USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 519 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 87:sc= 1.13 USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0.234 USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0427 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.667 K(o=-0.67,f=-0.064) USER MOD Single : A 9 THR OG1 : rot -75:sc= 0.832 USER MOD Single : A 15 SER OG : rot -6:sc= 0.145 USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -140:sc= -0.0137 USER MOD Single : A 24 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.53) USER MOD Single : A 26 THR OG1 : rot -27:sc= 1.41 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= -0.506 K(o=-0.51,f=-4.8!) USER MOD Single : A 43 THR OG1 : rot 160:sc= 0.379 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -3.06! K(o=-3.1!,f=-0.67) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00919 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.364 -13.985 -0.786 1.00 0.00 N ATOM 2 CA GLY A 1 -5.389 -13.093 -1.415 1.00 0.00 C ATOM 3 C GLY A 1 -4.064 -13.114 -0.673 1.00 0.00 C ATOM 4 O GLY A 1 -3.990 -13.375 0.528 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.257 -13.473 -0.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.534 -14.805 -1.403 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.995 -14.312 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.233 -13.394 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.782 -12.076 -1.434 1.00 0.00 H new ATOM 8 N SER A 2 -3.002 -12.778 -1.395 1.00 0.00 N ATOM 9 CA SER A 2 -1.742 -12.300 -0.851 1.00 0.00 C ATOM 10 C SER A 2 -1.900 -10.842 -0.381 1.00 0.00 C ATOM 11 O SER A 2 -1.096 -10.353 0.409 1.00 0.00 O ATOM 12 CB SER A 2 -0.706 -12.405 -1.987 1.00 0.00 C ATOM 13 OG SER A 2 0.588 -12.784 -1.543 1.00 0.00 O ATOM 0 H SER A 2 -2.997 -12.834 -2.413 1.00 0.00 H new ATOM 0 HA SER A 2 -1.424 -12.887 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.056 -13.131 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.639 -11.444 -2.496 1.00 0.00 H new ATOM 0 HG SER A 2 1.196 -12.834 -2.310 1.00 0.00 H new ATOM 19 N GLU A 3 -2.907 -10.131 -0.893 1.00 0.00 N ATOM 20 CA GLU A 3 -3.026 -8.680 -0.811 1.00 0.00 C ATOM 21 C GLU A 3 -3.459 -8.232 0.586 1.00 0.00 C ATOM 22 O GLU A 3 -2.800 -7.377 1.171 1.00 0.00 O ATOM 23 CB GLU A 3 -3.964 -8.098 -1.892 1.00 0.00 C ATOM 24 CG GLU A 3 -3.985 -8.815 -3.251 1.00 0.00 C ATOM 25 CD GLU A 3 -4.751 -10.137 -3.185 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.947 -10.155 -2.822 1.00 0.00 O ATOM 27 OE2 GLU A 3 -4.076 -11.183 -3.304 1.00 0.00 O ATOM 0 H GLU A 3 -3.684 -10.566 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.031 -8.279 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.979 -8.094 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.684 -7.058 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.444 -8.166 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.962 -9.004 -3.578 1.00 0.00 H new ATOM 34 N GLU A 4 -4.521 -8.817 1.148 1.00 0.00 N ATOM 35 CA GLU A 4 -4.980 -8.456 2.498 1.00 0.00 C ATOM 36 C GLU A 4 -3.887 -8.811 3.502 1.00 0.00 C ATOM 37 O GLU A 4 -3.616 -8.075 4.444 1.00 0.00 O ATOM 38 CB GLU A 4 -6.262 -9.208 2.883 1.00 0.00 C ATOM 39 CG GLU A 4 -7.418 -8.996 1.897 1.00 0.00 C ATOM 40 CD GLU A 4 -8.641 -9.843 2.279 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.540 -11.099 2.232 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.720 -9.280 2.570 1.00 0.00 O ATOM 0 H GLU A 4 -5.079 -9.540 0.693 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.193 -7.387 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.042 -10.274 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.578 -8.886 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.695 -7.942 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.092 -9.257 0.890 1.00 0.00 H new ATOM 49 N HIS A 5 -3.198 -9.926 3.256 1.00 0.00 N ATOM 50 CA HIS A 5 -2.084 -10.345 4.080 1.00 0.00 C ATOM 51 C HIS A 5 -0.936 -9.336 3.959 1.00 0.00 C ATOM 52 O HIS A 5 -0.210 -9.106 4.927 1.00 0.00 O ATOM 53 CB HIS A 5 -1.701 -11.765 3.658 1.00 0.00 C ATOM 54 CG HIS A 5 -0.493 -12.352 4.355 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.221 -13.431 3.898 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.117 -11.930 5.511 1.00 0.00 C ATOM 57 CE1 HIS A 5 1.246 -13.635 4.734 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.235 -12.738 5.731 1.00 0.00 N ATOM 0 H HIS A 5 -3.402 -10.556 2.481 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.347 -10.367 5.138 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.554 -12.420 3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.515 -11.768 2.584 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.211 -11.116 6.140 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.983 -14.417 4.621 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.907 -12.661 6.495 1.00 0.00 H new ATOM 66 N PHE A 6 -0.755 -8.687 2.812 1.00 0.00 N ATOM 67 CA PHE A 6 0.292 -7.696 2.680 1.00 0.00 C ATOM 68 C PHE A 6 -0.022 -6.437 3.485 1.00 0.00 C ATOM 69 O PHE A 6 0.858 -5.906 4.165 1.00 0.00 O ATOM 70 CB PHE A 6 0.516 -7.348 1.220 1.00 0.00 C ATOM 71 CG PHE A 6 1.703 -6.437 1.051 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.988 -6.935 1.300 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.524 -5.086 0.720 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.111 -6.110 1.137 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.646 -4.250 0.572 1.00 0.00 C ATOM 76 CZ PHE A 6 3.939 -4.771 0.750 1.00 0.00 C ATOM 0 H PHE A 6 -1.316 -8.832 1.973 1.00 0.00 H new ATOM 0 HA PHE A 6 1.208 -8.129 3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.671 -8.261 0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.375 -6.866 0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.115 -7.959 1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.529 -4.689 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.102 -6.503 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.514 -3.208 0.322 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.801 -4.141 0.589 1.00 0.00 H new ATOM 86 N VAL A 7 -1.277 -5.980 3.424 1.00 0.00 N ATOM 87 CA VAL A 7 -1.783 -4.909 4.278 1.00 0.00 C ATOM 88 C VAL A 7 -1.497 -5.272 5.726 1.00 0.00 C ATOM 89 O VAL A 7 -0.912 -4.469 6.452 1.00 0.00 O ATOM 90 CB VAL A 7 -3.284 -4.671 4.019 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.911 -3.694 5.023 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.462 -4.142 2.594 1.00 0.00 C ATOM 0 H VAL A 7 -1.972 -6.348 2.775 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.279 -3.970 4.049 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.800 -5.623 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.968 -3.564 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.806 -4.092 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.405 -2.731 4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.521 -3.970 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.916 -3.205 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.077 -4.873 1.884 1.00 0.00 H new ATOM 102 N GLU A 8 -1.855 -6.500 6.100 1.00 0.00 N ATOM 103 CA GLU A 8 -1.697 -7.020 7.444 1.00 0.00 C ATOM 104 C GLU A 8 -0.234 -6.878 7.847 1.00 0.00 C ATOM 105 O GLU A 8 0.072 -6.171 8.799 1.00 0.00 O ATOM 106 CB GLU A 8 -2.193 -8.474 7.518 1.00 0.00 C ATOM 107 CG GLU A 8 -2.425 -8.968 8.948 1.00 0.00 C ATOM 108 CD GLU A 8 -3.693 -8.360 9.536 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.789 -8.901 9.280 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.614 -7.304 10.201 1.00 0.00 O ATOM 0 H GLU A 8 -2.272 -7.172 5.456 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.304 -6.453 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.123 -8.561 6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.465 -9.123 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.502 -10.055 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.569 -8.706 9.570 1.00 0.00 H new ATOM 117 N THR A 9 0.686 -7.479 7.092 1.00 0.00 N ATOM 118 CA THR A 9 2.074 -7.612 7.490 1.00 0.00 C ATOM 119 C THR A 9 2.726 -6.250 7.705 1.00 0.00 C ATOM 120 O THR A 9 3.469 -6.067 8.676 1.00 0.00 O ATOM 121 CB THR A 9 2.877 -8.394 6.443 1.00 0.00 C ATOM 122 OG1 THR A 9 2.341 -8.387 5.139 1.00 0.00 O ATOM 123 CG2 THR A 9 3.103 -9.855 6.821 1.00 0.00 C ATOM 0 H THR A 9 0.480 -7.888 6.181 1.00 0.00 H new ATOM 0 HA THR A 9 2.081 -8.160 8.432 1.00 0.00 H new ATOM 0 HB THR A 9 3.817 -7.843 6.436 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.568 -8.988 5.100 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.677 -10.349 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.653 -9.907 7.761 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.141 -10.354 6.935 1.00 0.00 H new ATOM 131 N VAL A 10 2.488 -5.309 6.791 1.00 0.00 N ATOM 132 CA VAL A 10 3.041 -3.978 6.934 1.00 0.00 C ATOM 133 C VAL A 10 2.414 -3.330 8.171 1.00 0.00 C ATOM 134 O VAL A 10 3.150 -2.750 8.965 1.00 0.00 O ATOM 135 CB VAL A 10 2.840 -3.156 5.652 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.256 -1.713 5.877 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.621 -3.635 4.428 1.00 0.00 C ATOM 0 H VAL A 10 1.921 -5.449 5.955 1.00 0.00 H new ATOM 0 HA VAL A 10 4.120 -4.024 7.081 1.00 0.00 H new ATOM 0 HB VAL A 10 1.777 -3.274 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.107 -1.144 4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.652 -1.280 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.308 -1.677 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.405 -2.984 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.689 -3.607 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.326 -4.656 4.185 1.00 0.00 H new ATOM 147 N SER A 11 1.098 -3.440 8.373 1.00 0.00 N ATOM 148 CA SER A 11 0.423 -2.867 9.530 1.00 0.00 C ATOM 149 C SER A 11 1.025 -3.372 10.835 1.00 0.00 C ATOM 150 O SER A 11 1.095 -2.614 11.804 1.00 0.00 O ATOM 151 CB SER A 11 -1.067 -3.192 9.438 1.00 0.00 C ATOM 152 OG SER A 11 -1.904 -2.385 10.248 1.00 0.00 O ATOM 0 H SER A 11 0.473 -3.931 7.734 1.00 0.00 H new ATOM 0 HA SER A 11 0.558 -1.785 9.527 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.383 -3.090 8.400 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.214 -4.236 9.715 1.00 0.00 H new ATOM 0 HG SER A 11 -2.148 -1.572 9.758 1.00 0.00 H new ATOM 158 N LEU A 12 1.485 -4.625 10.867 1.00 0.00 N ATOM 159 CA LEU A 12 2.110 -5.167 12.057 1.00 0.00 C ATOM 160 C LEU A 12 3.429 -4.448 12.312 1.00 0.00 C ATOM 161 O LEU A 12 3.696 -4.037 13.440 1.00 0.00 O ATOM 162 CB LEU A 12 2.359 -6.683 11.951 1.00 0.00 C ATOM 163 CG LEU A 12 1.089 -7.504 11.688 1.00 0.00 C ATOM 164 CD1 LEU A 12 1.448 -8.961 11.382 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.118 -7.470 12.865 1.00 0.00 C ATOM 0 H LEU A 12 1.433 -5.274 10.082 1.00 0.00 H new ATOM 0 HA LEU A 12 1.424 -5.007 12.889 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.073 -6.869 11.149 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.820 -7.031 12.875 1.00 0.00 H new ATOM 0 HG LEU A 12 0.597 -7.048 10.829 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.536 -9.529 11.198 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.085 -9.001 10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.978 -9.391 12.232 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.763 -8.066 12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.605 -7.879 13.750 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.182 -6.440 13.059 1.00 0.00 H new ATOM 177 N ALA A 13 4.281 -4.325 11.291 1.00 0.00 N ATOM 178 CA ALA A 13 5.574 -3.660 11.417 1.00 0.00 C ATOM 179 C ALA A 13 5.434 -2.152 11.630 1.00 0.00 C ATOM 180 O ALA A 13 6.320 -1.537 12.221 1.00 0.00 O ATOM 181 CB ALA A 13 6.426 -3.961 10.182 1.00 0.00 C ATOM 0 H ALA A 13 4.091 -4.684 10.356 1.00 0.00 H new ATOM 0 HA ALA A 13 6.069 -4.053 12.305 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.392 -3.464 10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.578 -5.037 10.098 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.916 -3.596 9.290 1.00 0.00 H new ATOM 187 N GLY A 14 4.346 -1.552 11.151 1.00 0.00 N ATOM 188 CA GLY A 14 4.137 -0.120 11.119 1.00 0.00 C ATOM 189 C GLY A 14 5.039 0.560 10.100 1.00 0.00 C ATOM 190 O GLY A 14 5.009 1.784 10.031 1.00 0.00 O ATOM 0 H GLY A 14 3.562 -2.076 10.762 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.095 0.090 10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.327 0.297 12.108 1.00 0.00 H new ATOM 194 N SER A 15 5.821 -0.171 9.295 1.00 0.00 N ATOM 195 CA SER A 15 6.491 0.304 8.090 1.00 0.00 C ATOM 196 C SER A 15 6.997 -0.911 7.254 1.00 0.00 C ATOM 197 O SER A 15 6.736 -2.055 7.624 1.00 0.00 O ATOM 198 CB SER A 15 7.622 1.290 8.448 1.00 0.00 C ATOM 199 OG SER A 15 7.268 2.451 9.177 1.00 0.00 O ATOM 0 H SER A 15 6.009 -1.156 9.480 1.00 0.00 H new ATOM 0 HA SER A 15 5.783 0.855 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.373 0.747 9.023 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.099 1.607 7.520 1.00 0.00 H new ATOM 0 HG SER A 15 6.293 2.499 9.262 1.00 0.00 H new ATOM 205 N TYR A 16 7.657 -0.684 6.109 1.00 0.00 N ATOM 206 CA TYR A 16 8.120 -1.619 5.087 1.00 0.00 C ATOM 207 C TYR A 16 9.305 -0.988 4.342 1.00 0.00 C ATOM 208 O TYR A 16 9.170 0.116 3.807 1.00 0.00 O ATOM 209 CB TYR A 16 7.000 -1.915 4.077 1.00 0.00 C ATOM 210 CG TYR A 16 7.303 -3.062 3.123 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.129 -4.389 3.558 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.754 -2.818 1.809 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.383 -5.464 2.691 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.007 -3.889 0.926 1.00 0.00 C ATOM 215 CZ TYR A 16 7.829 -5.218 1.374 1.00 0.00 C ATOM 216 OH TYR A 16 8.095 -6.257 0.542 1.00 0.00 O ATOM 0 H TYR A 16 7.905 0.272 5.853 1.00 0.00 H new ATOM 0 HA TYR A 16 8.417 -2.551 5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.085 -2.145 4.624 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.805 -1.015 3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.797 -4.582 4.567 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.907 -1.802 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.237 -6.479 3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.334 -3.695 -0.085 1.00 0.00 H new ATOM 0 HH TYR A 16 7.521 -7.017 0.773 1.00 0.00 H new ATOM 226 N ARG A 17 10.426 -1.710 4.226 1.00 0.00 N ATOM 227 CA ARG A 17 11.692 -1.302 3.596 1.00 0.00 C ATOM 228 C ARG A 17 12.223 0.023 4.145 1.00 0.00 C ATOM 229 O ARG A 17 13.048 0.006 5.057 1.00 0.00 O ATOM 230 CB ARG A 17 11.601 -1.298 2.058 1.00 0.00 C ATOM 231 CG ARG A 17 11.284 -2.670 1.438 1.00 0.00 C ATOM 232 CD ARG A 17 12.298 -3.086 0.373 1.00 0.00 C ATOM 233 NE ARG A 17 13.588 -3.469 0.963 1.00 0.00 N ATOM 234 CZ ARG A 17 14.512 -4.254 0.405 1.00 0.00 C ATOM 235 NH1 ARG A 17 14.384 -4.676 -0.848 1.00 0.00 N ATOM 236 NH2 ARG A 17 15.569 -4.617 1.116 1.00 0.00 N ATOM 0 H ARG A 17 10.478 -2.660 4.594 1.00 0.00 H new ATOM 0 HA ARG A 17 12.426 -2.061 3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.832 -0.588 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.546 -0.938 1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.261 -3.423 2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.289 -2.642 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.899 -3.922 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.449 -2.263 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 17 13.798 -3.099 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.571 -4.400 -1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.099 -5.276 -1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.670 -4.297 2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.282 -5.217 0.700 1.00 0.00 H new ATOM 250 N ASP A 18 11.770 1.146 3.591 1.00 0.00 N ATOM 251 CA ASP A 18 12.196 2.505 3.925 1.00 0.00 C ATOM 252 C ASP A 18 11.012 3.485 3.919 1.00 0.00 C ATOM 253 O ASP A 18 11.179 4.689 4.120 1.00 0.00 O ATOM 254 CB ASP A 18 