USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 430 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 41 SER OG : rot -149:sc= 0.788 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0.815 USER MOD Set 2.1: A 25 LYS NZ :NH3+ -154:sc= 0.00149 (180deg=0) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 2 THR OG1 : rot 31:sc= 0.698 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -5:sc= -0.99 USER MOD Single : A 19 SER OG : rot 133:sc= -0.103 USER MOD Single : A 21 HIS : no HD1:sc= -0.0054 K(o=-0.0054,f=-4.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0846 X(o=-0.085,f=0) USER MOD Single : A 31 SER OG : rot 11:sc= 0.902 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 33:sc= 0.379 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 -10.749 8.246 4.651 1.00 0.00 N ATOM 18 CA THR A 2 -9.315 8.464 4.585 1.00 0.00 C ATOM 19 C THR A 2 -8.628 7.288 3.888 1.00 0.00 C ATOM 20 O THR A 2 -7.498 6.934 4.226 1.00 0.00 O ATOM 21 CB THR A 2 -8.808 8.707 6.009 1.00 0.00 C ATOM 22 OG1 THR A 2 -9.768 9.596 6.572 1.00 0.00 O ATOM 23 CG2 THR A 2 -7.501 9.503 6.036 1.00 0.00 C ATOM 0 HA THR A 2 -9.075 9.342 3.985 1.00 0.00 H new ATOM 0 HB THR A 2 -8.661 7.751 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.646 9.425 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.185 9.648 7.069 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.730 8.955 5.494 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.656 10.473 5.564 1.00 0.00 H new ATOM 31 N LEU A 3 -9.338 6.712 2.930 1.00 0.00 N ATOM 32 CA LEU A 3 -8.811 5.583 2.182 1.00 0.00 C ATOM 33 C LEU A 3 -8.884 5.889 0.685 1.00 0.00 C ATOM 34 O LEU A 3 -9.914 6.347 0.191 1.00 0.00 O ATOM 35 CB LEU A 3 -9.530 4.293 2.582 1.00 0.00 C ATOM 36 CG LEU A 3 -11.020 4.223 2.241 1.00 0.00 C ATOM 37 CD1 LEU A 3 -11.376 2.868 1.622 1.00 0.00 C ATOM 38 CD2 LEU A 3 -11.880 4.536 3.466 1.00 0.00 C ATOM 0 H LEU A 3 -10.275 7.006 2.654 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.760 5.423 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.027 3.455 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.417 4.156 3.657 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.236 4.987 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.440 2.843 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.800 2.723 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.141 2.072 2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.934 4.479 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.668 3.813 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.651 5.540 3.824 1.00 0.00 H new ATOM 50 N PHE A 4 -7.780 5.624 0.004 1.00 0.00 N ATOM 51 CA PHE A 4 -7.706 5.866 -1.427 1.00 0.00 C ATOM 52 C PHE A 4 -7.503 4.557 -2.194 1.00 0.00 C ATOM 53 O PHE A 4 -7.811 3.481 -1.684 1.00 0.00 O ATOM 54 CB PHE A 4 -6.499 6.775 -1.666 1.00 0.00 C ATOM 55 CG PHE A 4 -5.925 7.396 -0.390 1.00 0.00 C ATOM 56 CD1 PHE A 4 -6.498 8.508 0.142 1.00 0.00 C ATOM 57 CD2 PHE A 4 -4.842 6.834 0.211 1.00 0.00 C ATOM 58 CE1 PHE A 4 -5.965 9.084 1.326 1.00 0.00 C ATOM 59 CE2 PHE A 4 -4.310 7.410 1.395 1.00 0.00 C ATOM 60 CZ PHE A 4 -4.882 8.523 1.927 1.00 0.00 C ATOM 0 H PHE A 4 -6.928 5.244 0.417 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.633 6.321 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.717 6.200 -2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.788 7.574 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.358 8.953 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.387 5.950 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.420 9.968 1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.451 6.964 1.873 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.476 8.961 2.827 1.00 0.00 H new ATOM 70 N VAL A 5 -6.986 4.693 -3.405 1.00 0.00 N ATOM 71 CA VAL A 5 -6.737 3.535 -4.247 1.00 0.00 C ATOM 72 C VAL A 5 -5.636 3.869 -5.255 1.00 0.00 C ATOM 73 O VAL A 5 -5.581 4.982 -5.775 1.00 0.00 O ATOM 74 CB VAL A 5 -8.039 3.084 -4.914 1.00 0.00 C ATOM 75 CG1 VAL A 5 -8.729 4.254 -5.619 1.00 0.00 C ATOM 76 CG2 VAL A 5 -7.787 1.930 -5.885 1.00 0.00 C ATOM 0 H VAL A 5 -6.732 5.588 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.385 2.696 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.708 2.723 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.651 3.906 -6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.961 5.032 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.067 4.659 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.728 1.629 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.091 2.252 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.362 1.085 -5.343 1.00 0.00 H new ATOM 86 N ALA A 6 -4.784 2.883 -5.500 1.00 0.00 N ATOM 87 CA ALA A 6 -3.687 3.059 -6.436 1.00 0.00 C ATOM 88 C ALA A 6 -4.090 2.495 -7.800 1.00 0.00 C ATOM 89 O ALA A 6 -5.079 1.772 -7.909 1.00 0.00 O ATOM 90 CB ALA A 6 -2.428 2.389 -5.878 1.00 0.00 C ATOM 0 H ALA A 6 -4.832 1.961 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.463 4.117 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.604 2.521 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.167 2.844 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.615 1.325 -5.734 1.00 0.00 H new ATOM 96 N LEU A 7 -3.304 2.850 -8.807 1.00 0.00 N ATOM 97 CA LEU A 7 -3.568 2.389 -10.159 1.00 0.00 C ATOM 98 C LEU A 7 -2.241 2.063 -10.849 1.00 0.00 C ATOM 99 O LEU A 7 -2.023 2.452 -11.996 1.00 0.00 O ATOM 100 CB LEU A 7 -4.420 3.409 -10.916 1.00 0.00 C ATOM 101 CG LEU A 7 -5.513 2.831 -11.819 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.902 3.250 -11.335 1.00 0.00 C ATOM 103 CD2 LEU A 7 -5.275 3.215 -13.281 1.00 0.00 C ATOM 0 H LEU A 7 -2.485 3.451 -8.713 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.154 1.470 -10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.890 4.072 -10.189 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.759 4.023 -11.527 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.466 1.744 -11.760 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.660 2.826 -11.994 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.059 2.886 -10.320 