1.00 0.00 C ATOM 905 O LEU A 59 3.271 -7.269 -4.665 1.00 0.00 O ATOM 906 CB LEU A 59 0.206 -8.466 -4.718 1.00 0.00 C ATOM 907 CG LEU A 59 0.859 -9.077 -3.463 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.979 -8.088 -2.300 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.036 -10.284 -3.002 1.00 0.00 C ATOM 0 H LEU A 59 -0.351 -7.658 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 59 0.888 -6.408 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.804 -8.145 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.111 -9.246 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 59 1.871 -9.369 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.447 -8.582 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.589 -7.238 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.014 -7.738 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.495 -10.719 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.979 -9.964 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.006 -11.029 -3.797 1.00 0.00 H new ATOM 921 N ASP A 60 2.767 -8.213 -6.640 1.00 0.00 N ATOM 922 CA ASP A 60 4.122 -8.472 -7.099 1.00 0.00 C ATOM 923 C ASP A 60 4.818 -7.157 -7.418 1.00 0.00 C ATOM 924 O ASP A 60 5.848 -6.843 -6.821 1.00 0.00 O ATOM 925 CB ASP A 60 4.040 -9.377 -8.342 1.00 0.00 C ATOM 926 CG ASP A 60 4.487 -10.822 -8.079 1.00 0.00 C ATOM 927 OD1 ASP A 60 5.425 -11.048 -7.285 1.00 0.00 O ATOM 928 OD2 ASP A 60 3.883 -11.765 -8.649 1.00 0.00 O ATOM 0 H ASP A 60 2.060 -8.572 -7.281 1.00 0.00 H new ATOM 0 HA ASP A 60 4.704 -8.973 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.014 -9.384 -8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.659 -8.952 -9.132 1.00 0.00 H new ATOM 933 N LYS A 61 4.242 -6.372 -8.334 1.00 0.00 N ATOM 934 CA LYS A 61 4.820 -5.119 -8.813 1.00 0.00 C ATOM 935 C LYS A 61 5.097 -4.184 -7.652 1.00 0.00 C ATOM 936 O LYS A 61 6.182 -3.628 -7.552 1.00 0.00 O ATOM 937 CB LYS A 61 3.869 -4.450 -9.822 1.00 0.00 C ATOM 938 CG LYS A 61 4.682 -3.794 -10.931 1.00 0.00 C ATOM 939 CD LYS A 61 3.798 -3.116 -11.984 1.00 0.00 C ATOM 940 CE LYS A 61 4.614 -2.956 -13.270 1.00 0.00 C ATOM 941 NZ LYS A 61 3.852 -2.289 -14.345 1.00 0.00 N ATOM 0 H LYS A 61 3.347 -6.596 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 61 5.764 -5.339 -9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.190 -5.191 -10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.254 -3.704 -9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.355 -3.055 -10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.305 -4.547 -11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.906 -3.714 -12.173 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.460 -2.144 -11.626 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.514 -2.380 -13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.939 -3.938 -13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.449 -2.205 -15.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.006 -2.851 -14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.564 -1.341 -14.029 1.00 0.00 H new ATOM 955 N LEU A 62 4.123 -4.059 -6.757 1.00 0.00 N ATOM 956 CA LEU A 62 4.157 -3.246 -5.562 1.00 0.00 C ATOM 957 C LEU A 62 5.473 -3.418 -4.830 1.00 0.00 C ATOM 958 O LEU A 62 6.172 -2.440 -4.612 1.00 0.00 O ATOM 959 CB LEU A 62 2.976 -3.658 -4.689 1.00 0.00 C ATOM 960 CG LEU A 62 2.923 -2.978 -3.324 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.900 -1.447 -3.442 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.639 -3.504 -2.700 1.00 0.00 C ATOM 0 H LEU A 62 3.238 -4.556 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 62 4.078 -2.189 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.052 -3.439 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.011 -4.737 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 62 3.805 -3.198 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.862 -1.006 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.800 -1.108 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.021 -1.139 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.512 -3.069 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.791 -3.231 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.693 -4.589 -2.616 1.00 0.00 H new ATOM 974 N LYS A 63 5.839 -4.650 -4.480 1.00 0.00 N ATOM 975 CA LYS A 63 7.067 -4.922 -3.747 1.00 0.00 C ATOM 976 C LYS A 63 8.277 -4.357 -4.507 1.00 0.00 C ATOM 977 O LYS A 63 9.060 -3.611 -3.921 1.00 0.00 O ATOM 978 CB LYS A 63 7.163 -6.430 -3.450 1.00 0.00 C ATOM 979 CG LYS A 63 5.990 -6.897 -2.560 1.00 0.00 C ATOM 980 CD LYS A 63 5.784 -8.416 -2.575 1.00 0.00 C ATOM 981 CE LYS A 63 4.433 -8.749 -1.928 1.00 0.00 C ATOM 982 NZ LYS A 63 4.261 -10.198 -1.691 1.00 0.00 N ATOM 0 H LYS A 63 5.292 -5.483 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 63 7.059 -4.414 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.159 -6.989 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.109 -6.647 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.169 -6.572 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.074 -6.410 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.812 -8.789 -3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.591 -8.910 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.346 -8.216 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.628 -8.391 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.334 -10.370 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.316 -10.707 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.012 -10.538 -1.057 1.00 0.00 H new ATOM 996 N SER A 64 8.364 -4.597 -5.822 1.00 0.00 N ATOM 997 CA SER A 64 9.404 -4.010 -6.676 1.00 0.00 C ATOM 998 C SER A 64 9.393 -2.472 -6.631 1.00 0.00 C ATOM 999 O SER A 64 10.463 -1.854 -6.658 1.00 0.00 O ATOM 1000 CB SER A 64 9.263 -4.473 -8.137 1.00 0.00 C ATOM 1001 OG SER A 64 9.735 -5.791 -8.369 1.00 0.00 O ATOM 0 H SER A 64 7.715 -5.204 -6.323 1.00 0.00 H new ATOM 0 HA SER A 64 10.355 -4.362 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.214 -4.417 -8.426 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.809 -3.783 -8.781 1.00 0.00 H new ATOM 0 HG SER A 64 9.614 -6.020 -9.314 1.00 0.00 H new ATOM 1007 N LEU A 65 8.218 -1.833 -6.587 1.00 0.00 N ATOM 1008 CA LEU A 65 8.091 -0.375 -6.535 1.00 0.00 C ATOM 1009 C LEU A 65 8.451 0.186 -5.163 1.00 0.00 C ATOM 1010 O LEU A 65 8.837 1.351 -5.074 1.00 0.00 O ATOM 1011 CB LEU A 65 6.663 0.103 -6.844 1.00 0.00 C ATOM 1012 CG LEU A 65 6.050 -0.297 -8.196 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.838 0.599 -8.441 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.028 -0.188 -9.368 1.00 0.00 C ATOM 0 H LEU A 65 7.322 -2.320 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 65 8.785 -0.012 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.008 -0.268 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.653 1.191 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 65 5.770 -1.349 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.380 0.339 -9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.113 0.457 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.155 1.642 -8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.527 -0.486 -10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.373 0.842 -9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.882 -0.842 -9.192 1.00 0.00 H new ATOM 1026 N LEU A 66 8.284 -0.601 -4.098 1.00 0.00 N ATOM 1027 CA LEU A 66 8.601 -0.156 -2.743 1.00 0.00 C ATOM 1028 C LEU A 66 10.093 -0.320 -2.465 1.00 0.00 C ATOM 1029 O LEU A 66 10.624 0.334 -1.566 1.00 0.00 O ATOM 1030 CB LEU A 66 7.800 -0.960 -1.716 1.00 0.00 C ATOM 1031 CG LEU A 66 6.278 -0.744 -1.783 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.572 -1.778 -0.919 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.837 0.624 -1.284 1.00 0.00 C ATOM 0 H LEU A 66 7.929 -1.556 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 66 8.334 0.898 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.010 -2.020 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.148 -0.698 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 66 6.014 -0.833 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.495 -1.620 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.810 -2.778 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.905 -1.677 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.753 0.707 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.138 0.746 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.304 1.400 -1.890 1.00 0.00 H new ATOM 1045 N SER A 67 10.757 -1.208 -3.203 1.00 0.00 N ATOM 1046 CA SER A 67 12.198 -1.369 -3.226 1.00 0.00 C ATOM 1047 C SER A 67 12.840 -0.182 -3.964 1.00 0.00 C ATOM 1048 O SER A 67 14.079 -0.222 -4.144 1.00 0.00 O ATOM 1049 CB SER A 67 12.469 -2.741 -3.867 1.00 0.00 C ATOM 1050 OG SER A 67 13.779 -3.215 -3.609 1.00 0.00 O ATOM 0 H SER A 67 10.279 -1.860 -3.825 1.00 0.00 H new ATOM 0 HA SER A 67 12.649 -1.359 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.745 -3.463 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.318 -2.671 -4.944 1.00 0.00 H new ATOM 0 HG SER A 67 14.414 -2.471 -3.672 1.00 0.00 H new