USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 481 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0276 (180deg=-0.403) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 9:sc= -0.32 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= -0.12 (180deg=-1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0415 K(o=-0.042,f=-2.1!) USER MOD Single : A 52 HIS : no HD1:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-5.2!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.0918 F(o=-0.62,f=-0.092) USER MOD Single : A 56 HIS : no HD1:sc= -1.22! C(o=-1.2!,f=-2!) USER MOD Single : A 57 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.049 -41.467 -14.197 1.00 0.00 N ATOM 2 CA MET A 1 10.457 -41.291 -12.807 1.00 0.00 C ATOM 3 C MET A 1 9.386 -40.538 -12.025 1.00 0.00 C ATOM 4 O MET A 1 9.003 -39.427 -12.389 1.00 0.00 O ATOM 5 CB MET A 1 11.775 -40.515 -12.744 1.00 0.00 C ATOM 6 CG MET A 1 12.870 -41.305 -13.463 1.00 0.00 C ATOM 7 SD MET A 1 14.472 -40.508 -13.183 1.00 0.00 S ATOM 8 CE MET A 1 15.163 -41.768 -12.083 1.00 0.00 C ATOM 0 H1 MET A 1 10.651 -42.186 -14.647 1.00 0.00 H new ATOM 0 H2 MET A 1 9.057 -41.776 -14.231 1.00 0.00 H new ATOM 0 H3 MET A 1 10.148 -40.565 -14.705 1.00 0.00 H new ATOM 0 HA MET A 1 10.592 -42.276 -12.361 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.655 -39.536 -13.208 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.058 -40.343 -11.706 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.893 -42.331 -13.096 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.657 -41.353 -14.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.168 -41.475 -11.781 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.532 -41.865 -11.199 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.205 -42.724 -12.606 1.00 0.00 H new ATOM 18 N THR A 2 8.907 -41.151 -10.947 1.00 0.00 N ATOM 19 CA THR A 2 7.881 -40.529 -10.117 1.00 0.00 C ATOM 20 C THR A 2 8.521 -39.725 -8.990 1.00 0.00 C ATOM 21 O THR A 2 7.897 -38.832 -8.419 1.00 0.00 O ATOM 22 CB THR A 2 6.965 -41.603 -9.524 1.00 0.00 C ATOM 23 OG1 THR A 2 6.995 -42.759 -10.350 1.00 0.00 O ATOM 24 CG2 THR A 2 5.534 -41.069 -9.443 1.00 0.00 C ATOM 0 H THR A 2 9.210 -42.072 -10.629 1.00 0.00 H new ATOM 0 HA THR A 2 7.293 -39.856 -10.741 1.00 0.00 H new ATOM 0 HB THR A 2 7.311 -41.862 -8.523 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.410 -43.448 -9.970 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.883 -41.835 -9.021 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.512 -40.183 -8.808 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.186 -40.808 -10.442 1.00 0.00 H new ATOM 32 N TYR A 3 9.771 -40.050 -8.675 1.00 0.00 N ATOM 33 CA TYR A 3 10.488 -39.352 -7.613 1.00 0.00 C ATOM 34 C TYR A 3 10.533 -37.854 -7.889 1.00 0.00 C ATOM 35 O TYR A 3 10.493 -37.041 -6.965 1.00 0.00 O ATOM 36 CB TYR A 3 11.915 -39.894 -7.503 1.00 0.00 C ATOM 37 CG TYR A 3 11.910 -41.167 -6.693 1.00 0.00 C ATOM 38 CD1 TYR A 3 12.049 -41.113 -5.301 1.00 0.00 C ATOM 39 CD2 TYR A 3 11.767 -42.404 -7.334 1.00 0.00 C ATOM 40 CE1 TYR A 3 12.045 -42.294 -4.550 1.00 0.00 C ATOM 41 CE2 TYR A 3 11.764 -43.585 -6.583 1.00 0.00 C ATOM 42 CZ TYR A 3 11.903 -43.530 -5.191 1.00 0.00 C ATOM 43 OH TYR A 3 11.899 -44.696 -4.451 1.00 0.00 O ATOM 0 H TYR A 3 10.305 -40.787 -9.136 1.00 0.00 H new ATOM 0 HA TYR A 3 9.960 -39.521 -6.674 1.00 0.00 H new ATOM 0 HB2 TYR A 3 12.320 -40.085 -8.497 1.00 0.00 H new ATOM 0 HB3 TYR A 3 12.561 -39.153 -7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.159 -40.159 -4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.659 -42.447 -8.408 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.151 -42.252 -3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.654 -44.539 -7.077 1.00 0.00 H new ATOM 0 HH TYR A 3 11.790 -45.464 -5.051 1.00 0.00 H new ATOM 53 N PHE A 4 10.618 -37.494 -9.165 1.00 0.00 N ATOM 54 CA PHE A 4 10.670 -36.088 -9.549 1.00 0.00 C ATOM 55 C PHE A 4 9.494 -35.324 -8.951 1.00 0.00 C ATOM 56 O PHE A 4 9.660 -34.227 -8.416 1.00 0.00 O ATOM 57 CB PHE A 4 10.638 -35.961 -11.073 1.00 0.00 C ATOM 58 CG PHE A 4 10.443 -34.513 -11.453 1.00 0.00 C ATOM 59 CD1 PHE A 4 11.470 -33.589 -11.234 1.00 0.00 C ATOM 60 CD2 PHE A 4 9.233 -34.096 -12.020 1.00 0.00 C ATOM 61 CE1 PHE A 4 11.289 -32.245 -11.584 1.00 0.00 C ATOM 62 CE2 PHE A 4 9.052 -32.752 -12.370 1.00 0.00 C ATOM 63 CZ PHE A 4 10.080 -31.827 -12.153 1.00 0.00 C ATOM 0 H PHE A 4 10.652 -38.150 -9.945 1.00 0.00 H new ATOM 0 HA PHE A 4 11.598 -35.662 -9.167 1.00 0.00 H new ATOM 0 HB2 PHE A 4 11.567 -36.338 -11.500 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.830 -36.568 -11.482 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.402 -33.912 -10.795 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.440 -34.810 -12.187 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.082 -31.531 -11.415 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.119 -32.429 -12.808 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.941 -30.791 -12.424 1.00 0.00 H new ATOM 73 N TYR A 5 8.304 -35.907 -9.050 1.00 0.00 N ATOM 74 CA TYR A 5 7.105 -35.270 -8.517 1.00 0.00 C ATOM 75 C TYR A 5 7.190 -35.142 -6.999 1.00 0.00 C ATOM 76 O TYR A 5 6.945 -34.070 -6.444 1.00 0.00 O ATOM 77 CB TYR A 5 5.870 -36.090 -8.895 1.00 0.00 C ATOM 78 CG TYR A 5 4.752 -35.160 -9.298 1.00 0.00 C ATOM 79 CD1 TYR A 5 3.874 -34.658 -8.329 1.00 0.00 C ATOM 80 CD2 TYR A 5 4.592 -34.798 -10.641 1.00 0.00 C ATOM 81 CE1 TYR A 5 2.838 -33.795 -8.703 1.00 0.00 C ATOM 82 CE2 TYR A 5 3.556 -33.934 -11.014 1.00 0.00 C ATOM 83 CZ TYR A 5 2.679 -33.433 -10.045 1.00 0.00 C ATOM 84 OH TYR A 5 1.657 -32.582 -10.414 1.00 0.00 O ATOM 0 H TYR A 5 8.144 -36.813 -9.491 1.00 0.00 H new ATOM 0 HA TYR A 5 7.026 -34.271 -8.947 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.107 -36.767 -9.715 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.558 -36.707 -8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.997 -34.937 -7.293 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.268 -35.185 -11.389 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.161 -33.408 -7.956 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.433 -33.654 -12.050 1.00 0.00 H new ATOM 0 HH TYR A 5 1.689 -32.432 -11.382 1.00 0.00 H new ATOM 94 N VAL A 6 7.534 -36.239 -6.334 1.00 0.00 N ATOM 95 CA VAL A 6 7.642 -36.236 -4.878 1.00 0.00 C ATOM 96 C VAL A 6 8.750 -35.293 -4.420 1.00 0.00 C ATOM 97 O VAL A 6 8.782 -34.874 -3.263 1.00 0.00 O ATOM 98 CB VAL A 6 7.934 -37.650 -4.373 1.00 0.00 C ATOM 99 CG1 VAL A 6 8.093 -37.624 -2.853 1.00 0.00 C ATOM 100 CG2 VAL A 6 6.774 -38.574 -4.750 1.00 0.00 C ATOM 0 H VAL A 6 7.742 -37.135 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 6 6.694 -35.890 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 6 8.854 -38.018 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.301 -38.631 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.918 -36.964 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.173 -37.258 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.980 -39.582 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.854 -38.208 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.660 -38.591 -5.834 1.00 0.00 H new ATOM 110 N THR A 7 9.658 -34.965 -5.333 1.00 0.00 N ATOM 111 CA THR A 7 10.764 -34.072 -5.008 1.00 0.00 C ATOM 112 C THR A 7 10.412 -32.630 -5.357 1.00 0.00 C ATOM 113 O THR A 7 10.872 -31.693 -4.705 1.00 0.00 O ATOM 114 CB THR A 7 12.018 -34.494 -5.776 1.00 0.00 C ATOM 115 OG1 THR A 7 11.722 -34.554 -7.165 1.00 0.00 O ATOM 116 CG2 THR A 7 12.479 -35.869 -5.290 1.00 0.00 C ATOM 0 H THR A 7 9.651 -35.301 -6.296 1.00 0.00 H new ATOM 0 HA THR A 7 10.955 -34.137 -3.937 1.00 0.00 H new ATOM 0 HB THR A 7 12.812 -33.767 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.829 -34.183 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.372 -36.168 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.706 -35.821 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.688 -36.599 -5.460 1.00 0.00 H new ATOM 124 N ASP A 8 9.596 -32.460 -6.392 1.00 0.00 N ATOM 125 CA ASP A 8 9.189 -31.126 -6.823 1.00 0.00 C ATOM 126 C ASP A 8 8.317 -30.463 -5.768 1.00 0.00 C ATOM 127 O ASP A 8 8.191 -29.238 -5.726 1.00 0.00 O ATOM 128 CB ASP A 8 8.426 -31.211 -8.145 1.00 0.00 C ATOM 129 CG ASP A 8 7.931 -29.828 -8.552 1.00 0.00 C ATOM 130 OD1 ASP A 8 8.762 -28.985 -8.844 1.00 0.00 O ATOM 131 OD2 ASP A 8 6.727 -29.631 -8.567 1.00 0.00 O ATOM 0 H ASP A 8 9.205 -33.223 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 8 10.086 -30.523 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.073 -31.618 -8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.582 -31.893 -8.044 1.00 0.00 H new ATOM 136 N TYR A 9 7.717 -31.282 -4.921 1.00 0.00 N ATOM 137 CA TYR A 9 6.850 -30.780 -3.861 1.00 0.00 C ATOM 138 C TYR A 9 7.620 -29.845 -2.932 1.00 0.00 C ATOM 139 O TYR A 9 7.077 -28.853 -2.447 1.00 0.00 O ATOM 140 CB TYR A 9 6.283 -31.950 -3.054 1.00 0.00 C ATOM 141 CG TYR A 9 4.906 -31.593 -2.546 1.00 0.00 C ATOM 142 CD1 TYR A 9 3.802 -31.665 -3.405 1.00 0.00 C ATOM 143 CD2 TYR A 9 4.732 -31.191 -1.216 1.00 0.00 C ATOM 144 CE1 TYR A 9 2.525 -31.335 -2.933 1.00 0.00 C ATOM 145 CE2 TYR A 9 3.456 -30.862 -0.744 1.00 0.00 C ATOM 146 CZ TYR A 9 2.352 -30.934 -1.603 1.00 0.00 C ATOM 147 OH TYR A 9 1.093 -30.609 -1.138 1.00 0.00 O ATOM 0 H TYR A 9 7.812 -32.297 -4.944 1.00 0.00 H new ATOM 0 HA TYR A 9 6.033 -30.223 -4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.232 -32.844 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.942 -32.181 -2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.935 -31.975 -4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.583 -31.135 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.674 -31.390 -3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.323 -30.553 0.282 1.00 0.00 H new ATOM 0 HH TYR A 9 1.149 -30.353 -0.194 1.00 0.00 H new ATOM 157 N LEU A 10 8.885 -30.170 -2.687 1.00 0.00 N ATOM 158 CA LEU A 10 9.718 -29.353 -1.813 1.00 0.00 C ATOM 159 C LEU A 10 10.141 -28.068 -2.519 1.00 0.00 C ATOM 160 O LEU A 10 11.280 -27.621 -2.384 1.00 0.00 O ATOM 161 CB LEU A 10 10.961 -30.137 -1.389 1.00 0.00 C ATOM 162 CG LEU A 10 10.577 -31.589 -1.106 1.00 0.00 C ATOM 163 CD1 LEU A 10 11.842 -32.421 -0.896 1.00 0.00 C ATOM 164 CD2 LEU A 10 9.714 -31.650 0.157 1.00 0.00 C ATOM 0 H LEU A 10 9.353 -30.987 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 10 9.135 -29.093 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.715 -30.096 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.402 -29.687 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 10 10.016 -31.987 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.567 -33.456 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.459 -32.378 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.403 -32.023 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.439 -32.685 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.276 -31.251 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.811 -31.057 0.010 1.00 0.00 H new ATOM 176 N ASP A 11 9.216 -27.478 -3.268 1.00 0.00 N ATOM 177 CA ASP A 11 9.501 -26.244 -3.985 1.00 0.00 C ATOM 178 C ASP A 11 8.345 -25.266 -3.832 1.00 0.00 C ATOM 179 O ASP A 11 7.192 -25.602 -4.104 1.00 0.00 O ATOM 180 CB ASP A 11 9.732 -26.540 -5.469 1.00 0.00 C ATOM 181 CG ASP A 11 10.606 -25.455 -6.087 1.00 0.00 C ATOM 182 OD1 ASP A 11 11.811 -25.514 -5.902 1.00 0.00 O ATOM 183 OD2 ASP A 11 10.057 -24.580 -6.737 1.00 0.00 O ATOM 0 H ASP A 11 8.268 -27.833 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 11 10.402 -25.798 -3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.210 -27.513 -5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.777 -26.590 -5.991 1.00 0.00 H new ATOM 188 N VAL A 12 8.660 -24.055 -3.395 1.00 0.00 N ATOM 189 CA VAL A 12 7.642 -23.029 -3.207 1.00 0.00 C ATOM 190 C VAL A 12 7.871 -21.865 -4.164 1.00 0.00 C ATOM 191 O VAL A 12 8.550 -20.894 -3.829 1.00 0.00 O ATOM 192 CB VAL A 12 7.673 -22.523 -1.765 1.00 0.00 C ATOM 193 CG1 VAL A 12 6.692 -21.359 -1.610 1.00 0.00 C ATOM 194 CG2 VAL A 12 7.270 -23.658 -0.822 1.00 0.00 C ATOM 0 H VAL A 12 9.608 -23.759 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 12 6.666 -23.468 -3.416 1.00 0.00 H new ATOM 0 HB VAL A 12 8.679 -22.183 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.715 -20.999 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.977 -20.551 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.685 -21.697 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.291 -23.301 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.263 -23.996 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.968 -24.488 -0.932 1.00 0.00 H new ATOM 204 N PRO A 13 7.318 -21.949 -5.342 1.00 0.00 N ATOM 205 CA PRO A 13 7.459 -20.885 -6.377 1.00 0.00 C ATOM 206 C PRO A 13 7.099 -19.504 -5.835 1.00 0.00 C ATOM 207 O PRO A 13 6.309 -19.379 -4.900 1.00 0.00 O ATOM 208 CB PRO A 13 6.484 -21.309 -7.479 1.00 0.00 C ATOM 209 CG PRO A 13 6.295 -22.779 -7.303 1.00 0.00 C ATOM 210 CD PRO A 13 6.495 -23.071 -5.816 1.00 0.00 C ATOM 0 HA PRO A 13 8.487 -20.794 -6.727 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.536 -20.778 -7.389 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.885 -21.081 -8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.300 -23.083 -7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.011 -23.337 -7.907 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.543 -23.120 -5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.995 -24.027 -5.660 1.00 0.00 H new ATOM 218 N SER A 14 7.688 -18.473 -6.430 1.00 0.00 N ATOM 219 CA SER A 14 7.429 -17.103 -6.003 1.00 0.00 C ATOM 220 C SER A 14 6.021 -16.674 -6.396 1.00 0.00 C ATOM 221 O SER A 14 5.531 -15.634 -5.951 1.00 0.00 O ATOM 222 CB SER A 14 8.450 -16.156 -6.632 1.00 0.00 C ATOM 223 OG SER A 14 9.724 -16.381 -6.045 1.00 0.00 O ATOM 0 H SER A 14 8.345 -18.559 -7.206 1.00 0.00 H new ATOM 0 HA SER A 14 7.517 -17.060 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.499 -16.319 -7.709 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.145 -15.121 -6.480 1.00 0.00 H new ATOM 0 HG SER A 14 10.381 -15.776 -6.448 1.00 0.00 H new ATOM 229 N ASN A 15 5.375 -17.473 -7.234 1.00 0.00 N ATOM 230 CA ASN A 15 4.026 -17.155 -7.675 1.00 0.00 C ATOM 231 C ASN A 15 3.109 -16.962 -6.473 1.00 0.00 C ATOM 232 O ASN