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.979 4.337 -11.346 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.065 2.792 -13.902 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.280 4.301 -13.377 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.310 2.826 -13.607 1.00 0.00 H new ATOM 115 N TYR A 8 -1.392 1.352 -10.123 1.00 0.00 N ATOM 116 CA TYR A 8 -0.093 0.970 -10.650 1.00 0.00 C ATOM 117 C TYR A 8 0.346 -0.387 -10.096 1.00 0.00 C ATOM 118 O TYR A 8 0.331 -0.601 -8.885 1.00 0.00 O ATOM 119 CB TYR A 8 0.888 2.043 -10.176 1.00 0.00 C ATOM 120 CG TYR A 8 1.470 2.896 -11.305 1.00 0.00 C ATOM 121 CD1 TYR A 8 2.118 2.292 -12.363 1.00 0.00 C ATOM 122 CD2 TYR A 8 1.348 4.270 -11.264 1.00 0.00 C ATOM 123 CE1 TYR A 8 2.666 3.096 -13.424 1.00 0.00 C ATOM 124 CE2 TYR A 8 1.897 5.073 -12.325 1.00 0.00 C ATOM 125 CZ TYR A 8 2.529 4.446 -13.353 1.00 0.00 C ATOM 126 OH TYR A 8 3.046 5.205 -14.356 1.00 0.00 O ATOM 0 H TYR A 8 -1.578 1.030 -9.173 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.129 0.888 -11.736 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.381 2.696 -9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.706 1.562 -9.639 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.214 1.217 -12.395 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.841 4.743 -10.436 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.175 2.636 -14.258 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.809 6.149 -12.305 1.00 0.00 H new ATOM 0 HH TYR A 8 2.872 6.152 -14.172 1.00 0.00 H new ATOM 136 N ASP A 9 0.725 -1.269 -11.010 1.00 0.00 N ATOM 137 CA ASP A 9 1.168 -2.600 -10.627 1.00 0.00 C ATOM 138 C ASP A 9 2.684 -2.590 -10.427 1.00 0.00 C ATOM 139 O ASP A 9 3.411 -1.956 -11.189 1.00 0.00 O ATOM 140 CB ASP A 9 0.842 -3.623 -11.716 1.00 0.00 C ATOM 141 CG ASP A 9 0.811 -5.079 -11.248 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.789 -5.823 -11.413 1.00 0.00 O ATOM 143 OD2 ASP A 9 -0.289 -5.448 -10.685 1.00 0.00 O ATOM 0 H ASP A 9 0.735 -1.088 -12.014 1.00 0.00 H new ATOM 0 HA ASP A 9 0.652 -2.875 -9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.128 -3.375 -12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.579 -3.529 -12.514 1.00 0.00 H new ATOM 149 N TYR A 10 3.117 -3.300 -9.395 1.00 0.00 N ATOM 150 CA TYR A 10 4.534 -3.382 -9.084 1.00 0.00 C ATOM 151 C TYR A 10 5.043 -4.819 -9.212 1.00 0.00 C ATOM 152 O TYR A 10 4.351 -5.679 -9.754 1.00 0.00 O ATOM 153 CB TYR A 10 4.673 -2.931 -7.629 1.00 0.00 C ATOM 154 CG TYR A 10 5.503 -1.660 -7.446 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.766 -1.576 -7.996 1.00 0.00 C ATOM 156 CD2 TYR A 10 4.990 -0.596 -6.732 1.00 0.00 C ATOM 157 CE1 TYR A 10 7.548 -0.379 -7.824 1.00 0.00 C ATOM 158 CE2 TYR A 10 5.771 0.601 -6.560 1.00 0.00 C ATOM 159 CZ TYR A 10 7.012 0.650 -7.115 1.00 0.00 C ATOM 160 OH TYR A 10 7.750 1.780 -6.953 1.00 0.00 O ATOM 0 H TYR A 10 2.511 -3.824 -8.764 1.00 0.00 H new ATOM 0 HA TYR A 10 5.113 -2.764 -9.770 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.679 -2.765 -7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.129 -3.736 -7.052 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.168 -2.408 -8.555 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.002 -0.662 -6.302 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.538 -0.300 -8.249 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.381 1.440 -6.003 1.00 0.00 H new ATOM 0 HH TYR A 10 7.240 2.431 -6.427 1.00 0.00 H new ATOM 170 N GLU A 11 6.246 -5.034 -8.704 1.00 0.00 N ATOM 171 CA GLU A 11 6.855 -6.353 -8.755 1.00 0.00 C ATOM 172 C GLU A 11 8.034 -6.431 -7.782 1.00 0.00 C ATOM 173 O GLU A 11 8.866 -5.526 -7.734 1.00 0.00 O ATOM 174 CB GLU A 11 7.296 -6.698 -10.179 1.00 0.00 C ATOM 175 CG GLU A 11 7.270 -8.210 -10.408 1.00 0.00 C ATOM 176 CD GLU A 11 6.267 -8.582 -11.504 1.00 0.00 C ATOM 177 OE1 GLU A 11 6.608 -9.336 -12.427 1.00 0.00 O ATOM 178 OE2 GLU A 11 5.096 -8.056 -11.372 1.00 0.00 O ATOM 0 H GLU A 11 6.817 -4.318 -8.255 1.00 0.00 H new ATOM 0 HA GLU A 11 6.110 -7.088 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.639 -6.206 -10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.302 -6.317 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.265 -8.556 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.005 -8.717 -9.480 1.00 0.00 H new ATOM 186 N ALA A 12 8.067 -7.522 -7.031 1.00 0.00 N ATOM 187 CA ALA A 12 9.130 -7.730 -6.061 1.00 0.00 C ATOM 188 C ALA A 12 9.409 -9.229 -5.932 1.00 0.00 C ATOM 189 O ALA A 12 8.591 -10.053 -6.336 1.00 0.00 O ATOM 190 CB ALA A 12 8.736 -7.093 -4.727 1.00 0.00 C ATOM 0 H ALA A 12 7.376 -8.271 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 12 10.051 -7.250 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.533 -7.249 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.577 -6.024 -4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.817 -7.552 -4.362 1.00 0.00 H new ATOM 196 N ARG A 13 10.568 -9.535 -5.368 1.00 0.00 N ATOM 197 CA ARG A 13 10.966 -10.920 -5.180 1.00 0.00 C ATOM 198 C ARG A 13 11.672 -11.092 -3.833 1.00 0.00 C ATOM 199 O ARG A 13 12.714 -11.740 -3.754 1.00 0.00 O ATOM 200 CB ARG A 13 11.901 -11.382 -6.301 1.00 0.00 C ATOM 201 CG ARG A 13 11.368 -12.649 -6.972 1.00 0.00 C ATOM 202 CD ARG A 13 11.138 -12.422 -8.468 1.00 0.00 C ATOM 203 NE ARG A 13 9.879 -11.674 -8.678 1.00 0.00 N ATOM 204 CZ ARG A 13 8.787 -12.187 -9.284 1.00 0.00 C ATOM 205 NH1 ARG A 13 8.790 -13.456 -9.744 1.00 0.00 N ATOM 206 NH2 ARG A 13 7.715 -11.428 -9.419 1.00 0.00 N ATOM 0 H ARG A 13 11.244 -8.848 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 13 10.063 -11.530 -5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.005 -10.590 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.895 -11.571 -5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.076 -13.466 -6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.434 -12.950 -6.498 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.975 -11.868 -8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.093 -13.379 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 13 9.833 -10.711 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.622 -14.036 -9.635 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.960 -13.835 -10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.721 -10.470 -9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.881 -11.799 -9.874 1.00 0.00 H new ATOM 219 N THR A 14 11.075 -10.500 -2.809 1.00 0.00 N ATOM 220 CA THR A 14 11.634 -10.580 -1.470 1.00 0.00 C ATOM 221 C THR A 14 11.035 -11.765 -0.712 1.00 0.00 C ATOM 222 O THR A 14 10.124 -12.428 -1.208 1.00 0.00 O ATOM 223 CB THR A 14 11.399 -9.235 -0.780 1.00 0.00 C ATOM 224 OG1 THR A 14 9.982 -9.154 -0.651 1.00 0.00 O ATOM 225 CG2 THR A 14 11.760 -8.047 -1.672 1.00 0.00 C ATOM 0 H THR A 14 10.210 -9.963 -2.879 1.00 0.00 H new ATOM 0 HA THR A 14 12.708 -10.764 -1.499 1.00 0.00 H new ATOM 0 HB THR A 14 11.986 -9.191 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.568 -9.916 -1.107 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.574 -7.118 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.814 -8.104 -1.945 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.150 -8.071 -2.575 1.00 0.00 H new ATOM 233 N GLU A 15 11.569 -11.998 0.478 1.00 0.00 N ATOM 234 CA GLU A 15 11.098 -13.093 1.309 1.00 0.00 C ATOM 235 C GLU A 15 10.192 -12.562 2.422 1.00 0.00 C ATOM 236 O GLU A 15 9.855 -13.291 3.353 1.00 0.00 O ATOM 237 CB GLU A 15 12.272 -13.884 1.889 1.00 0.00 C ATOM 238 CG GLU A 15 12.326 -15.295 1.299 1.00 0.00 C ATOM 239 CD GLU A 15 13.551 -16.057 1.812 1.00 0.00 C ATOM 240 OE1 GLU A 15 14.564 -16.150 1.104 1.00 0.00 O ATOM 241 OE2 GLU A 15 13.422 -16.563 2.991 1.00 0.00 O ATOM 0 H GLU A 15 12.324 -11.447 0.887 1.00 0.00 H new ATOM 0 HA GLU A 15 10.516 -13.773 0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.206 -13.362 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.176 -13.943 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.419 -15.838 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.358 -15.237 0.211 1.00 0.00 H new ATOM 249 N ASP A 16 9.824 -11.296 2.288 1.00 0.00 N ATOM 250 CA ASP A 16 8.964 -10.659 3.271 1.00 0.00 C ATOM 251 C ASP A 16 7.779 -10.005 2.557 1.00 0.00 C ATOM 252 O ASP A 16 6.662 -10.518 2.602 1.00 0.00 O ATOM 253 CB ASP A 16 9.714 -9.569 4.037 1.00 0.00 C ATOM 254 CG ASP A 16 9.304 -9.408 5.502 1.00 0.00 C ATOM 255 OD1 ASP A 16 9.609 -8.391 6.143 1.00 0.00 O ATOM 256 OD2 ASP A 16 8.632 -10.394 5.991 1.00 0.00 O ATOM 0 H ASP A 16 10.106 -10.695 1.514 1.00 0.00 H new ATOM 0 HA ASP A 16 8.628 -11.424 3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.781 -9.786 3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.563 -8.618 3.527 1.00 0.00 H new ATOM 262 N ASP A 17 8.063 -8.882 1.914 1.00 0.00 N ATOM 263 CA ASP A 17 7.036 -8.153 1.192 1.00 0.00 C ATOM 264 C ASP A 17 6.796 -8.823 -0.162 1.00 0.00 C ATOM 265 O ASP A 17 7.577 -9.673 -0.585 1.00 0.00 O ATOM 266 CB ASP A 17 7.465 -6.707 0.933 1.00 0.00 C ATOM 267 CG ASP A 17 8.928 -6.531 0.520 1.00 0.00 C ATOM 268 OD1 ASP A 17 9.846 -6.996 1.210 1.00 0.00 O ATOM 269 OD2 ASP A 17 9.109 -5.875 -0.576 1.00 0.00 O ATOM 0 H ASP A 17 8.991 -8.459 1.878 1.00 0.00 H new ATOM 0 HA ASP A 17 6.131 -8.158 1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.830 -6.290 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.285 -6.123 1.836 1.00 0.00 H new ATOM 275 N LEU A 18 5.711 -8.415 -0.806 1.00 0.00 N ATOM 276 CA LEU A 18 5.359 -8.967 -2.103 1.00 0.00 C ATOM 277 C LEU A 18 4.879 -7.838 -3.018 1.00 0.00 C ATOM 278 O LEU A 18 5.352 -6.707 -2.915 1.00 0.00 O ATOM 279 CB LEU A 18 4.347 -10.103 -1.945 1.00 0.00 C ATOM 280 CG LEU A 18 4.931 -11.485 -1.644 1.00 0.00 C ATOM 281 CD1 LEU A 18 4.979 -11.744 -0.138 1.00 0.00 C ATOM 282 CD2 LEU A 18 4.164 -12.579 -2.390 1.00 0.00 C ATOM 0 H LEU A 18 5.065 -7.709 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 18 6.233 -9.414 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.657 -9.840 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.760 -10.170 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 18 5.959 -11.508 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.398 -12.733 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.603 -10.990 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.970 -11.695 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.599 -13.551 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.119 -12.566 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.226 -12.400 -3.463 1.00 0.00 H new ATOM 294 N SER A 19 3.946 -8.186 -3.892 1.00 0.00 N ATOM 295 CA SER A 19 3.398 -7.216 -4.825 1.00 0.00 C ATOM 296 C SER A 19 1.954 -6.882 -4.443 1.00 0.00 C ATOM 297 O SER A 19 1.403 -7.465 -3.510 1.00 0.00 O ATOM 298 CB SER A 19 3.458 -7.738 -6.262 1.00 0.00 C ATOM 299 OG SER A 19 2.962 -6.785 -7.198 1.00 0.00 O ATOM 0 H SER A 19 3.556 -9.125 -3.974 1.00 0.00 H new ATOM 0 HA SER A 19 4.002 -6.310 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.488 -7.990 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.877 -8.657 -6.338 1.00 0.00 H new ATOM 0 HG SER A 19 3.588 -6.707 -7.948 1.00 0.00 H new ATOM 305 N PHE A 20 1.382 -5.943 -5.183 1.00 0.00 N ATOM 306 CA PHE A 20 0.014 -5.523 -4.933 1.00 0.00 C ATOM 307 C PHE A 20 -0.719 -5.233 -6.245 1.00 0.00 C ATOM 308 O PHE A 20 -0.106 -4.798 -7.219 1.00 0.00 O ATOM 309 CB PHE A 20 0.083 -4.237 -4.106 1.00 0.00 C ATOM 310 CG PHE A 20 -0.797 -4.253 -2.856 1.00 0.00 C ATOM 311 CD1 PHE A 20 -2.085 -3.821 -2.926 1.00 0.00 C ATOM 312 CD2 PHE A 20 -0.293 -4.698 -1.675 1.00 0.00 C ATOM 313 CE1 PHE A 20 -2.903 -3.835 -1.764 1.00 0.00 C ATOM 314 CE2 PHE A 20 -1.110 -4.713 -0.513 1.00 0.00 C ATOM 315 CZ PHE A 20 -2.398 -4.281 -0.583 1.00 0.00 C ATOM 0 H PHE A 20 1.841 -5.461 -5.956 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.527 -6.312 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.117 -4.064 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.212 -3.397 -4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.486 -3.467 -3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.730 -5.041 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.925 -3.491 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.709 -5.067 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.020 -4.292 0.300 1.00 0.00 H new ATOM 325 N HIS A 21 -2.019 -5.486 -6.228 1.00 0.00 N ATOM 326 CA HIS A 21 -2.841 -5.258 -7.403 1.00 0.00 C ATOM 327 C HIS A 21 -3.738 -4.040 -7.174 1.00 0.00 C ATOM 328 O HIS A 21 -4.187 -3.796 -6.054 1.00 0.00 O ATOM 329 CB HIS A 21 -3.633 -6.517 -7.766 1.00 0.00 C ATOM 330 CG HIS A 21 -3.968 -6.629 -9.233 1.00 0.00 C ATOM 331 ND1 HIS A 21 -3.782 -5.589 -10.128 1.00 0.00 N ATOM 332 CD2 HIS A 21 -4.478 -7.669 -9.955 1.00 0.00 C ATOM 333 CE1 HIS A 21 -4.167 -5.996 -11.328 1.00 0.00 C ATOM 334 NE2 HIS A 21 -4.599 -7.285 -11.218 1.00 0.00 N ATOM 0 H HIS A 21 -2.523 -5.847 -5.418 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.203 -5.041 -8.260 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.059 -7.394 -7.467 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -4.558 -6.530 -7.190 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -4.739 -8.641 -9.563 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.143 -5.410 -12.235 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.956 -7.859 -11.982 1.00 0.00 H new ATOM 342 N LYS A 22 -3.973 -3.307 -8.252 1.00 0.00 N ATOM 343 CA LYS A 22 -4.809 -2.121 -8.183 1.00 0.00 C ATOM 344 C LYS A 22 -6.279 -2.540 -8.106 1.00 0.00 C ATOM 345 O LYS A 22 -6.635 -3.644 -8.516 1.00 0.00 O ATOM 346 CB LYS A 22 -4.499 -1.178 -9.346 1.00 0.00 C ATOM 347 CG LYS A 22 -4.280 -1.960 -10.643 1.00 0.00 C ATOM 348 CD LYS A 22 -5.237 -1.486 -11.738 1.00 0.00 C ATOM 349 CE LYS A 22 -4.470 -0.843 -12.897 1.00 0.00 C ATOM 350 NZ LYS A 22 -4.140 -1.856 -13.924 1.00 0.00 N ATOM 0 H LYS A 22 -3.599 -3.512 -9.179 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.591 -1.555 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.320 -0.473 -9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.609 -0.592 -9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.250 -1.836 -10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.430 -3.024 -10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.820 -2.330 -12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.944 -0.768 -11.322 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.069 -0.048 -13.341 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.555 -0.382 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.620 -1.404 -14.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.550 -2.601 -13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.017 -2.276 -14.291 1.00 0.00 H new ATOM 363 N GLY A 23 -7.093 -1.637 -7.579 1.00 0.00 N ATOM 364 CA GLY A 23 -8.515 -1.899 -7.444 1.00 0.00 C ATOM 365 C GLY A 23 -8.875 -2.234 -5.995 1.00 0.00 C ATOM 366 O GLY A 23 -10.041 -2.473 -5.681 1.00 0.00 O ATOM 0 H GLY A 23 -6.794 -0.722 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.082 -1.027 -7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.799 -2.727 -8.094 1.00 0.00 H new ATOM 370 N GLU A 24 -7.855 -2.241 -5.151 1.00 0.00 N ATOM 371 CA GLU A 24 -8.049 -2.542 -3.743 1.00 0.00 C ATOM 372 C GLU A 24 -8.151 -1.248 -2.933 1.00 0.00 C ATOM 373 O GLU A 24 -8.398 -0.180 -3.491 1.00 0.00 O ATOM 374 CB GLU A 24 -6.925 -3.434 -3.213 1.00 0.00 C ATOM 375 CG GLU A 24 -7.087 -4.873 -3.707 1.00 0.00 C ATOM 376 CD GLU A 24 -6.679 -5.873 -2.624 1.00 0.00 C ATOM 377 OE1 GLU A 24 -7.522 -6.289 -1.814 1.00 0.00 O ATOM 378 OE2 GLU A 24 -5.436 -6.220 -2.641 1.00 0.00 O ATOM 0 H GLU A 24 -6.890 -2.043 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.985 -3.090 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.961 -3.041 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.926 -3.418 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.123 -5.048 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.477 -5.027 -4.597 1.00 0.00 H new ATOM 386 N LYS A 25 -7.958 -1.388 -1.629 1.00 0.00 N ATOM 387 CA LYS A 25 -8.027 -0.243 -0.737 1.00 0.00 C ATOM 388 C LYS A 25 -6.625 0.069 -0.207 1.00 0.00 C ATOM 389 O LYS A 25 -5.669 -0.643 -0.513 1.00 0.00 O ATOM 390 CB LYS A 25 -9.061 -0.483 0.364 1.00 0.00 C ATOM 391 CG LYS A 25 -10.445 -0.747 -0.231 1.00 0.00 C ATOM 392 CD LYS A 25 -11.013 -2.076 0.269 1.00 0.00 C ATOM 393 CE LYS A 25 -12.117 -2.586 -0.660 1.00 0.00 C ATOM 394 NZ LYS A 25 -12.369 -4.026 -0.425 1.00 0.00 N ATOM 0 H LYS A 25 -7.754 -2.276 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.369 0.640 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.756 -1.332 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.104 0.384 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.121 0.065 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.380 -0.762 -1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.215 -2.816 0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.410 -1.950 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.032 -2.019 -0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.829 -2.426 -1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.755 -4.456 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.477 -4.498 -0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.052 -4.137 0.352 1.00 0.00 H new ATOM 407 N PHE A 26 -6.547 1.133 0.578 1.00 0.00 N ATOM 408 CA PHE A 26 -5.279 1.547 1.154 1.00 0.00 C ATOM 409 C PHE A 26 -5.497 2.407 2.400 1.00 0.00 C ATOM 410 O PHE A 26 -5.915 3.559 2.300 1.00 0.00 O ATOM 411 CB PHE A 26 -4.559 2.383 0.093 1.00 0.00 C ATOM 412 CG PHE A 26 -3.109 1.960 -0.152 1.00 0.00 C ATOM 413 CD1 PHE A 26 -2.832 0.705 -0.596 1.00 0.00 C ATOM 414 CD2 PHE A 26 -2.096 2.840 0.073 1.00 0.00 C ATOM 415 CE1 PHE A 26 -1.487 0.312 -0.825 1.00 0.00 C ATOM 416 CE2 PHE A 26 -0.751 2.447 -0.156 1.00 0.00 C ATOM 417 CZ PHE A 26 -0.474 1.191 -0.598 1.00 0.00 C ATOM 0 H PHE A 26 -7.342 1.721 0.829 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.700 0.671 1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.110 2.315 -0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.575 3.430 0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.636 0.006 -0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.315 3.837 0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.268 -0.685 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.053 3.146 0.021 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.550 