13.311 2.951 2.951 1.00 0.00 C ATOM 255 CG ASP A 18 14.651 3.297 3.612 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.764 3.367 4.853 1.00 0.00 O ATOM 257 OD2 ASP A 18 15.642 3.432 2.850 1.00 0.00 O ATOM 0 H ASP A 18 11.059 1.133 2.859 1.00 0.00 H new ATOM 0 HA ASP A 18 12.596 2.508 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.477 2.156 2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.961 3.822 2.397 1.00 0.00 H new ATOM 262 N TRP A 19 9.801 2.995 3.653 1.00 0.00 N ATOM 263 CA TRP A 19 8.559 3.752 3.714 1.00 0.00 C ATOM 264 C TRP A 19 8.139 3.858 5.182 1.00 0.00 C ATOM 265 O TRP A 19 8.759 3.268 6.062 1.00 0.00 O ATOM 266 CB TRP A 19 7.496 3.036 2.848 1.00 0.00 C ATOM 267 CG TRP A 19 7.796 2.918 1.396 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.836 2.254 0.848 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.082 3.533 0.290 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.849 2.477 -0.512 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.806 3.284 -0.901 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.932 4.335 0.181 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.395 3.797 -2.131 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.508 4.860 -1.046 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.234 4.580 -2.216 1.00 0.00 C ATOM 0 H TRP A 19 9.657 2.023 3.379 1.00 0.00 H new ATOM 0 HA TRP A 19 8.679 4.761 3.319 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.348 2.033 3.249 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.551 3.567 2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.545 1.645 1.389 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.545 2.092 -1.150 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.359 4.553 1.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.972 3.591 -3.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.624 5.479 -1.093 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.902 4.963 -3.170 1.00 0.00 H new ATOM 286 N SER A 20 6.976 4.439 5.452 1.00 0.00 N ATOM 287 CA SER A 20 6.264 4.441 6.720 1.00 0.00 C ATOM 288 C SER A 20 4.866 3.872 6.448 1.00 0.00 C ATOM 289 O SER A 20 4.363 4.118 5.353 1.00 0.00 O ATOM 290 CB SER A 20 6.150 5.918 7.105 1.00 0.00 C ATOM 291 OG SER A 20 7.318 6.370 7.771 1.00 0.00 O ATOM 0 H SER A 20 6.470 4.959 4.735 1.00 0.00 H new ATOM 0 HA SER A 20 6.751 3.860 7.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.985 6.517 6.210 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.283 6.062 7.750 1.00 0.00 H new ATOM 0 HG SER A 20 7.217 7.317 8.003 1.00 0.00 H new ATOM 297 N TYR A 21 4.263 3.066 7.331 1.00 0.00 N ATOM 298 CA TYR A 21 2.817 2.799 7.274 1.00 0.00 C ATOM 299 C TYR A 21 2.108 4.090 7.711 1.00 0.00 C ATOM 300 O TYR A 21 2.729 4.961 8.329 1.00 0.00 O ATOM 301 CB TYR A 21 2.495 1.584 8.172 1.00 0.00 C ATOM 302 CG TYR A 21 1.051 1.097 8.253 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.531 0.162 7.330 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.227 1.530 9.309 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.796 -0.288 7.424 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.106 1.095 9.404 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.628 0.196 8.451 1.00 0.00 C ATOM 308 OH TYR A 21 -2.926 -0.198 8.500 1.00 0.00 O ATOM 0 H TYR A 21 4.749 2.589 8.090 1.00 0.00 H new ATOM 0 HA TYR A 21 2.471 2.539 6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.107 0.749 7.831 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.820 1.825 9.184 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.164 -0.213 6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.623 2.204 10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.177 -1.003 6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.732 1.450 10.209 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.367 0.222 9.268 1.00 0.00 H new ATOM 318 N SER A 22 0.831 4.232 7.377 1.00 0.00 N ATOM 319 CA SER A 22 -0.031 5.337 7.742 1.00 0.00 C ATOM 320 C SER A 22 -1.270 4.728 8.397 1.00 0.00 C ATOM 321 O SER A 22 -1.181 4.232 9.515 1.00 0.00 O ATOM 322 CB SER A 22 -0.281 6.256 6.539 1.00 0.00 C ATOM 323 OG SER A 22 0.921 6.831 6.063 1.00 0.00 O ATOM 0 H SER A 22 0.346 3.535 6.811 1.00 0.00 H new ATOM 0 HA SER A 22 0.422 6.011 8.469 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.755 5.688 5.739 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.976 7.047 6.823 1.00 0.00 H new ATOM 0 HG SER A 22 0.761 7.766 5.816 1.00 0.00 H new ATOM 329 N GLY A 23 -2.436 4.800 7.754 1.00 0.00 N ATOM 330 CA GLY A 23 -3.687 4.304 8.321 1.00 0.00 C ATOM 331 C GLY A 23 -4.711 5.420 8.394 1.00 0.00 C ATOM 332 O GLY A 23 -5.414 5.581 9.394 1.00 0.00 O ATOM 0 H GLY A 23 -2.538 5.205 6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.072 3.487 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.508 3.900 9.317 1.00 0.00 H new ATOM 336 N GLN A 24 -4.783 6.226 7.336 1.00 0.00 N ATOM 337 CA GLN A 24 -5.701 7.339 7.248 1.00 0.00 C ATOM 338 C GLN A 24 -6.642 7.068 6.096 1.00 0.00 C ATOM 339 O GLN A 24 -6.230 7.043 4.938 1.00 0.00 O ATOM 340 CB GLN A 24 -4.923 8.655 7.123 1.00 0.00 C ATOM 341 CG GLN A 24 -5.856 9.868 7.153 1.00 0.00 C ATOM 342 CD GLN A 24 -6.839 9.805 8.323 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.442 9.778 9.489 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.125 9.646 8.055 1.00 0.00 N ATOM 0 H GLN A 24 -4.194 6.115 6.510 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.301 7.444 8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.202 8.730 7.937 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.355 8.655 6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.263 10.780 7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.410 9.922 6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.451 9.669 7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.790 9.501 8.815 1.00 0.00 H new ATOM 353 N ARG A 25 -7.885 6.732 6.426 1.00 0.00 N ATOM 354 CA ARG A 25 -8.896 6.434 5.426 1.00 0.00 C ATOM 355 C ARG A 25 -9.297 7.751 4.780 1.00 0.00 C ATOM 356 O ARG A 25 -9.271 8.791 5.443 1.00 0.00 O ATOM 357 CB ARG A 25 -10.098 5.700 6.024 1.00 0.00 C ATOM 358 CG ARG A 25 -9.753 4.589 7.031 1.00 0.00 C ATOM 359 CD ARG A 25 -9.870 3.162 6.499 1.00 0.00 C ATOM 360 NE ARG A 25 -10.566 2.255 7.421 1.00 0.00 N ATOM 361 CZ ARG A 25 -10.014 1.330 8.218 1.00 0.00 C ATOM 362 NH1 ARG A 25 -8.711 1.301 8.466 1.00 0.00 N ATOM 363 NH2 ARG A 25 -10.771 0.396 8.770 1.00 0.00 N ATOM 0 H ARG A 25 -8.215 6.660 7.388 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.491 5.756 4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.740 6.429 6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.678 5.264 5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.733 4.745 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.408 4.691 7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.400 3.179 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.872 2.772 6.301 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.582 2.338 7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.096 1.997 8.045 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.324 0.582 9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.775 0.380 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.351 -0.308 9.377 1.00 0.00 H new ATOM 377 N THR A 26 -9.634 7.705 3.499 1.00 0.00 N ATOM 378 CA THR A 26 -10.010 8.874 2.727 1.00 0.00 C ATOM 379 C THR A 26 -11.062 8.480 1.686 1.00 0.00 C ATOM 380 O THR A 26 -11.289 7.292 1.421 1.00 0.00 O ATOM 381 CB THR A 26 -8.767 9.510 2.051 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.306 8.735 0.961 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.551 9.750 2.952 1.00 0.00 C ATOM 0 H THR A 26 -9.653 6.839 2.961 1.00 0.00 H new ATOM 0 HA THR A 26 -10.438 9.622 3.395 1.00 0.00 H new ATOM 0 HB THR A 26 -9.153 10.482 1.744 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.557 7.797 1.097 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.747 10.197 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.827 