A 15 2.148 -16.193 -6.532 1.00 0.00 O ATOM 233 CB ASN A 15 3.484 -18.280 -8.559 1.00 0.00 C ATOM 234 CG ASN A 15 4.480 -18.598 -9.668 1.00 0.00 C ATOM 235 OD1 ASN A 15 5.308 -17.759 -10.019 1.00 0.00 O ATOM 236 ND2 ASN A 15 4.448 -19.769 -10.244 1.00 0.00 N ATOM 0 H ASN A 15 5.759 -18.337 -7.618 1.00 0.00 H new ATOM 0 HA ASN A 15 4.058 -16.230 -8.250 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.301 -19.170 -7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.528 -17.985 -8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.111 -19.990 -10.987 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.760 -20.463 -9.951 1.00 0.00 H new ATOM 243 N ILE A 16 3.415 -17.653 -5.378 1.00 0.00 N ATOM 244 CA ILE A 16 2.607 -17.529 -4.170 1.00 0.00 C ATOM 245 C ILE A 16 2.947 -16.241 -3.447 1.00 0.00 C ATOM 246 O ILE A 16 2.159 -15.719 -2.664 1.00 0.00 O ATOM 247 CB ILE A 16 2.831 -18.730 -3.248 1.00 0.00 C ATOM 248 CG1 ILE A 16 3.197 -19.956 -4.087 1.00 0.00 C ATOM 249 CG2 ILE A 16 1.549 -19.018 -2.465 1.00 0.00 C ATOM 250 CD1 ILE A 16 3.177 -21.204 -3.203 1.00 0.00 C ATOM 0 H ILE A 16 4.204 -18.295 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 16 1.555 -17.506 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 16 3.641 -18.507 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.492 -20.070 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.185 -19.826 -4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.708 -19.873 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.284 -18.146 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.740 -19.240 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.438 -22.077 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.899 -21.089 -2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.180 -21.336 -2.783 1.00 0.00 H new ATOM 262 N ALA A 17 4.124 -15.737 -3.742 1.00 0.00 N ATOM 263 CA ALA A 17 4.598 -14.493 -3.149 1.00 0.00 C ATOM 264 C ALA A 17 3.921 -13.304 -3.820 1.00 0.00 C ATOM 265 O ALA A 17 3.798 -12.227 -3.237 1.00 0.00 O ATOM 266 CB ALA A 17 6.110 -14.378 -3.319 1.00 0.00 C ATOM 0 H ALA A 17 4.780 -16.168 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 17 4.353 -14.495 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.456 -13.446 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.597 -15.219 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.359 -14.387 -4.380 1.00 0.00 H new ATOM 272 N LYS A 18 3.481 -13.522 -5.052 1.00 0.00 N ATOM 273 CA LYS A 18 2.806 -12.486 -5.819 1.00 0.00 C ATOM 274 C LYS A 18 1.319 -12.554 -5.544 1.00 0.00 C ATOM 275 O LYS A 18 0.609 -11.551 -5.598 1.00 0.00 O ATOM 276 CB LYS A 18 3.068 -12.677 -7.314 1.00 0.00 C ATOM 277 CG LYS A 18 2.209 -11.696 -8.114 1.00 0.00 C ATOM 278 CD LYS A 18 3.064 -11.031 -9.194 1.00 0.00 C ATOM 279 CE LYS A 18 2.266 -9.906 -9.856 1.00 0.00 C ATOM 280 NZ LYS A 18 1.897 -8.890 -8.831 1.00 0.00 N ATOM 0 H LYS A 18 3.580 -14.411 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 18 3.190 -11.510 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.123 -12.514 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.836 -13.701 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.370 -12.220 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.789 -10.940 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.979 -10.633 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.363 -11.767 -9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.857 -9.443 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.368 -10.309 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.782 -7.962 -9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.003 -9.165 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.648 -8.832 -8.113 1.00 0.00 H new ATOM 294 N ILE A 19 0.869 -13.755 -5.221 1.00 0.00 N ATOM 295 CA ILE A 19 -0.530 -13.976 -4.900 1.00 0.00 C ATOM 296 C ILE A 19 -0.743 -13.669 -3.429 1.00 0.00 C ATOM 297 O ILE A 19 -1.865 -13.438 -2.980 1.00 0.00 O ATOM 298 CB ILE A 19 -0.918 -15.426 -5.189 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.036 -15.631 -6.701 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.263 -15.735 -4.527 1.00 0.00 C ATOM 301 CD1 ILE A 19 -0.789 -17.102 -7.039 1.00 0.00 C ATOM 0 H ILE A 19 1.452 -14.591 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.154 -13.325 -5.513 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.154 -16.093 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.026 -15.330 -7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.314 -15.001 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.541 -16.769 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.181 -15.589 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.027 -15.068 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.873 -17.247 -8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.211 -17.388 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.528 -17.721 -6.531 1.00 0.00 H new ATOM 313 N ILE A 20 0.360 -13.667 -2.686 1.00 0.00 N ATOM 314 CA ILE A 20 0.305 -13.382 -1.256 1.00 0.00 C ATOM 315 C ILE A 20 0.565 -11.902 -0.993 1.00 0.00 C ATOM 316 O ILE A 20 -0.179 -11.251 -0.260 1.00 0.00 O ATOM 317 CB ILE A 20 1.343 -14.219 -0.510 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.830 -15.656 -0.365 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.577 -13.622 0.878 1.00 0.00 C ATOM 320 CD1 ILE A 20 1.977 -16.565 0.083 1.00 0.00 C ATOM 0 H ILE A 20 1.295 -13.858 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.692 -13.637 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 20 2.279 -14.220 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.018 -15.692 0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.424 -16.006 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.317 -14.219 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.940 -12.599 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.641 -13.622 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.612 -17.587 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.774 -16.538 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.362 -16.219 1.042 1.00 0.00 H new ATOM 332 N ILE A 21 1.630 -11.376 -1.592 1.00 0.00 N ATOM 333 CA ILE A 21 1.981 -9.972 -1.411 1.00 0.00 C ATOM 334 C ILE A 21 1.279 -9.100 -2.447 1.00 0.00 C ATOM 335 O ILE A 21 1.209 -7.879 -2.298 1.00 0.00 O ATOM 336 CB ILE A 21 3.496 -9.795 -1.529 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.189 -10.641 -0.459 1.00 0.00 C ATOM 338 CG2 ILE A 21 3.856 -8.323 -1.327 1.00 0.00 C ATOM 339 CD1 ILE A 21 5.706 -10.521 -0.614 1.00 0.00 C ATOM 0 H ILE A 21 2.260 -11.897 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 21 1.655 -9.662 -0.418 1.00 0.00 H new ATOM 0 HB ILE A 21 3.824 -10.115 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.887 -10.308 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.885 -11.684 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.935 -8.198 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.360 -7.720 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.529 -8.001 -0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.199 -11.124 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.000 -10.875 