0.892 -0.769 1.00 0.00 H new ATOM 427 N GLN A 27 -5.204 1.813 3.549 1.00 0.00 N ATOM 428 CA GLN A 27 -5.362 2.510 4.813 1.00 0.00 C ATOM 429 C GLN A 27 -4.119 3.348 5.117 1.00 0.00 C ATOM 430 O GLN A 27 -3.016 3.006 4.692 1.00 0.00 O ATOM 431 CB GLN A 27 -5.652 1.526 5.948 1.00 0.00 C ATOM 432 CG GLN A 27 -6.953 0.763 5.694 1.00 0.00 C ATOM 433 CD GLN A 27 -8.072 1.267 6.607 1.00 0.00 C ATOM 434 OE1 GLN A 27 -8.300 0.759 7.693 1.00 0.00 O ATOM 435 NE2 GLN A 27 -8.757 2.294 6.109 1.00 0.00 N ATOM 0 H GLN A 27 -4.858 0.857 3.630 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.217 3.182 4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.826 0.821 6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.721 2.065 6.893 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.249 0.879 4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.793 -0.302 5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.515 2.672 5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.524 2.703 6.643 1.00 0.00 H new ATOM 444 N ILE A 28 -4.338 4.429 5.852 1.00 0.00 N ATOM 445 CA ILE A 28 -3.249 5.318 6.218 1.00 0.00 C ATOM 446 C ILE A 28 -2.903 5.112 7.694 1.00 0.00 C ATOM 447 O ILE A 28 -3.793 5.031 8.539 1.00 0.00 O ATOM 448 CB ILE A 28 -3.597 6.765 5.864 1.00 0.00 C ATOM 449 CG1 ILE A 28 -2.398 7.688 6.091 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.835 7.234 6.631 1.00 0.00 C ATOM 451 CD1 ILE A 28 -2.611 9.042 5.410 1.00 0.00 C ATOM 0 H ILE A 28 -5.254 4.709 6.204 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.353 5.080 5.644 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.840 6.809 4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.245 7.835 7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.495 7.219 5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.061 8.266 6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.683 6.598 6.377 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.644 7.173 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.744 9.679 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.739 8.894 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.501 9.519 5.820 1.00 0.00 H new ATOM 463 N LEU A 29 -1.606 5.032 7.960 1.00 0.00 N ATOM 464 CA LEU A 29 -1.132 4.837 9.318 1.00 0.00 C ATOM 465 C LEU A 29 0.256 5.466 9.464 1.00 0.00 C ATOM 466 O LEU A 29 0.437 6.407 10.236 1.00 0.00 O ATOM 467 CB LEU A 29 -1.178 3.355 9.695 1.00 0.00 C ATOM 468 CG LEU A 29 -1.934 3.013 10.980 1.00 0.00 C ATOM 469 CD1 LEU A 29 -3.239 2.277 10.669 1.00 0.00 C ATOM 470 CD2 LEU A 29 -1.047 2.224 11.945 1.00 0.00 C ATOM 0 H LEU A 29 -0.870 5.099 7.257 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.788 5.342 10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.634 2.805 8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.154 2.993 9.792 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.201 3.945 11.478 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.757 2.046 11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.874 2.909 10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.017 1.352 10.138 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.609 1.994 12.850 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.728 1.296 11.470 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.171 2.819 12.203 1.00 0.00 H new ATOM 482 N ASN A 30 1.199 4.920 8.711 1.00 0.00 N ATOM 483 CA ASN A 30 2.565 5.415 8.747 1.00 0.00 C ATOM 484 C ASN A 30 2.718 6.549 7.731 1.00 0.00 C ATOM 485 O ASN A 30 2.359 6.395 6.565 1.00 0.00 O ATOM 486 CB ASN A 30 3.560 4.313 8.380 1.00 0.00 C ATOM 487 CG ASN A 30 4.809 4.386 9.261 1.00 0.00 C ATOM 488 OD1 ASN A 30 5.903 4.683 8.811 1.00 0.00 O ATOM 489 ND2 ASN A 30 4.585 4.097 10.540 1.00 0.00 N ATOM 0 H ASN A 30 1.045 4.140 8.072 1.00 0.00 H new ATOM 0 HA ASN A 30 2.771 5.764 9.759 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.087 3.338 8.494 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.844 4.409 7.332 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.354 4.116 11.210 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.644 3.856 10.851 1.00 0.00 H new ATOM 496 N SER A 31 3.252 7.662 8.211 1.00 0.00 N ATOM 497 CA SER A 31 3.458 8.822 7.360 1.00 0.00 C ATOM 498 C SER A 31 4.494 9.756 7.988 1.00 0.00 C ATOM 499 O SER A 31 4.139 10.705 8.685 1.00 0.00 O ATOM 500 CB SER A 31 2.144 9.570 7.122 1.00 0.00 C ATOM 501 OG SER A 31 1.265 8.846 6.265 1.00 0.00 O ATOM 0 H SER A 31 3.549 7.786 9.179 1.00 0.00 H new ATOM 0 HA SER A 31 3.829 8.476 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.651 9.751 8.077 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.356 10.545 6.683 1.00 0.00 H new ATOM 0 HG SER A 31 1.608 7.937 6.138 1.00 0.00 H new ATOM 507 N SER A 32 5.756 9.454 7.719 1.00 0.00 N ATOM 508 CA SER A 32 6.846 10.255 8.249 1.00 0.00 C ATOM 509 C SER A 32 7.510 11.048 7.121 1.00 0.00 C ATOM 510 O SER A 32 7.105 12.170 6.824 1.00 0.00 O ATOM 511 CB SER A 32 7.878 9.378 8.960 1.00 0.00 C ATOM 512 OG SER A 32 7.610 9.260 10.354 1.00 0.00 O ATOM 0 H SER A 32 6.048 8.666 7.141 1.00 0.00 H new ATOM 0 HA SER A 32 6.435 10.951 8.980 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.884 8.387 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.873 9.800 8.817 1.00 0.00 H new ATOM 0 HG SER A 32 8.290 8.691 10.771 1.00 0.00 H new ATOM 518 N GLU A 33 8.520 10.432 6.523 1.00 0.00 N ATOM 519 CA GLU A 33 9.243 11.066 5.434 1.00 0.00 C ATOM 520 C GLU A 33 8.590 10.726 4.093 1.00 0.00 C ATOM 521 O GLU A 33 7.764 11.487 3.590 1.00 0.00 O ATOM 522 CB GLU A 33 10.718 10.658 5.445 1.00 0.00 C ATOM 523 CG GLU A 33 11.246 10.547 6.877 1.00 0.00 C ATOM 524 CD GLU A 33 11.653 9.107 7.200 1.00 0.00 C ATOM 525 OE1 GLU A 33 10.891 8.380 7.854 1.00 0.00 O ATOM 526 OE2 GLU A 33 12.807 8.752 6.746 1.00 0.00 O ATOM 0 H GLU A 33 8.854 9.501 6.772 1.00 0.00 H new ATOM 0 HA GLU A 33 9.197 12.146 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.838 9.703 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.306 11.391 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.103 11.209 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.480 