10.423 3.764 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.213 8.801 3.367 1.00 0.00 H new ATOM 391 N GLU A 27 -11.591 9.494 1.003 1.00 0.00 N ATOM 392 CA GLU A 27 -12.400 9.438 -0.208 1.00 0.00 C ATOM 393 C GLU A 27 -11.827 8.505 -1.284 1.00 0.00 C ATOM 394 O GLU A 27 -12.569 7.971 -2.110 1.00 0.00 O ATOM 395 CB GLU A 27 -12.456 10.867 -0.789 1.00 0.00 C ATOM 396 CG GLU A 27 -13.877 11.262 -1.175 1.00 0.00 C ATOM 397 CD GLU A 27 -14.714 11.575 0.068 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.405 12.600 0.729 1.00 0.00 O ATOM 399 OE2 GLU A 27 -15.615 10.766 0.397 1.00 0.00 O ATOM 0 H GLU A 27 -11.451 10.456 1.311 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.380 9.046 0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.068 11.574 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.810 10.930 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.851 12.133 -1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.343 10.453 -1.738 1.00 0.00 H new ATOM 406 N LEU A 28 -10.506 8.329 -1.291 1.00 0.00 N ATOM 407 CA LEU A 28 -9.725 7.696 -2.352 1.00 0.00 C ATOM 408 C LEU A 28 -9.249 6.297 -2.011 1.00 0.00 C ATOM 409 O LEU A 28 -8.614 5.660 -2.854 1.00 0.00 O ATOM 410 CB LEU A 28 -8.550 8.617 -2.731 1.00 0.00 C ATOM 411 CG LEU A 28 -8.941 10.058 -3.127 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.694 10.835 -3.558 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.994 10.118 -4.243 1.00 0.00 C ATOM 0 H LEU A 28 -9.922 8.641 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.385 7.564 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.860 8.664 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.008 8.164 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.390 10.512 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.976 11.850 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.983 10.869 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.234 10.339 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.223 11.159 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.607 9.627 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.901 9.611 -3.915 1.00 0.00 H new ATOM 425 N GLY A 29 -9.569 5.813 -0.813 1.00 0.00 N ATOM 426 CA GLY A 29 -8.968 4.617 -0.262 1.00 0.00 C ATOM 427 C GLY A 29 -8.307 4.969 1.066 1.00 0.00 C ATOM 428 O GLY A 29 -8.352 6.126 1.490 1.00 0.00 O ATOM 0 H GLY A 29 -10.258 6.248 -0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.725 3.847 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.231 4.211 -0.955 1.00 0.00 H new ATOM 432 N VAL A 30 -7.695 4.008 1.752 1.00 0.00 N ATOM 433 CA VAL A 30 -6.868 4.325 2.922 1.00 0.00 C ATOM 434 C VAL A 30 -5.412 4.496 2.493 1.00 0.00 C ATOM 435 O VAL A 30 -4.921 3.759 1.638 1.00 0.00 O ATOM 436 CB VAL A 30 -7.099 3.310 4.045 1.00 0.00 C ATOM 437 CG1 VAL A 30 -6.964 1.869 3.598 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.212 3.508 5.276 1.00 0.00 C ATOM 0 H VAL A 30 -7.752 3.015 1.526 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.166 5.281 3.352 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.133 3.511 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.141 1.207 4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.694 1.661 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.959 1.701 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.445 2.745 6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.164 3.425 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.394 4.495 5.701 1.00 0.00 H new ATOM 448 N GLU A 31 -4.739 5.488 3.079 1.00 0.00 N ATOM 449 CA GLU A 31 -3.311 5.713 2.944 1.00 0.00 C ATOM 450 C GLU A 31 -2.557 4.514 3.502 1.00 0.00 C ATOM 451 O GLU A 31 -2.769 4.110 4.654 1.00 0.00 O ATOM 452 CB GLU A 31 -2.880 6.971 3.706 1.00 0.00 C ATOM 453 CG GLU A 31 -3.246 8.249 2.947 1.00 0.00 C ATOM 454 CD GLU A 31 -2.540 9.461 3.550 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.312 9.601 3.404 1.00 0.00 O ATOM 456 OE2 GLU A 31 -3.184 10.263 4.269 1.00 0.00 O ATOM 0 H GLU A 31 -5.194 6.176 3.679 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.082 5.848 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.355 6.982 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.803 6.943 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.968 8.146 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.325 8.399 2.978 1.00 0.00 H new ATOM 463 N PHE A 32 -1.668 3.978 2.673 1.00 0.00 N ATOM 464 CA PHE A 32 -0.842 2.825 2.936 1.00 0.00 C ATOM 465 C PHE A 32 0.542 3.250 3.360 1.00 0.00 C ATOM 466 O PHE A 32 0.775 3.859 4.399 1.00 0.00 O ATOM 467 CB PHE A 32 -1.018 1.786 1.805 1.00 0.00 C ATOM 468 CG PHE A 32 -0.647 0.338 2.107 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.523 -0.172 3.423 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.422 -0.527 1.020 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.125 -1.502 3.635 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.016 -1.854 1.236 1.00 0.00 C ATOM 473 CZ PHE A 32 0.152 -2.339 2.544 1.00 0.00 C ATOM 0 H PHE A 32 -1.501 4.367 1.745 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.161 2.259 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.062 1.806 1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.422 2.114 0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.736 0.466 4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.563 -0.167 0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.032 -1.882 4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.168 -2.504 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.493 -3.351 2.708 1.00 0.00 H new ATOM 483 N LEU A 33 1.443 2.922 2.485 1.00 0.00 N ATOM 484 CA LEU A 33 2.857 3.206 2.602 1.00 0.00 C ATOM 485 C LEU A 33 3.092 4.625 2.114 1.00 0.00 C ATOM 486 O LEU A 33 2.826 4.931 0.952 1.00 0.00 O ATOM 487 CB LEU A 33 3.775 2.177 1.902 1.00 0.00 C ATOM 488 CG LEU A 33 3.894 0.778 2.556 1.00 0.00 C ATOM 489 CD1 LEU A 33 3.893 0.901 4.069 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.806 -0.154 2.055 1.00 0.00 C ATOM 0 H LEU A 33 1.210 2.425 1.625 1.00 0.00 H new ATOM 0 HA LEU A 33 3.138 3.117 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.417 2.044 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.775 2.606 1.836 1.00 0.00 H new ATOM 0 HG LEU A 33 4.846 0.335 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.977 -0.090 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.737 1.514 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.964 1.368 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.914 -1.129 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.829 0.263 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.892 -0.266 0.974 1.00 0.00 H new ATOM 502 N LYS A 34 3.668 5.466 2.970 1.00 0.00 N ATOM 503 CA LYS A 34 4.181 6.780 2.615 1.00 0.00 C ATOM 504 C LYS A 34 5.700 6.752 2.598 1.00 0.00 C ATOM 505 O LYS A 34 6.291 6.271 3.562 1.00 0.00 O ATOM 506 CB LYS A 34 3.718 7.816 3.642 1.00 0.00 C ATOM 507 CG LYS A 34 2.334 8.382 3.331 1.00 0.00 C ATOM 508 CD LYS A 34 2.151 9.830 3.808 1.00 0.00 C ATOM 509 CE LYS A 34 2.964 10.820 2.954 1.00 0.00 C ATOM 510 NZ LYS A 34 2.408 12.185 3.027 1.00 0.00 N ATOM 0 H LYS A 34 3.793 5.242 3.957 1.00 0.00 H new ATOM 0 HA LYS A 34 3.805 7.047 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.704 7.359 4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.439 8.632 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.163 8.336 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.578 7.753 3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.095 10.096 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.459 9.911 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.999 10.830 3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.972 10.485 1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.980 12.825 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.428 12.180 2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.423 12.514 4.014 1.00 0.00 H new ATOM 