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.002 -9.478 -0.499 1.00 0.00 H new ATOM 351 N GLY A 22 0.762 -9.731 -3.496 1.00 0.00 N ATOM 352 CA GLY A 22 0.066 -8.997 -4.548 1.00 0.00 C ATOM 353 C GLY A 22 -0.887 -7.969 -3.950 1.00 0.00 C ATOM 354 O GLY A 22 -0.805 -6.777 -4.251 1.00 0.00 O ATOM 0 H GLY A 22 0.810 -10.740 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.791 -8.497 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.490 -9.693 -5.177 1.00 0.00 H new ATOM 358 N PRO A 23 -1.781 -8.411 -3.108 1.00 0.00 N ATOM 359 CA PRO A 23 -2.772 -7.517 -2.444 1.00 0.00 C ATOM 360 C PRO A 23 -2.089 -6.349 -1.743 1.00 0.00 C ATOM 361 O PRO A 23 -2.673 -5.276 -1.589 1.00 0.00 O ATOM 362 CB PRO A 23 -3.476 -8.429 -1.434 1.00 0.00 C ATOM 363 CG PRO A 23 -3.265 -9.820 -1.935 1.00 0.00 C ATOM 364 CD PRO A 23 -1.942 -9.813 -2.699 1.00 0.00 C ATOM 0 HA PRO A 23 -3.462 -7.064 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.058 -8.304 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.538 -8.193 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.231 -10.529 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.085 -10.127 -2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.115 -10.144 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.974 -10.480 -3.561 1.00 0.00 H new ATOM 372 N LEU A 24 -0.842 -6.561 -1.333 1.00 0.00 N ATOM 373 CA LEU A 24 -0.085 -5.513 -0.665 1.00 0.00 C ATOM 374 C LEU A 24 0.489 -4.558 -1.696 1.00 0.00 C ATOM 375 O LEU A 24 0.466 -3.341 -1.515 1.00 0.00 O ATOM 376 CB LEU A 24 1.046 -6.121 0.168 1.00 0.00 C ATOM 377 CG LEU A 24 0.694 -6.031 1.654 1.00 0.00 C ATOM 378 CD1 LEU A 24 1.705 -6.843 2.466 1.00 0.00 C ATOM 379 CD2 LEU A 24 0.742 -4.568 2.099 1.00 0.00 C ATOM 0 H LEU A 24 -0.340 -7.441 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.753 -4.966 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.202 -7.161 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.980 -5.593 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.308 -6.429 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.456 -6.780 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.675 -7.885 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.706 -6.443 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.491 -4.501 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.744 -4.171 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.024 -3.988 1.519 1.00 0.00 H new ATOM 391 N ILE A 25 0.977 -5.119 -2.793 1.00 0.00 N ATOM 392 CA ILE A 25 1.525 -4.306 -3.863 1.00 0.00 C ATOM 393 C ILE A 25 0.521 -3.222 -4.226 1.00 0.00 C ATOM 394 O ILE A 25 0.893 -2.116 -4.616 1.00 0.00 O ATOM 395 CB ILE A 25 1.820 -5.173 -5.089 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.150 -5.903 -4.886 1.00 0.00 C ATOM 397 CG2 ILE A 25 1.911 -4.286 -6.331 1.00 0.00 C ATOM 398 CD1 ILE A 25 3.420 -6.813 -6.086 1.00 0.00 C ATOM 0 H ILE A 25 1.004 -6.124 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 25 2.457 -3.849 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 25 1.020 -5.901 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.960 -5.182 -4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.118 -6.492 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.121 -4.903 -7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.965 -3.763 -6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.712 -3.558 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.367 -7.333 -5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.615 -7.543 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.470 -6.212 -6.994 1.00 0.00 H new ATOM 410 N PHE A 26 -0.760 -3.558 -4.091 1.00 0.00 N ATOM 411 CA PHE A 26 -1.825 -2.613 -4.403 1.00 0.00 C ATOM 412 C PHE A 26 -1.750 -1.399 -3.484 1.00 0.00 C ATOM 413 O PHE A 26 -1.771 -0.258 -3.943 1.00 0.00 O ATOM 414 CB PHE A 26 -3.188 -3.292 -4.245 1.00 0.00 C ATOM 415 CG PHE A 26 -4.267 -2.388 -4.790 1.00 0.00 C ATOM 416 CD1 PHE A 26 -4.647 -1.243 -4.078 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.890 -2.694 -6.006 1.00 0.00 C ATOM 418 CE1 PHE A 26 -5.648 -0.405 -4.583 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.890 -1.855 -6.511 1.00 0.00 C ATOM 420 CZ PHE A 26 -6.270 -0.711 -5.799 1.00 0.00 C ATOM 0 H PHE A 26 -1.082 -4.471 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.701 -2.282 -5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.195 -4.245 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.378 -3.510 -3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.168 -1.007 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.599 -3.578 -6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.941 0.478 -4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.369 -2.090 -7.450 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.043 -0.065 -6.188 1.00 0.00 H new ATOM 430 N VAL A 27 -1.657 -1.654 -2.183 1.00 0.00 N ATOM 431 CA VAL A 27 -1.573 -0.573 -1.207 1.00 0.00 C ATOM 432 C VAL A 27 -0.258 0.180 -1.368 1.00 0.00 C ATOM 433 O VAL A 27 -0.188 1.387 -1.137 1.00 0.00 O ATOM 434 CB VAL A 27 -1.673 -1.139 0.210 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.971 -0.006 1.193 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.802 -2.170 0.265 1.00 0.00 C ATOM 0 H VAL A 27 -1.638 -2.592 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.400 0.117 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.730 -1.614 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.042 -0.410 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.169 0.731 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.915 0.469 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.876 -2.575 1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.744 -1.692 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.592 -2.978 -0.436 1.00 0.00 H new ATOM 446 N PHE A 28 0.781 -0.542 -1.772 1.00 0.00 N ATOM 447 CA PHE A 28 2.092 0.060 -1.971 1.00 0.00 C ATOM 448 C PHE A 28 2.064 0.985 -3.182 1.00 0.00 C ATOM 449 O PHE A 28 2.725 2.025 -3.200 1.00 0.00 O ATOM 450 CB PHE A 28 3.139 -1.034 -2.187 1.00 0.00 C ATOM 451 CG PHE A 28 4.409 -0.670 -1.459 1.00 0.00 C ATOM 452 CD1 PHE A 28 4.552 -0.983 -0.101 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.446 -0.021 -2.140 1.00 0.00 C ATOM 454 CE1 PHE A 28 5.731 -0.647 0.574 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.624 0.316 -1.464 1.00 0.00 C ATOM 456 CZ PHE A 28 6.767 0.002 -0.108 1.00 0.00 C ATOM 0 H PHE A 28 0.740 -1.542 -1.967 1.00 0.00 H new ATOM 0 HA PHE A 28 2.352 0.639 -1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.761 -1.990 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.340 -1.154 -3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.752 -1.484 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.337 0.220 -3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.842 -0.888 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.423 0.819 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.677 0.260 0.413 1.00 0.00 H new ATOM 466 N LEU A 29 1.291 0.598 -4.189 1.00 0.00 N ATOM 467 CA LEU A 29 1.173 1.393 -5.404 1.00 0.00 C ATOM 468 C LEU A 29 0.333 2.639 -5.145 1.00 0.00 C ATOM 469 O LEU A 29 0.576 3.696 -5.726 1.00 0.00 