10.878 7.578 1.00 0.00 H new ATOM 534 N GLY A 34 8.984 9.583 3.552 1.00 0.00 N ATOM 535 CA GLY A 34 8.446 9.133 2.279 1.00 0.00 C ATOM 536 C GLY A 34 9.306 8.015 1.686 1.00 0.00 C ATOM 537 O GLY A 34 10.007 8.224 0.697 1.00 0.00 O ATOM 0 H GLY A 34 9.669 8.955 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.425 8.777 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.401 9.970 1.583 1.00 0.00 H new ATOM 541 N ASP A 35 9.224 6.852 2.316 1.00 0.00 N ATOM 542 CA ASP A 35 9.986 5.700 1.862 1.00 0.00 C ATOM 543 C ASP A 35 9.057 4.489 1.757 1.00 0.00 C ATOM 544 O ASP A 35 8.683 4.082 0.658 1.00 0.00 O ATOM 545 CB ASP A 35 11.103 5.356 2.848 1.00 0.00 C ATOM 546 CG ASP A 35 12.516 5.697 2.370 1.00 0.00 C ATOM 547 OD1 ASP A 35 13.378 4.814 2.241 1.00 0.00 O ATOM 548 OD2 ASP A 35 12.721 6.946 2.121 1.00 0.00 O ATOM 0 H ASP A 35 8.642 6.682 3.136 1.00 0.00 H new ATOM 0 HA ASP A 35 10.423 5.944 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.916 5.882 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.058 4.289 3.067 1.00 0.00 H new ATOM 554 N TRP A 36 8.712 3.947 2.915 1.00 0.00 N ATOM 555 CA TRP A 36 7.835 2.790 2.968 1.00 0.00 C ATOM 556 C TRP A 36 6.548 3.205 3.686 1.00 0.00 C ATOM 557 O TRP A 36 6.597 3.812 4.755 1.00 0.00 O ATOM 558 CB TRP A 36 8.532 1.601 3.631 1.00 0.00 C ATOM 559 CG TRP A 36 9.646 1.997 4.603 1.00 0.00 C ATOM 560 CD1 TRP A 36 9.532 2.654 5.766 1.00 0.00 C ATOM 561 CD2 TRP A 36 11.056 1.733 4.449 1.00 0.00 C ATOM 562 NE1 TRP A 36 10.760 2.832 6.369 1.00 0.00 N ATOM 563 CE2 TRP A 36 11.717 2.253 5.543 1.00 0.00 C ATOM 564 CE3 TRP A 36 11.752 1.076 3.418 1.00 0.00 C ATOM 565 CZ2 TRP A 36 13.104 2.172 5.711 1.00 0.00 C ATOM 566 CZ3 TRP A 36 13.137 1.003 3.601 1.00 0.00 C ATOM 567 CH2 TRP A 36 13.817 1.521 4.697 1.00 0.00 C ATOM 0 H TRP A 36 9.024 4.288 3.824 1.00 0.00 H new ATOM 0 HA TRP A 36 7.581 2.453 1.963 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.789 1.010 4.167 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.951 0.960 2.856 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.596 3.000 6.179 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.934 3.302 7.257 1.00 0.00 H new ATOM 0 HE3 TRP A 36 11.256 0.661 2.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 13.598 2.589 6.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.719 0.509 2.837 1.00 0.00 H new ATOM 0 HH2 TRP A 36 14.890 1.422 4.766 1.00 0.00 H new ATOM 578 N TRP A 37 5.427 2.860 3.070 1.00 0.00 N ATOM 579 CA TRP A 37 4.130 3.188 3.636 1.00 0.00 C ATOM 580 C TRP A 37 3.404 1.879 3.947 1.00 0.00 C ATOM 581 O TRP A 37 3.664 0.855 3.316 1.00 0.00 O ATOM 582 CB TRP A 37 3.338 4.103 2.699 1.00 0.00 C ATOM 583 CG TRP A 37 3.740 5.577 2.782 1.00 0.00 C ATOM 584 CD1 TRP A 37 4.558 6.161 3.668 1.00 0.00 C ATOM 585 CD2 TRP A 37 3.303 6.638 1.906 1.00 0.00 C ATOM 586 NE1 TRP A 37 4.682 7.514 3.428 1.00 0.00 N ATOM 587 CE2 TRP A 37 3.894 7.813 2.322 1.00 0.00 C ATOM 588 CE3 TRP A 37 2.438 6.604 0.798 1.00 0.00 C ATOM 589 CZ2 TRP A 37 3.684 9.044 1.688 1.00 0.00 C ATOM 590 CZ3 TRP A 37 2.238 7.841 0.175 1.00 0.00 C ATOM 591 CH2 TRP A 37 2.825 9.035 0.582 1.00 0.00 C ATOM 0 H TRP A 37 5.390 2.356 2.184 1.00 0.00 H new ATOM 0 HA TRP A 37 4.245 3.750 4.563 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.470 3.758 1.674 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.277 4.013 2.931 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.058 5.638 4.470 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.247 8.173 3.963 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.966 5.695 0.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.159 9.951 2.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.582 7.871 -0.682 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.619 9.951 0.047 1.00 0.00 H new ATOM 602 N GLU A 38 2.509 1.952 4.921 1.00 0.00 N ATOM 603 CA GLU A 38 1.743 0.785 5.324 1.00 0.00 C ATOM 604 C GLU A 38 0.550 0.582 4.386 1.00 0.00 C ATOM 605 O GLU A 38 0.166 1.496 3.658 1.00 0.00 O ATOM 606 CB GLU A 38 1.282 0.905 6.778 1.00 0.00 C ATOM 607 CG GLU A 38 1.991 -0.122 7.664 1.00 0.00 C ATOM 608 CD GLU A 38 3.370 0.383 8.093 1.00 0.00 C ATOM 609 OE1 GLU A 38 4.310 0.385 7.282 1.00 0.00 O ATOM 610 OE2 GLU A 38 3.448 0.785 9.316 1.00 0.00 O ATOM 0 H GLU A 38 2.297 2.802 5.443 1.00 0.00 H new ATOM 0 HA GLU A 38 2.389 -0.090 5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.486 1.911 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.204 0.757 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.384 -0.327 8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.096 -1.063 7.124 1.00 0.00 H new ATOM 618 N ALA A 39 -0.002 -0.621 4.434 1.00 0.00 N ATOM 619 CA ALA A 39 -1.143 -0.955 3.599 1.00 0.00 C ATOM 620 C ALA A 39 -2.013 -1.986 4.320 1.00 0.00 C ATOM 621 O ALA A 39 -1.783 -3.189 4.202 1.00 0.00 O ATOM 622 CB ALA A 39 -0.651 -1.455 2.239 1.00 0.00 C ATOM 0 H ALA A 39 0.320 -1.377 5.038 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.758 -0.073 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.507 -1.706 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.063 -0.675 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.032 -2.341 2.379 1.00 0.00 H new ATOM 628 N ARG A 40 -2.995 -1.479 5.050 1.00 0.00 N ATOM 629 CA ARG A 40 -3.901 -2.340 5.790 1.00 0.00 C ATOM 630 C ARG A 40 -5.029 -2.830 4.880 1.00 0.00 C ATOM 631 O ARG A 40 -6.025 -2.133 4.691 1.00 0.00 O ATOM 632 CB ARG A 40 -4.504 -1.606 6.989 1.00 0.00 C ATOM 633 CG ARG A 40 -3.506 -0.608 7.579 1.00 0.00 C ATOM 634 CD ARG A 40 -3.212 -0.927 9.046 1.00 0.00 C ATOM 635 NE ARG A 40 -3.152 -2.393 9.243 1.00 0.00 N ATOM 636 CZ ARG A 40 -3.946 -3.074 10.096 1.00 0.00 C ATOM 637 NH1 ARG A 40 -4.868 -2.427 10.840 1.00 0.00 N ATOM 638 NH2 ARG A 40 -3.807 -4.384 10.191 1.00 0.00 N ATOM 0 H ARG A 40 -3.183 -0.481 5.145 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.326 -3.192 6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.409 -1.082 6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.797 -2.327 7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.580 -0.633 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.905 