524 N ARG A 35 6.361 7.298 1.578 1.00 0.00 N ATOM 525 CA ARG A 35 7.813 7.485 1.585 1.00 0.00 C ATOM 526 C ARG A 35 8.101 8.854 1.018 1.00 0.00 C ATOM 527 O ARG A 35 7.966 9.059 -0.189 1.00 0.00 O ATOM 528 CB ARG A 35 8.528 6.377 0.800 1.00 0.00 C ATOM 529 CG ARG A 35 10.053 6.534 0.797 1.00 0.00 C ATOM 530 CD ARG A 35 10.798 5.326 0.198 1.00 0.00 C ATOM 531 NE ARG A 35 11.028 5.391 -1.255 1.00 0.00 N ATOM 532 CZ ARG A 35 11.901 6.170 -1.905 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.535 7.170 -1.295 1.00 0.00 N ATOM 534 NH2 ARG A 35 12.128 5.963 -3.196 1.00 0.00 N ATOM 0 H ARG A 35 5.907 7.623 0.724 1.00 0.00 H new ATOM 0 HA ARG A 35 8.196 7.420 2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.269 5.409 1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.166 6.376 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.316 7.429 0.233 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.395 6.690 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.761 5.228 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.230 4.422 0.420 1.00 0.00 H new ATOM 0 HE ARG A 35 10.457 4.772 -1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.360 7.358 -0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.195 7.748 -1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.639 5.214 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.792 6.553 -3.698 1.00 0.00 H new ATOM 548 N GLY A 36 8.469 9.789 1.886 1.00 0.00 N ATOM 549 CA GLY A 36 8.553 11.179 1.509 1.00 0.00 C ATOM 550 C GLY A 36 7.167 11.611 1.094 1.00 0.00 C ATOM 551 O GLY A 36 6.209 11.578 1.868 1.00 0.00 O ATOM 0 H GLY A 36 8.713 9.600 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.911 11.783 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.260 11.314 0.690 1.00 0.00 H new ATOM 555 N ASP A 37 7.091 11.963 -0.173 1.00 0.00 N ATOM 556 CA ASP A 37 5.914 12.486 -0.828 1.00 0.00 C ATOM 557 C ASP A 37 5.102 11.369 -1.484 1.00 0.00 C ATOM 558 O ASP A 37 3.968 11.617 -1.882 1.00 0.00 O ATOM 559 CB ASP A 37 6.424 13.430 -1.911 1.00 0.00 C ATOM 560 CG ASP A 37 7.187 14.636 -1.376 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.832 15.210 -0.329 1.00 0.00 O ATOM 562 OD2 ASP A 37 8.256 14.942 -1.956 1.00 0.00 O ATOM 0 H ASP A 37 7.889 11.888 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 37 5.265 12.983 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.073 12.873 -2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.577 13.782 -2.500 1.00 0.00 H new ATOM 567 N LYS A 38 5.654 10.157 -1.635 1.00 0.00 N ATOM 568 CA LYS A 38 5.002 9.068 -2.360 1.00 0.00 C ATOM 569 C LYS A 38 3.972 8.463 -1.426 1.00 0.00 C ATOM 570 O LYS A 38 4.295 8.245 -0.256 1.00 0.00 O ATOM 571 CB LYS A 38 6.032 7.996 -2.773 1.00 0.00 C ATOM 572 CG LYS A 38 7.088 8.476 -3.780 1.00 0.00 C ATOM 573 CD LYS A 38 6.533 9.028 -5.101 1.00 0.00 C ATOM 574 CE LYS A 38 5.696 8.021 -5.904 1.00 0.00 C ATOM 575 NZ LYS A 38 5.628 8.366 -7.340 1.00 0.00 N ATOM 0 H LYS A 38 6.567 9.908 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 38 4.534 9.444 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.540 7.636 -1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.500 7.147 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.692 9.251 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.756 7.644 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.920 9.903 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.365 9.365 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.124 7.025 -5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.687 7.982 -5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.053 7.658 -7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.195 9.305 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.588 8.378 -7.740 1.00 0.00 H new ATOM 589 N ILE A 39 2.768 8.178 -1.921 1.00 0.00 N ATOM 590 CA ILE A 39 1.669 7.651 -1.113 1.00 0.00 C ATOM 591 C ILE A 39 1.023 6.499 -1.855 1.00 0.00 C ATOM 592 O ILE A 39 0.330 6.696 -2.855 1.00 0.00 O ATOM 593 CB ILE A 39 0.608 8.709 -0.753 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.277 10.005 -0.284 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.320 8.104 0.321 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.298 11.043 0.247 1.00 0.00 C ATOM 0 H ILE A 39 2.526 8.308 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 39 2.094 7.316 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 39 0.013 8.974 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.000 9.768 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.835 10.437 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.083 8.833 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.799 7.209 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.266 7.842 1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.845 11.932 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.410 11.310 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.242 10.631 1.099 1.00 0.00 H new ATOM 608 N VAL A 40 1.239 5.296 -1.344 1.00 0.00 N ATOM 609 CA VAL A 40 0.480 4.138 -1.760 1.00 0.00 C ATOM 610 C VAL A 40 -0.856 4.189 -1.027 1.00 0.00 C ATOM 611 O VAL A 40 -0.918 4.611 0.126 1.00 0.00 O ATOM 612 CB VAL A 40 1.272 2.839 -1.479 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.587 1.573 -2.010 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.659 2.898 -2.126 1.00 0.00 C ATOM 0 H VAL A 40 1.943 5.101 -0.633 1.00 0.00 H new ATOM 0 HA VAL A 40 0.298 4.144 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 40 1.332 2.778 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.200 0.702 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.391 1.465 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.465 1.651 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.198 1.974 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.553 3.019 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.214 3.743 -1.719 1.00 0.00 H new ATOM 624 N TYR A 41 -1.918 3.718 -1.668 1.00 0.00 N ATOM 625 CA TYR A 41 -3.232 3.465 -1.098 1.00 0.00 C ATOM 626 C TYR A 41 -3.530 1.974 -1.189 1.00 0.00 C ATOM 627 O TYR A 41 -2.937 1.273 -2.011 1.00 0.00 O ATOM 628 CB TYR A 41 -4.286 4.285 -1.856 1.00 0.00 C ATOM 629 CG TYR A 41 -4.224 5.758 -1.517 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.162 6.555 -1.988 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.195 6.309 -0.663 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.073 7.899 -1.584 1.00 0.00 C ATOM 633 CE2 TYR A 41 -5.117 7.650 -0.266 1.00 0.00 C ATOM 634 CZ TYR A 41 -4.052 8.454 -0.725 1.00 0.00 C ATOM 635 OH TYR A 41 -3.984 9.753 -0.328 1.00 0.00 O ATOM 0 H TYR A 41 -1.881 3.489 -2.661 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.256 3.765 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.141 4.155 -2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.279 3.902 -1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.422 6.137 -2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.009 5.693 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.254 8.511 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.868 8.067 0.388 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.742 9.956 0.259 1.00 0.00 H new ATOM 645 N HIS A 42 -4.471 1.495 -0.379 1.00 0.00 N ATOM 646 CA HIS A 42 -5.104 0.193 -0.536 1.00 0.00 C ATOM 647 C HIS A 42 -6.600 0.385 -0.360 1.00 0.00 C ATOM 648 O HIS A 42 -7.064 1.327 0.297 1.00 0.00 O ATOM 649 CB HIS A 42 -4.488 -0.845 0.420 1.00 0.00 C ATOM 650 CG HIS A 42 -4.918 -0.794 1.870 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.146 -1.177 2.357 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.126 -0.507 2.951 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.094 -1.124 3.698 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.884 -0.714 4.111 1.00 0.00 N ATOM 0 H HIS A 42 -4.822 2.017 0.424 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.927 -0.215 -1.531 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.719 -1.838 0.034 