O ATOM 470 CB LEU A 29 0.525 0.559 -6.510 1.00 0.00 C ATOM 471 CG LEU A 29 1.370 0.647 -7.782 1.00 0.00 C ATOM 472 CD1 LEU A 29 0.825 -0.329 -8.827 1.00 0.00 C ATOM 473 CD2 LEU A 29 1.308 2.073 -8.335 1.00 0.00 C ATOM 0 H LEU A 29 0.738 -0.259 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 29 2.171 1.699 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.436 -0.480 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.485 0.919 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 29 2.404 0.390 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.428 -0.266 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.867 -1.345 -8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.209 -0.073 -9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.910 2.138 -9.242 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.274 2.329 -8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.696 2.769 -7.591 1.00 0.00 H new ATOM 485 N PHE A 30 -0.657 2.505 -4.268 1.00 0.00 N ATOM 486 CA PHE A 30 -1.528 3.628 -3.941 1.00 0.00 C ATOM 487 C PHE A 30 -0.800 4.626 -3.047 1.00 0.00 C ATOM 488 O PHE A 30 -0.926 5.839 -3.224 1.00 0.00 O ATOM 489 CB PHE A 30 -2.786 3.126 -3.229 1.00 0.00 C ATOM 490 CG PHE A 30 -3.636 4.306 -2.826 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.463 4.929 -3.768 1.00 0.00 C ATOM 492 CD2 PHE A 30 -3.597 4.779 -1.508 1.00 0.00 C ATOM 493 CE1 PHE A 30 -5.251 6.024 -3.393 1.00 0.00 C ATOM 494 CE2 PHE A 30 -4.386 5.873 -1.133 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.213 6.496 -2.075 1.00 0.00 C ATOM 0 H PHE A 30 -0.875 1.639 -3.775 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.811 4.125 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.350 2.464 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.512 2.543 -2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.493 4.565 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.958 4.300 -0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.888 6.505 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.357 6.236 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.821 7.340 -1.786 1.00 0.00 H new ATOM 505 N SER A 31 -0.037 4.111 -2.089 1.00 0.00 N ATOM 506 CA SER A 31 0.708 4.971 -1.176 1.00 0.00 C ATOM 507 C SER A 31 1.816 5.704 -1.922 1.00 0.00 C ATOM 508 O SER A 31 2.111 6.864 -1.637 1.00 0.00 O ATOM 509 CB SER A 31 1.314 4.137 -0.047 1.00 0.00 C ATOM 510 OG SER A 31 2.300 4.907 0.628 1.00 0.00 O ATOM 0 H SER A 31 0.082 3.111 -1.925 1.00 0.00 H new ATOM 0 HA SER A 31 0.021 5.704 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.536 3.829 0.651 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.759 3.227 -0.450 1.00 0.00 H new ATOM 0 HG SER A 31 2.690 4.376 1.354 1.00 0.00 H new ATOM 516 N VAL A 32 2.422 5.011 -2.873 1.00 0.00 N ATOM 517 CA VAL A 32 3.503 5.589 -3.663 1.00 0.00 C ATOM 518 C VAL A 32 2.976 6.695 -4.573 1.00 0.00 C ATOM 519 O VAL A 32 3.535 7.791 -4.619 1.00 0.00 O ATOM 520 CB VAL A 32 4.165 4.501 -4.510 1.00 0.00 C ATOM 521 CG1 VAL A 32 4.866 5.140 -5.709 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.190 3.748 -3.660 1.00 0.00 C ATOM 0 H VAL A 32 2.186 4.049 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 32 4.236 6.019 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 32 3.405 3.805 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.337 4.363 -6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.135 5.676 -6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.626 5.837 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.663 2.972 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.949 4.444 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.689 3.290 -2.807 1.00 0.00 H new ATOM 532 N VAL A 33 1.900 6.401 -5.295 1.00 0.00 N ATOM 533 CA VAL A 33 1.310 7.381 -6.200 1.00 0.00 C ATOM 534 C VAL A 33 0.907 8.639 -5.438 1.00 0.00 C ATOM 535 O VAL A 33 1.352 9.740 -5.761 1.00 0.00 O ATOM 536 CB VAL A 33 0.083 6.783 -6.890 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.500 7.802 -7.871 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.495 5.522 -7.652 1.00 0.00 C ATOM 0 H VAL A 33 1.422 5.500 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 33 2.053 7.648 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.668 6.530 -6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.374 7.375 -8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.791 8.702 -7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.250 8.056 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.378 5.093 -8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.245 5.778 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.911 4.795 -6.955 1.00 0.00 H new ATOM 548 N ILE A 34 0.068 8.466 -4.423 1.00 0.00 N ATOM 549 CA ILE A 34 -0.384 9.594 -3.616 1.00 0.00 C ATOM 550 C ILE A 34 0.788 10.221 -2.878 1.00 0.00 C ATOM 551 O ILE A 34 0.718 11.364 -2.429 1.00 0.00 O ATOM 552 CB ILE A 34 -1.443 9.134 -2.614 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.053 10.357 -1.924 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.794 8.229 -1.565 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.257 9.926 -1.084 1.00 0.00 C ATOM 0 H ILE A 34 -0.311 7.562 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.822 10.340 -4.279 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.224 8.582 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.308 10.838 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.361 11.091 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.549 7.901 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.356 7.359 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.014 8.781 -1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.690 10.798 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.004 9.465 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.936 9.208 -0.330 1.00 0.00 H new ATOM 567 N GLY A 35 1.862 9.461 -2.754 1.00 0.00 N ATOM 568 CA GLY A 35 3.052 9.944 -2.067 1.00 0.00 C ATOM 569 C GLY A 35 3.714 11.062 -2.851 1.00 0.00 C ATOM 570 O GLY A 35 3.903 12.167 -2.343 1.00 0.00 O ATOM 0 H GLY A 35 1.937 8.511 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.783 10.301 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.756 9.123 -1.931 1.00 0.00 H new ATOM 574 N SER A 36 4.048 10.770 -4.098 1.00 0.00 N ATOM 575 CA SER A 36 4.670 11.761 -4.957 1.00 0.00 C ATOM 576 C SER A 36 3.660 12.851 -5.254 1.00 0.00 C ATOM 577 O SER A 36 4.017 13.993 -5.543 1.00 0.00 O ATOM 578 CB SER A 36 5.138 11.116 -6.261 1.00 0.00 C ATOM 579 OG SER A 36 6.369 11.701 -6.660 1.00 0.00 O ATOM 0 H SER A 36 3.899 9.860 -4.535 1.00 0.00 H new ATOM 0 HA SER A 36 5.538 12.185 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.260 10.041 -6.125 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.387 11.255 -7.039 1.00 0.00 H new ATOM 0 HG SER A 36 6.672 11.288 -7.495 1.00 0.00 H new ATOM 585 N ILE A 37 2.389 12.479 -5.172 1.00 0.00 N ATOM 586 CA ILE A 37 1.311 13.427 -5.428 1.00 0.00 C ATOM 587 C ILE A 37 1.175 14.395 -4.257 1.00 0.00 C ATOM 588 O ILE A 37 0.928 15.586 -4.446 1.00 0.00 O ATOM 589 CB ILE A 37 -0.011 12.674 -5.670 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.625 13.141 -6.993 