0.403 7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.267 -0.473 9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.986 -0.498 9.682 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.468 -2.921 8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.969 -1.415 10.760 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.464 -2.950 11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.108 -4.865 9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.399 -4.915 10.831 1.00 0.00 H new ATOM 651 N SER A 41 -4.835 -4.024 4.341 1.00 0.00 N ATOM 652 CA SER A 41 -5.825 -4.614 3.455 1.00 0.00 C ATOM 653 C SER A 41 -6.996 -5.166 4.272 1.00 0.00 C ATOM 654 O SER A 41 -6.799 -5.978 5.174 1.00 0.00 O ATOM 655 CB SER A 41 -5.208 -5.722 2.600 1.00 0.00 C ATOM 656 OG SER A 41 -6.099 -6.171 1.582 1.00 0.00 O ATOM 0 H SER A 41 -4.008 -4.599 4.500 1.00 0.00 H new ATOM 0 HA SER A 41 -6.191 -3.836 2.785 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.289 -5.357 2.142 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.934 -6.562 3.238 1.00 0.00 H new ATOM 0 HG SER A 41 -5.932 -7.119 1.396 1.00 0.00 H new ATOM 662 N LEU A 42 -8.187 -4.701 3.926 1.00 0.00 N ATOM 663 CA LEU A 42 -9.389 -5.138 4.616 1.00 0.00 C ATOM 664 C LEU A 42 -9.933 -6.396 3.937 1.00 0.00 C ATOM 665 O LEU A 42 -10.830 -7.052 4.465 1.00 0.00 O ATOM 666 CB LEU A 42 -10.404 -3.996 4.699 1.00 0.00 C ATOM 667 CG LEU A 42 -10.324 -3.116 5.948 1.00 0.00 C ATOM 668 CD1 LEU A 42 -10.805 -1.694 5.649 1.00 0.00 C ATOM 669 CD2 LEU A 42 -11.089 -3.746 7.112 1.00 0.00 C ATOM 0 H LEU A 42 -8.346 -4.026 3.178 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.160 -5.406 5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.278 -3.360 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.406 -4.422 4.643 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.279 -3.046 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.738 -1.089 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.180 -1.254 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.840 -1.724 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.016 -3.100 7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.137 -3.866 6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.660 -4.721 7.344 1.00 0.00 H new ATOM 681 N THR A 43 -9.367 -6.696 2.777 1.00 0.00 N ATOM 682 CA THR A 43 -9.784 -7.864 2.021 1.00 0.00 C ATOM 683 C THR A 43 -9.040 -9.109 2.508 1.00 0.00 C ATOM 684 O THR A 43 -9.619 -9.959 3.181 1.00 0.00 O ATOM 685 CB THR A 43 -9.567 -7.568 0.535 1.00 0.00 C ATOM 686 OG1 THR A 43 -9.892 -6.187 0.405 1.00 0.00 O ATOM 687 CG2 THR A 43 -10.587 -8.277 -0.358 1.00 0.00 C ATOM 0 H THR A 43 -8.623 -6.150 2.343 1.00 0.00 H new ATOM 0 HA THR A 43 -10.842 -8.076 2.174 1.00 0.00 H new ATOM 0 HB THR A 43 -8.560 -7.872 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.777 -5.910 -0.528 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.388 -8.033 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.508 -9.355 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.592 -7.949 -0.094 1.00 0.00 H new ATOM 695 N THR A 44 -7.767 -9.175 2.148 1.00 0.00 N ATOM 696 CA THR A 44 -6.936 -10.302 2.539 1.00 0.00 C ATOM 697 C THR A 44 -6.697 -10.287 4.050 1.00 0.00 C ATOM 698 O THR A 44 -6.902 -11.295 4.724 1.00 0.00 O ATOM 699 CB THR A 44 -5.646 -10.246 1.719 1.00 0.00 C ATOM 700 OG1 THR A 44 -5.282 -8.868 1.737 1.00 0.00 O ATOM 701 CG2 THR A 44 -5.881 -10.550 0.237 1.00 0.00 C ATOM 0 H THR A 44 -7.290 -8.467 1.590 1.00 0.00 H new ATOM 0 HA THR A 44 -7.430 -11.250 2.328 1.00 0.00 H new ATOM 0 HB THR A 44 -4.926 -10.956 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.454 -8.742 1.229 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.934 -10.497 -0.300 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.302 -11.550 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.575 -9.819 -0.179 1.00 0.00 H new ATOM 709 N GLY A 45 -6.264 -9.133 4.538 1.00 0.00 N ATOM 710 CA GLY A 45 -5.994 -8.974 5.956 1.00 0.00 C ATOM 711 C GLY A 45 -4.507 -9.174 6.257 1.00 0.00 C ATOM 712 O GLY A 45 -4.150 -9.873 7.204 1.00 0.00 O ATOM 0 H GLY A 45 -6.094 -8.299 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.304 -7.980 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.584 -9.693 6.525 1.00 0.00 H new ATOM 716 N GLU A 46 -3.680 -8.549 5.432 1.00 0.00 N ATOM 717 CA GLU A 46 -2.240 -8.650 5.599 1.00 0.00 C ATOM 718 C GLU A 46 -1.559 -7.367 5.116 1.00 0.00 C ATOM 719 O GLU A 46 -1.924 -6.819 4.077 1.00 0.00 O ATOM 720 CB GLU A 46 -1.687 -9.873 4.864 1.00 0.00 C ATOM 721 CG GLU A 46 -0.880 -10.763 5.811 1.00 0.00 C ATOM 722 CD GLU A 46 0.545 -10.234 5.980 1.00 0.00 C ATOM 723 OE1 GLU A 46 1.186 -9.852 4.989 1.00 0.00 O ATOM 724 OE2 GLU A 46 0.984 -10.226 7.193 1.00 0.00 O ATOM 0 H GLU A 46 -3.979 -7.971 4.647 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.025 -8.776 6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.509 -10.445 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.056 -9.550 4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.373 -10.807 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.850 -11.781 5.422 1.00 0.00 H new ATOM 732 N THR A 47 -0.583 -6.925 5.895 1.00 0.00 N ATOM 733 CA THR A 47 0.153 -5.717 5.561 1.00 0.00 C ATOM 734 C THR A 47 1.481 -6.069 4.887 1.00 0.00 C ATOM 735 O THR A 47 1.672 -7.198 4.436 1.00 0.00 O ATOM 736 CB THR A 47 0.319 -4.896 6.840 1.00 0.00 C ATOM 737 OG1 THR A 47 0.959 -5.791 7.747 1.00 0.00 O ATOM 738 CG2 THR A 47 -1.018 -4.579 7.512 1.00 0.00 C ATOM 0 H THR A 47 -0.284 -7.382 6.757 1.00 0.00 H new ATOM 0 HA THR A 47 -0.391 -5.111 4.837 1.00 0.00 H new ATOM 0 HB THR A 47 0.838 -3.966 6.608 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.107 -5.339 8.604 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.842 -3.995 8.415 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.643 -4.007 6.826 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.523 -5.509 7.774 1.00 0.00 H new ATOM 746 N GLY A 48 2.365 -5.083 4.840 1.00 0.00 N ATOM 747 CA GLY A 48 3.669 -5.275 4.230 1.00 0.00 C ATOM 748 C GLY A 48 4.358 -3.933 3.975 1.00 0.00 