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.404 -0.734 0.385 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.954 -1.453 1.798 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.098 -0.179 2.915 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.914 -1.377 4.354 1.00 0.00 H new ATOM 662 N THR A 43 -7.361 -0.510 -0.968 1.00 0.00 N ATOM 663 CA THR A 43 -8.806 -0.516 -0.866 1.00 0.00 C ATOM 664 C THR A 43 -9.208 -1.262 0.411 1.00 0.00 C ATOM 665 O THR A 43 -8.451 -2.063 0.970 1.00 0.00 O ATOM 666 CB THR A 43 -9.379 -1.107 -2.162 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.749 -2.325 -2.450 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.061 -0.176 -3.340 1.00 0.00 C ATOM 0 H THR A 43 -6.987 -1.259 -1.551 1.00 0.00 H new ATOM 0 HA THR A 43 -9.224 0.486 -0.772 1.00 0.00 H new ATOM 0 HB THR A 43 -10.453 -1.235 -2.028 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.308 -2.846 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.469 -0.599 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.507 0.802 -3.161 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.981 -0.070 -3.438 1.00 0.00 H new ATOM 676 N LEU A 44 -10.387 -0.935 0.931 1.00 0.00 N ATOM 677 CA LEU A 44 -10.921 -1.449 2.196 1.00 0.00 C ATOM 678 C LEU A 44 -11.691 -2.767 2.071 1.00 0.00 C ATOM 679 O LEU A 44 -12.290 -3.236 3.036 1.00 0.00 O ATOM 680 CB LEU A 44 -11.898 -0.417 2.754 1.00 0.00 C ATOM 681 CG LEU A 44 -11.326 0.977 3.048 1.00 0.00 C ATOM 682 CD1 LEU A 44 -12.360 1.866 3.747 1.00 0.00 C ATOM 683 CD2 LEU A 44 -10.079 0.902 3.921 1.00 0.00 C ATOM 0 H LEU A 44 -11.022 -0.283 0.470 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.059 -1.633 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.719 -0.307 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.323 -0.813 3.676 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.062 1.411 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.925 2.846 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.235 1.978 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.656 1.407 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.704 1.908 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.327 0.426 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.313 0.318 3.412 1.00 0.00 H new ATOM 695 N GLU A 45 -11.778 -3.294 0.863 1.00 0.00 N ATOM 696 CA GLU A 45 -12.596 -4.447 0.496 1.00 0.00 C ATOM 697 C GLU A 45 -11.786 -5.409 -0.374 1.00 0.00 C ATOM 698 O GLU A 45 -10.693 -5.054 -0.817 1.00 0.00 O ATOM 699 CB GLU A 45 -13.862 -3.976 -0.232 1.00 0.00 C ATOM 700 CG GLU A 45 -14.718 -3.065 0.670 1.00 0.00 C ATOM 701 CD GLU A 45 -16.085 -2.697 0.091 1.00 0.00 C ATOM 702 OE1 GLU A 45 -16.965 -3.583 0.027 1.00 0.00 O ATOM 703 OE2 GLU A 45 -16.302 -1.487 -0.164 1.00 0.00 O ATOM 0 H GLU A 45 -11.258 -2.916 0.071 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.897 -4.979 1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.584 -3.438 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.449 -4.840 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.866 -3.561 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.163 -2.148 0.868 1.00 0.00 H new ATOM 710 N SER A 46 -12.306 -6.618 -0.620 1.00 0.00 N ATOM 711 CA SER A 46 -11.553 -7.688 -1.258 1.00 0.00 C ATOM 712 C SER A 46 -12.036 -7.998 -2.677 1.00 0.00 C ATOM 713 O SER A 46 -13.246 -7.967 -2.920 1.00 0.00 O ATOM 714 CB SER A 46 -11.581 -8.945 -0.396 1.00 0.00 C ATOM 715 OG SER A 46 -12.840 -9.188 0.206 1.00 0.00 O ATOM 0 H SER A 46 -13.263 -6.875 -0.379 1.00 0.00 H new ATOM 0 HA SER A 46 -10.526 -7.336 -1.351 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.309 -9.803 -1.010 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.825 -8.858 0.384 1.00 0.00 H new ATOM 0 HG SER A 46 -12.793 -10.007 0.743 1.00 0.00 H new ATOM 721 N PRO A 47 -11.138 -8.403 -3.594 1.00 0.00 N ATOM 722 CA PRO A 47 -9.692 -8.396 -3.406 1.00 0.00 C ATOM 723 C PRO A 47 -9.202 -6.955 -3.321 1.00 0.00 C ATOM 724 O PRO A 47 -9.745 -6.068 -3.987 1.00 0.00 O ATOM 725 CB PRO A 47 -9.104 -9.118 -4.614 1.00 0.00 C ATOM 726 CG PRO A 47 -10.129 -8.821 -5.703 1.00 0.00 C ATOM 727 CD PRO A 47 -11.457 -8.808 -4.954 1.00 0.00 C ATOM 0 HA PRO A 47 -9.389 -8.893 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.115 -8.739 -4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.999 -10.188 -4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.933 -7.864 -6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.117 -9.582 -6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.160 -8.114 -5.415 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.925 -9.792 -4.970 1.00 0.00 H new ATOM 735 N VAL A 48 -8.214 -6.747 -2.457 1.00 0.00 N ATOM 736 CA VAL A 48 -7.568 -5.465 -2.280 1.00 0.00 C ATOM 737 C VAL A 48 -6.780 -5.193 -3.551 1.00 0.00 C ATOM 738 O VAL A 48 -6.186 -6.089 -4.165 1.00 0.00 O ATOM 739 CB VAL A 48 -6.722 -5.482 -0.998 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.910 -4.198 -0.848 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.610 -5.656 0.239 1.00 0.00 C ATOM 0 H VAL A 48 -7.839 -7.479 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.276 -4.648 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.038 -6.327 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.323 -4.244 0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.241 -4.089 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.585 -3.343 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.989 -5.665 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.319 -4.830 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.155 -6.597 0.166 1.00 0.00 H new ATOM 751 N GLU A 49 -6.770 -3.925 -3.913 1.00 0.00 N ATOM 752 CA GLU A 49 -5.925 -3.335 -4.915 1.00 0.00 C ATOM 753 C GLU A 49 -5.015 -2.360 -4.194 1.00 0.00 C ATOM 754 O GLU A 49 -5.281 -1.957 -3.059 1.00 0.00 O ATOM 755 CB GLU A 49 -6.784 -2.628 -5.946 1.00 0.00 C ATOM 756 CG GLU A 49 -7.588 -3.637 -6.759 1.00 0.00 C ATOM 757 CD GLU A 49 -6.838 -4.188 -7.969 1.00 0.00 C ATOM 758 OE1 GLU A 49 -5.944 -5.045 -7.798 1.00 0.00 O ATOM 759 OE2 GLU A 49 -7.214 -3.844 -9.115 1.00 0.00 O ATOM 0 H GLU A 49 -7.394 -3.242 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.332 -4.083 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.460 -1.933 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.152 -2.038 -6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.874 -4.466 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.510 -3.165 -7.098 1.00 0.00 H new ATOM 766 N PHE A 50 -3.957 -1.962 -4.878 1.00 0.00 N ATOM 767 CA PHE A 50 -2.973 -1.032 -4.358 1.00 0.00 C ATOM 768 C PHE A 50 -2.817 0.050 -5.401 1.00 0.00 C ATOM 769 O PHE A 50 -2.740 -0.283 -6.584 1.00 0.00 O ATOM 770 CB PHE A 50 -1.650 -1.757 -4.104 1.00 0.00 C ATOM 771 CG PHE A 50 -1.762 -2.927 -3.139 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.892 -2.721 -1.753 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.744 -4.239 -3.638 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.962 -3.822 -0.873 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.837 -5.328 -2.758 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.918 -5.136 -1.375 1.00 0.00 C ATOM 0 H PHE A 50 -3.755 -2.282 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.285 -0.602 -3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.258 -2.119 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.926 -1.043 -3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.938 -1.716 -1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.658 -4.410 -4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.050 -3.655 0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.846 -6.332 -3.156 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.946 -5.982 -0.704 1.00 0.00 H new ATOM 786 N HIS A 51 -2.777 1.318 -5.003 1.00 0.00 N ATOM 787 CA HIS A 51 -2.591 2.415 -5.947 1.00 0.00 C ATOM 788 C HIS A 51 -1.422 3.265 -5.485 1.00 0.00 C ATOM 789 O HIS A 51 -1.111 3.272 -4.299 1.00 0.00 O ATOM 790 CB HIS A 51 -3.835 3.273 -6.124 1.00 0.00 