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.004 12.948 -4.535 1.00 0.00 C ATOM 592 CD1 ILE A 37 0.120 12.493 -8.161 1.00 0.00 C ATOM 0 H ILE A 37 2.080 11.537 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 37 1.548 14.001 -6.324 1.00 0.00 H new ATOM 0 HB ILE A 37 0.199 11.605 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.681 12.875 -7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.567 14.227 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.931 12.407 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.576 12.615 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.211 14.017 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.318 12.826 -9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.171 12.782 -8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.039 11.408 -8.087 1.00 0.00 H new ATOM 604 N TYR A 38 1.343 13.872 -3.047 1.00 0.00 N ATOM 605 CA TYR A 38 1.242 14.696 -1.847 1.00 0.00 C ATOM 606 C TYR A 38 2.153 15.914 -1.960 1.00 0.00 C ATOM 607 O TYR A 38 1.766 17.027 -1.603 1.00 0.00 O ATOM 608 CB TYR A 38 1.629 13.877 -0.615 1.00 0.00 C ATOM 609 CG TYR A 38 0.772 14.293 0.558 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.500 13.734 0.728 1.00 0.00 C ATOM 611 CD2 TYR A 38 1.251 15.238 1.473 1.00 0.00 C ATOM 612 CE1 TYR A 38 -1.294 14.120 1.816 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.456 15.624 2.560 1.00 0.00 C ATOM 614 CZ TYR A 38 -0.816 15.065 2.731 1.00 0.00 C ATOM 615 OH TYR A 38 -1.598 15.446 3.802 1.00 0.00 O ATOM 0 H TYR A 38 1.548 12.888 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 38 0.211 15.034 -1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.497 12.814 -0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.683 14.029 -0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.869 13.006 0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.232 15.669 1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.275 13.688 1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.825 16.353 3.266 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.116 16.108 4.340 1.00 0.00 H new ATOM 625 N LEU A 39 3.365 15.696 -2.461 1.00 0.00 N ATOM 626 CA LEU A 39 4.322 16.785 -2.618 1.00 0.00 C ATOM 627 C LEU A 39 3.646 18.001 -3.242 1.00 0.00 C ATOM 628 O LEU A 39 3.814 19.127 -2.772 1.00 0.00 O ATOM 629 CB LEU A 39 5.487 16.335 -3.503 1.00 0.00 C ATOM 630 CG LEU A 39 6.277 15.239 -2.787 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.472 14.825 -3.647 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.778 15.769 -1.441 1.00 0.00 C ATOM 0 H LEU A 39 3.705 14.783 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 39 4.701 17.057 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.111 15.964 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.137 17.181 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 39 5.632 14.376 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.035 14.044 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.117 14.448 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.117 15.688 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.341 14.989 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.422 16.632 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.927 16.064 -0.827 1.00 0.00 H new ATOM 644 N PHE A 40 2.877 17.766 -4.301 1.00 0.00 N ATOM 645 CA PHE A 40 2.176 18.850 -4.978 1.00 0.00 C ATOM 646 C PHE A 40 1.102 19.432 -4.065 1.00 0.00 C ATOM 647 O PHE A 40 0.764 20.611 -4.158 1.00 0.00 O ATOM 648 CB PHE A 40 1.531 18.330 -6.267 1.00 0.00 C ATOM 649 CG PHE A 40 2.197 18.967 -7.464 1.00 0.00 C ATOM 650 CD1 PHE A 40 2.087 20.346 -7.675 1.00 0.00 C ATOM 651 CD2 PHE A 40 2.922 18.178 -8.364 1.00 0.00 C ATOM 652 CE1 PHE A 40 2.703 20.937 -8.786 1.00 0.00 C ATOM 653 CE2 PHE A 40 3.539 18.767 -9.474 1.00 0.00 C ATOM 654 CZ PHE A 40 3.429 20.147 -9.685 1.00 0.00 C ATOM 0 H PHE A 40 2.725 16.842 -4.706 1.00 0.00 H new ATOM 0 HA PHE A 40 2.894 19.632 -5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.626 17.245 -6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.465 18.557 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.527 20.955 -6.981 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.006 17.113 -8.202 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.618 22.001 -8.949 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.100 18.157 -10.167 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.904 20.602 -10.541 1.00 0.00 H new ATOM 664 N LEU A 41 0.573 18.592 -3.179 1.00 0.00 N ATOM 665 CA LEU A 41 -0.459 19.028 -2.247 1.00 0.00 C ATOM 666 C LEU A 41 0.157 19.837 -1.116 1.00 0.00 C ATOM 667 O LEU A 41 -0.544 20.497 -0.348 1.00 0.00 O ATOM 668 CB LEU A 41 -1.198 17.814 -1.675 1.00 0.00 C ATOM 669 CG LEU A 41 -2.705 17.980 -1.882 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.398 16.633 -1.667 1.00 0.00 C ATOM 671 CD2 LEU A 41 -3.248 18.998 -0.877 1.00 0.00 C ATOM 0 H LEU A 41 0.841 17.612 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.169 19.657 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.853 16.903 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.977 17.709 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.897 18.332 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.472 16.749 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.010 15.906 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.206 16.283 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.322 19.117 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.057 18.646 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.753 19.957 -1.027 1.00 0.00 H new ATOM 683 N ARG A 42 1.475 19.778 -1.027 1.00 0.00 N ATOM 684 CA ARG A 42 2.202 20.505 0.007 1.00 0.00 C ATOM 685 C ARG A 42 2.530 21.916 -0.465 1.00 0.00 C ATOM 686 O ARG A 42 2.905 22.778 0.329 1.00 0.00 O ATOM 687 CB ARG A 42 3.495 19.765 0.355 1.00 0.00 C ATOM 688 CG ARG A 42 4.087 20.345 1.641 1.00 0.00 C ATOM 689 CD ARG A 42 5.609 20.422 1.511 1.00 0.00 C ATOM 690 NE ARG A 42 6.237 20.291 2.820 1.00 0.00 N ATOM 691 CZ ARG A 42 7.499 19.892 2.942 1.00 0.00 C ATOM 692 NH1 ARG A 42 8.197 19.600 1.877 1.00 0.00 N ATOM 693 NH2 ARG A 42 8.039 19.790 4.124 1.00 0.00 N ATOM 0 H ARG A 42 2.066 19.235 -1.657 1.00 0.00 H new ATOM 0 HA ARG A 42 1.572 20.568 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.294 18.701 0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.211 19.859 -0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.676 21.337 1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.815 19.722 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.964 19.632 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.894 21.371 1.057 1.00 0.00 H new ATOM 0 HE ARG A 42 5.698 20.510 3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.773 19.678 0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.165 19.294 1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.493 20.016 4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.007 19.484 4.218 1.00 0.00 H new ATOM 707 N LYS A 43 2.381 22.141 -1.763 1.00 0.00 N ATOM 708 CA LYS A 43 2.658 23.451 -2.340 1.00 0.00 C ATOM 709 C LYS A 43 1.355 24.184 -2.637 1.00 0.00 C ATOM 710 O LYS A 43 1.355 25.242 -3.267 1.00 0.00 O ATOM 711 CB LYS A 43 3.464 23.294 -3.631 1.00 0.00 C ATOM 712 CG LYS A 43 4.880 22.819 -3.296 1.00 0.00 C ATOM 713 CD LYS A 43 5.600 22.417 -4.586 1.00 0.00 C ATOM 714 CE LYS A 43 7.111 22.402 -4.346 1.00 0.00 C ATOM 715 NZ LYS A 43 7.788 21.735 -5.493 1.00 0.00 N ATOM 0 H LYS A 43 2.072 21.438 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 43 3.237 24.032 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.976 22.578 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.504 24.244 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.431 23.612 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.839 21.973 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.263 21.433 -4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.355 23.117 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.482 23.420 -4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.338 21.875 -3.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.815 21.724 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.441 20.759 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.581 22.256 -6.369 1.00 0.00 H new ATOM 729 N ARG A 44 0.247 23.612 -2.177 1.00 0.00 N ATOM 730 CA ARG A 44 -1.061 24.216 -2.396 1.00 0.00 C ATOM 731 C ARG A 44 -1.359 25.253 -1.319 1.00 0.00 C ATOM 732 O ARG A 44 -2.513 25.470 -0.954 1.00 0.00 O ATOM 733 CB ARG A 44 -2.142 23.134 -2.379 1.00 0.00 C ATOM 734 CG ARG A 44 -2.287 22.536 -3.779 1.00 0.00 C ATOM 735 CD ARG A 44 -3.492 21.594 -3.810 1.00 0.00 C ATOM 736 NE ARG A 44 -3.896 21.336 -5.188 1.00 0.00 N ATOM 737 CZ ARG A 44 -3.281 20.415 -5.922 1.00 0.00 C ATOM 738 NH1 ARG A 44 -2.299 19.724 -5.413 1.00 0.00 N ATOM 739 NH2 ARG A 44 -3.659 20.204 -7.154 1.00 0.00 N ATOM 0 H ARG A 44 0.229 22.737 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.056 24.710 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.880 22.354 -1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.092 23.559 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.414 23.331 -4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.381 21.994 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.242 20.656 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.321 22.035 -3.257 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.663 21.871 -5.595 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.003 19.891 -4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.827 19.017 -5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.426 20.746 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.187 19.497 -7.718 1.00 0.00 H new ATOM 753 N GLN A 45 -0.307 25.890 -0.813 1.00 0.00 N ATOM 754 CA GLN A 45 -0.468 26.903 0.224 1.00 0.00 C ATOM 755 C GLN A 45 -1.057 28.181 -0.365 1.00 0.00 C ATOM 756 O GLN A 45 -2.058 28.701 0.128 1.00 0.00 O ATOM 757 CB GLN A 45 0.887 27.208 0.870 1.00 0.00 C ATOM 758 CG GLN A 45 0.852 26.812 2.348 1.00 0.00 C ATOM 759 CD GLN A 45 2.273 26.708 2.894 1.00 0.00 C ATOM 760 OE1 GLN A 45 3.236 26.736 2.127 1.00 0.00 O ATOM 761 NE2 GLN A 45 2.462 26.591 4.180 1.00 0.00 N ATOM 0 H GLN A 45 0.657 25.725 -1.101 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.151 26.519 0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.678 26.662 0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.117 28.269 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.288 27.551 2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.338 25.858 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.662 26.568 4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.409 26.523 4.552 1.00 0.00 H new ATOM 770 N PRO A 46 -0.455 28.691 -1.407 1.00 0.00 N ATOM 771 CA PRO A 46 -0.923 29.935 -2.082 1.00 0.00 C ATOM 772 C PRO A 46 -2.434 29.936 -2.301 1.00 0.00 C ATOM 773 O PRO A 46 -3.032 28.894 -2.570 1.00 0.00 O ATOM 774 CB PRO A 46 -0.178 29.920 -3.416 1.00 0.00 C ATOM 775 CG PRO A 46 1.068 29.135 -3.165 1.00 0.00 C ATOM 776 CD PRO A 46 0.743 28.133 -2.055 1.00 0.00 C ATOM 0 HA PRO A 46 -0.724 30.826 -1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.782 29.460 -4.198 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.055 30.932 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.389 28.619 -4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.885 29.792 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.551 27.139 -2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.569 28.037 -1.350 1.00 0.00 H new ATOM 784 N ASP A 47 -3.045 31.111 -2.179 1.00 0.00 N ATOM 785 CA ASP A 47 -4.481 31.239 -2.359 1.00 0.00 C ATOM 786 C ASP A 47 -4.868 30.981 -3.806 1.00 0.00 C ATOM 787 O ASP A 47 -5.745 31.643 -4.360 1.00 0.00 O ATOM 788 CB ASP A 47 -4.952 32.630 -1.931 1.00 0.00 C ATOM 789 CG ASP A 47 -6.395 32.563 -1.443 1.00 0.00 C ATOM 790 OD1 ASP A 47 -7.264 32.299 -2.258 1.00 0.00 O ATOM 791 OD2 ASP A 47 -6.611 32.776 -0.261 1.00 0.00 O ATOM 0 H ASP A 47 -2.566 31.984 -1.957 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.969 30.493 -1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.309 33.013 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.874 33.323 -2.768 1.00 0.00 H new ATOM 796 N GLY A 48 -4.203 30.010 -4.403 1.00 0.00 N ATOM 797 CA GLY A 48 -4.467 29.648 -5.792 1.00 0.00 C ATOM 798 C GLY A 48 -3.743 30.590 -6.748 1.00 0.00 C ATOM 799 O GLY A 48 -3.098 31.549 -6.324 1.00 0.00 O ATOM 0 H GLY A 48 -3.475 29.455 -3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.144 28.623 -5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.539 29.683 -5.983 1.00 0.00 H new ATOM 803 N PRO A 49 -3.842 30.328 -8.022 1.00 0.00 N ATOM 804 CA PRO A 49 -3.187 31.163 -9.071 1.00 0.00 C ATOM 805 C PRO A 49 -3.510 32.646 -8.910 1.00 0.00 C ATOM 806 O PRO A 49 -4.574 33.108 -9.319 1.00 0.00 O ATOM 807 CB PRO A 49 -3.759 30.621 -10.385 1.00 0.00 C ATOM 808 CG PRO A 49 -4.215 29.231 -10.081 1.00 0.00 C ATOM 809 CD PRO A 49 -4.592 29.204 -8.601 1.00 0.00 C ATOM 0 HA PRO A 49 -2.100 31.101 -9.019 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.587 31.237 -10.736 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.004 30.623 -11.171 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.068 28.960 -10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.425 28.510 -10.292 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.666 29.326 -8.460 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.315 28.258 -8.136 1.00 0.00 H new ATOM 817 N LEU A 50 -2.583 33.387 -8.309 1.00 0.00 N ATOM 818 CA LEU A 50 -2.779 34.816 -8.098 1.00 0.00 C ATOM 819 C LEU A 50 -1.481 35.576 -8.347 1.00 0.00 C ATOM 820 O LEU A 50 -0.397 35.103 -8.001 1.00 0.00 O ATOM 821 CB LEU A 50 -3.258 35.073 -6.668 1.00 0.00 C ATOM 822 CG LEU A 50 -4.766 35.328 -6.671 1.00 0.00 C ATOM 823 CD1 LEU A 50 -5.357 34.926 -5.319 1.00 0.00 C ATOM 824 CD2 LEU A 50 -5.029 36.816 -6.919 1.00 0.00 C ATOM 0 H LEU A 50 -1.695 33.024 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.534 35.168 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.025 34.216 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.735 35.931 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.232 34.737 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.432 35.108 