C ATOM 791 CG HIS A 51 -5.164 2.628 -5.822 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.190 3.140 -5.060 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.566 1.417 -6.292 1.00 0.00 C ATOM 794 CE1 HIS A 51 -7.191 2.241 -5.065 1.00 0.00 C ATOM 795 NE2 HIS A 51 -6.860 1.178 -5.824 1.00 0.00 N ATOM 0 H HIS A 51 -2.871 1.612 -4.031 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.386 1.979 -6.925 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.733 4.152 -5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.858 3.627 -7.155 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.986 0.755 -6.918 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.126 2.355 -4.536 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.439 0.361 -6.018 1.00 0.00 H new ATOM 803 N LEU A 52 -0.798 4.003 -6.392 1.00 0.00 N ATOM 804 CA LEU A 52 0.287 4.935 -6.112 1.00 0.00 C ATOM 805 C LEU A 52 0.281 5.961 -7.227 1.00 0.00 C ATOM 806 O LEU A 52 0.333 5.586 -8.395 1.00 0.00 O ATOM 807 CB LEU A 52 1.636 4.195 -6.093 1.00 0.00 C ATOM 808 CG LEU A 52 2.871 5.103 -5.960 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.886 5.893 -4.651 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.137 4.247 -6.040 1.00 0.00 C ATOM 0 H LEU A 52 -1.043 3.968 -7.382 1.00 0.00 H new ATOM 0 HA LEU A 52 0.151 5.406 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.633 3.486 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.728 3.613 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 52 2.832 5.824 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.780 6.516 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.000 6.526 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.889 5.201 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.015 4.886 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.133 3.515 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.166 3.729 -6.999 1.00 0.00 H new ATOM 822 N ASP A 53 0.214 7.245 -6.885 1.00 0.00 N ATOM 823 CA ASP A 53 0.335 8.350 -7.838 1.00 0.00 C ATOM 824 C ASP A 53 -0.748 8.340 -8.929 1.00 0.00 C ATOM 825 O ASP A 53 -0.632 9.012 -9.951 1.00 0.00 O ATOM 826 CB ASP A 53 1.760 8.415 -8.412 1.00 0.00 C ATOM 827 CG ASP A 53 2.039 9.747 -9.110 1.00 0.00 C ATOM 828 OD1 ASP A 53 1.530 10.792 -8.626 1.00 0.00 O ATOM 829 OD2 ASP A 53 2.842 9.765 -10.076 1.00 0.00 O ATOM 0 H ASP A 53 0.072 7.554 -5.923 1.00 0.00 H new ATOM 0 HA ASP A 53 0.156 9.272 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.481 8.270 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.903 7.598 -9.120 1.00 0.00 H new ATOM 834 N GLY A 54 -1.830 7.586 -8.717 1.00 0.00 N ATOM 835 CA GLY A 54 -2.910 7.410 -9.670 1.00 0.00 C ATOM 836 C GLY A 54 -2.807 6.116 -10.470 1.00 0.00 C ATOM 837 O GLY A 54 -3.793 5.715 -11.091 1.00 0.00 O ATOM 0 H GLY A 54 -1.975 7.069 -7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.861 7.424 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.918 8.255 -10.359 1.00 0.00 H new ATOM 841 N GLU A 55 -1.664 5.437 -10.446 1.00 0.00 N ATOM 842 CA GLU A 55 -1.453 4.152 -11.090 1.00 0.00 C ATOM 843 C GLU A 55 -1.793 3.102 -10.047 1.00 0.00 C ATOM 844 O GLU A 55 -1.240 3.108 -8.956 1.00 0.00 O ATOM 845 CB GLU A 55 0.003 4.005 -11.575 1.00 0.00 C ATOM 846 CG GLU A 55 0.072 3.936 -13.107 1.00 0.00 C ATOM 847 CD GLU A 55 1.510 3.830 -13.619 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.354 4.693 -13.282 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.855 2.875 -14.360 1.00 0.00 O ATOM 0 H GLU A 55 -0.835 5.780 -9.961 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.078 4.046 -11.976 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.595 4.848 -11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.443 3.104 -11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.500 3.076 -13.456 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.397 4.824 -13.530 1.00 0.00 H new ATOM 856 N VAL A 56 -2.740 2.228 -10.335 1.00 0.00 N ATOM 857 CA VAL A 56 -2.895 0.973 -9.632 1.00 0.00 C ATOM 858 C VAL A 56 -1.818 0.026 -10.093 1.00 0.00 C ATOM 859 O VAL A 56 -1.449 -0.023 -11.267 1.00 0.00 O ATOM 860 CB VAL A 56 -4.294 0.382 -9.917 1.00 0.00 C ATOM 861 CG1 VAL A 56 -4.604 -0.878 -9.091 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.404 1.434 -9.741 1.00 0.00 C ATOM 0 H VAL A 56 -3.430 2.374 -11.072 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.803 1.131 -8.557 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.272 0.073 -10.962 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.601 -1.240 -9.341 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.870 -1.651 -9.317 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.561 -0.637 -8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.372 0.980 -9.950 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.392 1.808 -8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.234 2.261 -10.431 1.00 0.00 H new ATOM 872 N LEU A 57 -1.311 -0.677 -9.092 1.00 0.00 N ATOM 873 CA LEU A 57 -0.208 -1.610 -9.221 1.00 0.00 C ATOM 874 C LEU A 57 -0.719 -3.029 -9.016 1.00 0.00 C ATOM 875 O LEU A 57 -1.791 -3.216 -8.431 1.00 0.00 O ATOM 876 CB LEU A 57 0.853 -1.291 -8.165 1.00 0.00 C ATOM 877 CG LEU A 57 1.111 0.202 -7.903 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.430 1.052 -9.140 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.139 0.855 -6.951 1.00 0.00 C ATOM 0 H LEU A 57 -1.669 -0.610 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 57 0.230 -1.522 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.556 -1.759 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.792 -1.754 -8.469 1.00 0.00 H new ATOM 0 HG LEU A 57 2.057 0.177 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.594 2.087 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.329 0.668 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.595 1.006 -9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.400 1.906 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.871 0.777 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.185 0.354 -5.984 1.00 0.00 H new ATOM 891 N SER A 58 0.054 -4.037 -9.424 1.00 0.00 N ATOM 892 CA SER A 58 -0.155 -5.376 -8.876 1.00 0.00 C ATOM 893 C SER A 58 0.377 -5.383 -7.450 1.00 0.00 C ATOM 894 O SER A 58 1.187 -4.537 -7.063 1.00 0.00 O ATOM 895 CB SER A 58 0.510 -6.493 -9.705 1.00 0.00 C ATOM 896 OG SER A 58 1.161 -5.987 -10.849 1.00 0.00 O ATOM 0 H SER A 58 0.806 -3.957 -10.109 1.00 0.00 H new ATOM 0 HA SER A 58 -1.223 -5.592 -8.904 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.230 -7.025 -9.084 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.246 -7.218 -10.009 1.00 0.00 H new ATOM 0 HG SER A 58 1.571 -6.726 -11.346 1.00 0.00 H new ATOM 902 N LEU A 59 -0.004 -6.396 -6.684 1.00 0.00 N ATOM 903 CA LEU A 59 0.526 -6.621 -5.356 1.00 0.00 C ATOM 904 C LEU A 59 1.987 -6.996 -5.455 1.00 0.00 C ATOM 905 O LEU A 59 2.851 -6.443 -4.785 1.00 0.00 O ATOM 906 CB LEU A 59 -0.241 -7.778 -4.731 1.00 0.00 C ATOM 907 CG LEU A 59 0.211 -8.113 -3.296 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.990 -9.403 -3.203 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.936 -7.064 -2.433 1.00 0.00 C ATOM 0 H LEU A 59 -0.696 -7.088 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 59 0.424 -5.720 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.304 -7.536 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.122 -8.663 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.783 -8.176 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.278 -9.580 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.370 -10.228 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.885 -9.333 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.170 -7.493 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.859 -6.761 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.293 -6.194 -2.301 1.00 0.00 H new ATOM 921 N ASP A 60 2.262 -7.986 -6.290 1.00 0.00 N ATOM 922 CA ASP A 60 3.600 -8.543 -6.313 1.00 0.00 C ATOM 923 C ASP A 60 4.582 -7.508 -6.859 1.00 0.00 C ATOM 924 O ASP A 60 5.698 -7.368 -6.355 1.00 0.00 O ATOM 925 CB ASP A 60 3.607 -9.838 -7.142 1.00 0.00 C ATOM 926 CG ASP A 60 4.069 -11.061 -6.331 1.00 0.00 C ATOM 927 OD1 ASP A 60 3.956 -11.048 -5.082 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.517 -12.070 -6.918 1.00 0.00 O ATOM 0 H ASP A 60 1.599 -8.408 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 60 3.917 -8.795 -5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.605 -10.022 -7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.263 -9.710 -8.003 1.00 0.00 H new ATOM 933 N LYS A 61 4.095 -6.701 -7.806 1.00 0.00 N ATOM 934 CA LYS A 61 4.756 -5.518 -8.325 1.00 0.00 C ATOM 935 C LYS A 61 4.972 -4.518 -7.220 1.00 0.00 C ATOM 936 O LYS A 61 6.075 -3.994 -7.136 1.00 0.00 O ATOM 937 CB LYS A 61 3.894 -4.844 -9.389 1.00 0.00 C ATOM 938 CG LYS A 61 4.257 -5.299 -10.799 1.00 0.00 C ATOM 939 CD LYS A 61 3.594 -4.389 -11.845 1.00 0.00 C ATOM 940 CE LYS A 61 4.431 -3.159 -12.222 1.00 0.00 C ATOM 941 NZ LYS A 61 5.576 -3.503 -13.090 1.00 0.00 N ATOM 0 H LYS A 61 3.190 -6.869 -8.245 1.00 0.00 H new ATOM 0 HA LYS A 61 5.708 -5.833 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.844 -5.065 -9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.010 -3.763 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.339 -5.281 -10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.936 -6.330 -10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.396 -4.971 -12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.629 -4.056 -11.463 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.797 -2.433 -12.732 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.798 -2.680 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.111 -2.640 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.197 -4.175 -12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.228 -3.936 -13.969 1.00 0.00 H new ATOM 955 N LEU A 62 3.947 -4.210 -6.420 1.00 0.00 N ATOM 956 CA LEU A 62 4.026 -3.238 -5.342 1.00 0.00 C ATOM 957 C LEU A 62 5.260 -3.505 -4.502 1.00 0.00 C ATOM 958 O LEU A 62 6.028 -2.578 -4.284 1.00 0.00 O ATOM 959 CB LEU A 62 2.768 -3.233 -4.470 1.00 0.00 C ATOM 960 CG LEU A 62 2.892 -2.333 -3.222 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.117 -0.855 -3.570 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.623 -2.441 -2.385 1.00 0.00 C ATOM 0 H LEU A 62 3.027 -4.640 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 62 4.100 -2.248 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.921 -2.897 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.550 -4.253 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 62 3.763 -2.684 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.196 -0.273 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.037 -0.753 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.277 -0.488 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.713 -1.805 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.767 -2.120 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.480 -3.475 -2.072 1.00 0.00 H new ATOM 974 N LYS A 63 5.506 -4.745 -4.069 1.00 0.00 N ATOM 975 CA LYS A 63 6.696 -5.024 -3.269 1.00 0.00 C ATOM 976 C LYS A 63 7.968 -4.581 -4.010 1.00 0.00 C ATOM 977 O LYS A 63 8.787 -3.841 -3.464 1.00 0.00 O ATOM 978 CB LYS A 63 6.768 -6.507 -2.859 1.00 0.00 C ATOM 979 CG LYS A 63 5.474 -7.001 -2.198 1.00 0.00 C ATOM 980 CD LYS A 63 5.638 -8.380 -1.549 1.00 0.00 C ATOM 981 CE LYS A 63 4.253 -8.863 -1.113 1.00 0.00 C ATOM 982 NZ LYS A 63 4.263 -10.205 -0.498 1.00 0.00 N ATOM 0 H LYS A 63 4.911 -5.553 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 63 6.624 -4.442 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.976 -7.114 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.601 -6.650 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.158 -6.282 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.682 -7.046 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.083 -9.083 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.309 -8.321 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.835 -8.150 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.592 -8.874 -1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.295 -10.470 -0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.633 -10.897 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.869 -10.195 0.347 1.00 0.00 H new ATOM 996 N SER A 64 8.067 -4.922 -5.296 1.00 0.00 N ATOM 997 CA SER A 64 9.137 -4.471 -6.188 1.00 0.00 C ATOM 998 C SER A 64 9.133 -2.952 -6.419 1.00 0.00 C ATOM 999 O SER A 64 10.182 -2.409 -6.742 1.00 0.00 O ATOM 1000 CB SER A 64 9.052 -5.181 -7.549 1.00 0.00 C ATOM 1001 OG SER A 64 9.936 -6.283 -7.625 1.00 0.00 O ATOM 0 H SER A 64 7.392 -5.532 -5.756 1.00 0.00 H new ATOM 0 HA SER A 64 10.068 -4.729 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.031 -5.523 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.286 -4.472 -8.343 1.00 0.00 H new ATOM 0 HG SER A 64 9.852 -6.710 -8.503 1.00 0.00 H new ATOM 1007 N LEU A 65 8.008 -2.245 -6.305 1.00 0.00 N ATOM 1008 CA LEU A 65 7.933 -0.790 -6.444 1.00 0.00 C ATOM 1009 C LEU A 65 8.377 -0.099 -5.162 1.00 0.00 C ATOM 1010 O LEU A 65 8.896 1.019 -5.222 1.00 0.00 O ATOM 1011 CB LEU A 65 6.497 -0.326 -6.757 1.00 0.00 C ATOM 1012 CG LEU A 65 5.944 -0.725 -8.134 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.526 -0.201 -8.284 1.00 0.00 C ATOM 1014 CD2 LEU A 65 6.820 -0.168 -9.256 1.00 0.00 C ATOM 0 H LEU A 65 7.105 -2.677 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 65 8.594 -0.521 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.832 -0.726 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.461 0.760 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 65 5.945 -1.813 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.135 -0.485 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.896 -0.627 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.528 0.885 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.408 -0.464 -10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.846 0.920 -9.191 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.832 -0.562 -9.157 1.00 0.00 H new ATOM 1026 N LEU A 66 8.131 -0.729 -4.012 1.00 0.00 N ATOM 1027 CA LEU A 66 8.554 -0.206 -2.717 1.00 0.00 C ATOM 1028 C LEU A 66 10.061 -0.416 -2.569 1.00 0.00 C ATOM 1029 O LEU A 66 10.742 0.402 -1.948 1.00 0.00 O ATOM 1030 CB LEU A 66 7.797 -0.901 -1.577 1.00 0.00 C ATOM 1031 CG LEU A 66 6.274 -0.663 -1.588 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.603 -1.532 -0.538 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.876 0.768 -1.272 1.00 0.00 C ATOM 0 H LEU A 66 7.632 -1.617 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 66 8.327 0.859 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.986 -1.973 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.200 -0.555 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 66 5.956 -0.905 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.527 -1.357 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.803 -2.582 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.997 -1.282 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.790 0.858 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.238 1.036 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.314 1.439 -2.011 1.00 0.00 H new ATOM 1045 N SER A 67 10.587 -1.494 -3.153 1.00 0.00 N ATOM 1046 CA SER A 67 12.006 -1.748 -3.283 1.00 0.00 C ATOM 1047 C SER A 67 12.652 -0.627 -4.097 1.00 0.00 C ATOM 1048 O SER A 67 13.813 -0.281 -3.783 1.00 0.00 O ATOM 1049 CB SER A 67 12.191 -3.128 -3.924 1.00 0.00 C ATOM 1050 OG SER A 67 13.503 -3.611 -3.698 1.00 0.00 O ATOM 0 H SER A 67 10.011 -2.232 -3.558 1.00 0.00 H new ATOM 0 HA SER A 67 12.499 -1.758 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.464 -3.827 -3.511 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.000 -3.066 -4.995 1.00 0.00 H new ATOM 0 HG SER A 67 13.603 -4.493 -4.113 1.00 0.00 H new TER 1056 SER A 67