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.169 33.867 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.892 35.515 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.103 37.000 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.562 37.405 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.609 37.104 -7.883 1.00 0.00 H new ATOM 836 N GLU A 51 -1.596 36.755 -8.949 1.00 0.00 N ATOM 837 CA GLU A 51 -0.423 37.571 -9.240 1.00 0.00 C ATOM 838 C GLU A 51 0.162 38.148 -7.954 1.00 0.00 C ATOM 839 O GLU A 51 -0.550 38.337 -6.967 1.00 0.00 O ATOM 840 CB GLU A 51 -0.801 38.710 -10.189 1.00 0.00 C ATOM 841 CG GLU A 51 -2.106 39.356 -9.718 1.00 0.00 C ATOM 842 CD GLU A 51 -3.254 38.931 -10.627 1.00 0.00 C ATOM 843 OE1 GLU A 51 -3.167 37.856 -11.196 1.00 0.00 O ATOM 844 OE2 GLU A 51 -4.204 39.688 -10.740 1.00 0.00 O ATOM 0 H GLU A 51 -2.483 37.165 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 51 0.328 36.939 -9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.004 39.453 -10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.917 38.329 -11.204 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.317 39.062 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.008 40.442 -9.725 1.00 0.00 H new ATOM 851 N HIS A 52 1.461 38.427 -7.974 1.00 0.00 N ATOM 852 CA HIS A 52 2.132 38.981 -6.805 1.00 0.00 C ATOM 853 C HIS A 52 2.069 40.504 -6.818 1.00 0.00 C ATOM 854 O HIS A 52 2.411 41.141 -7.815 1.00 0.00 O ATOM 855 CB HIS A 52 3.594 38.532 -6.779 1.00 0.00 C ATOM 856 CG HIS A 52 4.327 39.277 -5.698 1.00 0.00 C ATOM 857 ND1 HIS A 52 4.333 38.848 -4.379 1.00 0.00 N ATOM 858 CD2 HIS A 52 5.080 40.424 -5.722 1.00 0.00 C ATOM 859 CE1 HIS A 52 5.067 39.726 -3.671 1.00 0.00 C ATOM 860 NE2 HIS A 52 5.547 40.706 -4.441 1.00 0.00 N ATOM 0 H HIS A 52 2.066 38.280 -8.782 1.00 0.00 H new ATOM 0 HA HIS A 52 1.622 38.616 -5.914 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.653 37.458 -6.600 1.00 0.00 H new ATOM 0 HB3 HIS A 52 4.061 38.720 -7.746 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.280 41.018 -6.601 1.00 0.00 H new ATOM 0 HE1 HIS A 52 5.246 39.648 -2.609 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.130 41.492 -4.153 1.00 0.00 H new ATOM 869 N HIS A 53 1.631 41.081 -5.704 1.00 0.00 N ATOM 870 CA HIS A 53 1.529 42.531 -5.594 1.00 0.00 C ATOM 871 C HIS A 53 1.368 42.944 -4.136 1.00 0.00 C ATOM 872 O HIS A 53 2.216 42.638 -3.297 1.00 0.00 O ATOM 873 CB HIS A 53 0.334 43.038 -6.405 1.00 0.00 C ATOM 874 CG HIS A 53 0.454 44.524 -6.597 1.00 0.00 C ATOM 875 ND1 HIS A 53 1.214 45.319 -5.752 1.00 0.00 N ATOM 876 CD2 HIS A 53 -0.081 45.376 -7.532 1.00 0.00 C ATOM 877 CE1 HIS A 53 1.115 46.587 -6.192 1.00 0.00 C ATOM 878 NE2 HIS A 53 0.338 46.677 -7.274 1.00 0.00 N ATOM 0 H HIS A 53 1.343 40.570 -4.869 1.00 0.00 H new ATOM 0 HA HIS A 53 2.445 42.971 -5.988 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.298 42.537 -7.372 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.596 42.801 -5.889 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.729 45.081 -8.344 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.605 47.430 -5.726 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.102 47.519 -7.799 1.00 0.00 H new ATOM 887 N HIS A 54 0.276 43.639 -3.838 1.00 0.00 N ATOM 888 CA HIS A 54 0.018 44.086 -2.473 1.00 0.00 C ATOM 889 C HIS A 54 1.328 44.356 -1.743 1.00 0.00 C ATOM 890 O HIS A 54 1.560 43.836 -0.650 1.00 0.00 O ATOM 891 CB HIS A 54 -0.778 43.020 -1.718 1.00 0.00 C ATOM 892 CG HIS A 54 -2.067 42.745 -2.442 1.00 0.00 C ATOM 893 ND1 HIS A 54 -2.529 41.457 -2.663 1.00 0.00 N ATOM 894 CD2 HIS A 54 -3.004 43.580 -3.000 1.00 0.00 C ATOM 895 CE1 HIS A 54 -3.696 41.553 -3.326 1.00 0.00 C ATOM 896 NE2 HIS A 54 -4.031 42.825 -3.556 1.00 0.00 N ATOM 0 H HIS A 54 -0.439 43.904 -4.516 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.559 45.010 -2.515 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -0.192 42.104 -1.637 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.985 43.357 -0.702 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.951 44.659 -3.006 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.289 40.705 -3.634 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -4.862 43.169 -4.037 1.00 0.00 H new ATOM 905 N HIS A 55 2.183 45.170 -2.352 1.00 0.00 N ATOM 906 CA HIS A 55 3.469 45.501 -1.751 1.00 0.00 C ATOM 907 C HIS A 55 3.284 45.979 -0.314 1.00 0.00 C ATOM 908 O HIS A 55 3.892 45.442 0.611 1.00 0.00 O ATOM 909 CB HIS A 55 4.163 46.591 -2.567 1.00 0.00 C ATOM 910 CG HIS A 55 5.626 46.624 -2.218 1.00 0.00 C ATOM 911 ND1 HIS A 55 6.282 46.632 -1.011 1.00 0.00 N flip ATOM 912 CD2 HIS A 55 6.617 46.653 -3.187 1.00 0.00 C flip ATOM 913 CE1 HIS A 55 7.656 46.666 -1.225 1.00 0.00 C flip ATOM 914 NE2 HIS A 55 7.804 46.678 -2.552 1.00 0.00 N flip ATOM 0 H HIS A 55 2.010 45.610 -3.256 1.00 0.00 H new ATOM 0 HA HIS A 55 4.086 44.603 -1.746 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.037 46.399 -3.632 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.707 47.560 -2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.465 46.655 -4.256 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.436 46.680 -0.478 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.706 46.703 -3.027 1.00 0.00 H new ATOM 923 N HIS A 56 2.439 46.993 -0.138 1.00 0.00 N ATOM 924 CA HIS A 56 2.176 47.542 1.189 1.00 0.00 C ATOM 925 C HIS A 56 1.862 49.031 1.092 1.00 0.00 C ATOM 926 O HIS A 56 1.524 49.671 2.088 1.00 0.00 O ATOM 927 CB HIS A 56 3.391 47.329 2.098 1.00 0.00 C ATOM 928 CG HIS A 56 3.392 48.363 3.192 1.00 0.00 C ATOM 929 ND1 HIS A 56 4.111 49.544 3.092 1.00 0.00 N ATOM 930 CD2 HIS A 56 2.769 48.406 4.415 1.00 0.00 C ATOM 931 CE1 HIS A 56 3.904 50.241 4.224 1.00 0.00 C ATOM 932 NE2 HIS A 56 3.093 49.593 5.064 1.00 0.00 N ATOM 0 H HIS A 56 1.928 47.449 -0.894 1.00 0.00 H new ATOM 0 HA HIS A 56 1.316 47.025 1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 56 3.364 46.329 2.530 1.00 0.00 H new ATOM 0 HB3 HIS A 56 4.310 47.400 1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.125 47.635 4.813 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.341 51.207 4.429 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.779 49.902 5.984 1.00 0.00 H new ATOM 941 N HIS A 57 1.975 49.577 -0.115 1.00 0.00 N ATOM 942 CA HIS A 57 1.702 50.993 -0.332 1.00 0.00 C ATOM 943 C HIS A 57 0.210 51.224 -0.554 1.00 0.00 C ATOM 944 O HIS A 57 -0.614 50.874 0.291 1.00 0.00 O ATOM 945 CB HIS A 57 2.484 51.494 -1.547 1.00 0.00 C ATOM 946 CG HIS A 57 2.554 52.996 -1.513 1.00 0.00 C ATOM 947 ND1 HIS A 57 2.803 53.698 -0.344 1.00 0.00 N ATOM 948 CD2 HIS A 57 2.411 53.944 -2.495 1.00 0.00 C ATOM 949 CE1 HIS A 57 2.802 55.008 -0.649 1.00 0.00 C ATOM 950 NE2 HIS A 57 2.567 55.214 -1.948 1.00 0.00 N ATOM 0 H HIS A 57 2.252 49.064 -0.952 1.00 0.00 H new ATOM 0 HA HIS A 57 2.015 51.544 0.555 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.489 51.072 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.001 51.162 -2.466 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.208 53.736 -3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.971 55.797 0.069 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.513 56.109 -2.434 1.00 0.00 H new TER 959 HIS A 57