C ATOM 749 O GLY A 48 3.844 -2.884 4.362 1.00 0.00 O ATOM 0 H GLY A 48 2.203 -4.148 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.292 -5.890 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.559 -5.816 3.290 1.00 0.00 H new ATOM 753 N TYR A 49 5.510 -4.010 3.327 1.00 0.00 N ATOM 754 CA TYR A 49 6.275 -2.814 3.016 1.00 0.00 C ATOM 755 C TYR A 49 6.370 -2.601 1.503 1.00 0.00 C ATOM 756 O TYR A 49 7.046 -3.359 0.808 1.00 0.00 O ATOM 757 CB TYR A 49 7.679 -3.054 3.574 1.00 0.00 C ATOM 758 CG TYR A 49 7.749 -3.050 5.102 1.00 0.00 C ATOM 759 CD1 TYR A 49 7.548 -4.220 5.806 1.00 0.00 C ATOM 760 CD2 TYR A 49 8.014 -1.876 5.778 1.00 0.00 C ATOM 761 CE1 TYR A 49 7.613 -4.216 7.245 1.00 0.00 C ATOM 762 CE2 TYR A 49 8.081 -1.872 7.217 1.00 0.00 C ATOM 763 CZ TYR A 49 7.878 -3.042 7.878 1.00 0.00 C ATOM 764 OH TYR A 49 7.940 -3.038 9.238 1.00 0.00 O ATOM 0 H TYR A 49 5.933 -4.882 3.008 1.00 0.00 H new ATOM 0 HA TYR A 49 5.799 -1.932 3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.046 -4.012 3.206 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.349 -2.286 3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.342 -5.139 5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.171 -0.960 5.228 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.455 -5.124 7.808 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.288 -0.960 7.758 1.00 0.00 H new ATOM 0 HH TYR A 49 8.138 -2.132 9.554 1.00 0.00 H new ATOM 774 N ILE A 50 5.683 -1.568 1.039 1.00 0.00 N ATOM 775 CA ILE A 50 5.682 -1.247 -0.378 1.00 0.00 C ATOM 776 C ILE A 50 5.560 0.268 -0.553 1.00 0.00 C ATOM 777 O ILE A 50 4.829 0.925 0.186 1.00 0.00 O ATOM 778 CB ILE A 50 4.596 -2.040 -1.107 1.00 0.00 C ATOM 779 CG1 ILE A 50 3.331 -2.151 -0.251 1.00 0.00 C ATOM 780 CG2 ILE A 50 5.115 -3.412 -1.541 1.00 0.00 C ATOM 781 CD1 ILE A 50 2.075 -1.951 -1.102 1.00 0.00 C ATOM 0 H ILE A 50 5.123 -0.943 1.619 1.00 0.00 H new ATOM 0 HA ILE A 50 6.624 -1.547 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 50 4.327 -1.497 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.297 -3.129 0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.359 -1.406 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.323 -3.954 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.964 -3.284 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.429 -3.977 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.191 -2.035 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.101 -0.963 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.038 -2.713 -1.881 1.00 0.00 H new ATOM 793 N PRO A 51 6.305 0.792 -1.562 1.00 0.00 N ATOM 794 CA PRO A 51 6.287 2.218 -1.843 1.00 0.00 C ATOM 795 C PRO A 51 5.148 2.573 -2.800 1.00 0.00 C ATOM 796 O PRO A 51 4.892 1.850 -3.763 1.00 0.00 O ATOM 797 CB PRO A 51 7.661 2.524 -2.417 1.00 0.00 C ATOM 798 CG PRO A 51 8.232 1.188 -2.867 1.00 0.00 C ATOM 799 CD PRO A 51 7.379 0.088 -2.256 1.00 0.00 C ATOM 0 HA PRO A 51 6.099 2.819 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.589 3.219 -3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.302 2.991 -1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.225 1.117 -3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.269 1.089 -2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.984 -0.579 -3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.959 -0.526 -1.567 1.00 0.00 H new ATOM 807 N SER A 52 4.494 3.687 -2.504 1.00 0.00 N ATOM 808 CA SER A 52 3.388 4.147 -3.327 1.00 0.00 C ATOM 809 C SER A 52 3.193 5.654 -3.146 1.00 0.00 C ATOM 810 O SER A 52 2.613 6.094 -2.155 1.00 0.00 O ATOM 811 CB SER A 52 2.098 3.400 -2.983 1.00 0.00 C ATOM 812 OG SER A 52 1.950 2.209 -3.751 1.00 0.00 O ATOM 0 H SER A 52 4.709 4.284 -1.706 1.00 0.00 H new ATOM 0 HA SER A 52 3.628 3.941 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.096 3.150 -1.922 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.243 4.053 -3.158 1.00 0.00 H new ATOM 0 HG SER A 52 2.833 1.825 -3.932 1.00 0.00 H new ATOM 818 N ASN A 53 3.688 6.403 -4.120 1.00 0.00 N ATOM 819 CA ASN A 53 3.576 7.851 -4.081 1.00 0.00 C ATOM 820 C ASN A 53 2.523 8.304 -5.094 1.00 0.00 C ATOM 821 O ASN A 53 2.295 9.501 -5.266 1.00 0.00 O ATOM 822 CB ASN A 53 4.904 8.517 -4.450 1.00 0.00 C ATOM 823 CG ASN A 53 5.676 8.932 -3.197 1.00 0.00 C ATOM 824 OD1 ASN A 53 6.593 8.263 -2.750 1.00 0.00 O ATOM 825 ND2 ASN A 53 5.255 10.072 -2.655 1.00 0.00 N ATOM 0 H ASN A 53 4.168 6.034 -4.941 1.00 0.00 H new ATOM 0 HA ASN A 53 3.297 8.140 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.508 7.829 -5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.716 9.392 -5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.706 10.434 -1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.481 10.583 -3.080 1.00 0.00 H new ATOM 832 N TYR A 54 1.907 7.323 -5.738 1.00 0.00 N ATOM 833 CA TYR A 54 0.884 7.606 -6.729 1.00 0.00 C ATOM 834 C TYR A 54 -0.515 7.360 -6.159 1.00 0.00 C ATOM 835 O TYR A 54 -1.311 6.633 -6.749 1.00 0.00 O ATOM 836 CB TYR A 54 1.130 6.629 -7.881 1.00 0.00 C ATOM 837 CG TYR A 54 0.931 7.241 -9.269 1.00 0.00 C ATOM 838 CD1 TYR A 54 1.946 7.968 -9.856 1.00 0.00 C ATOM 839 CD2 TYR A 54 -0.266 7.066 -9.935 1.00 0.00 C ATOM 840 CE1 TYR A 54 1.758 8.544 -11.162 1.00 0.00 C ATOM 841 CE2 TYR A 54 -0.454 7.641 -11.241 1.00 0.00 C ATOM 842 CZ TYR A 54 0.569 8.352 -11.791 1.00 0.00 C ATOM 843 OH TYR A 54 0.391 8.896 -13.024 1.00 0.00 O ATOM 0 H TYR A 54 2.097 6.332 -5.592 1.00 0.00 H new ATOM 0 HA TYR A 54 0.935 8.648 -7.046 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.147 6.245 -7.807 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.459 5.777 -7.771 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.882 8.105 -9.335 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.061 6.498 -9.476 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.545 9.116 -11.631 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.385 7.512 -11.773 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.506 8.676 -13.352 1.00 0.00 H new ATOM 853 N VAL A 55 -0.771 7.981 -5.017 1.00 0.00 N ATOM 854 CA VAL A 55 -2.059 7.839 -4.359 1.00 0.00 C ATOM 855 C VAL A 55 -2.939 9.040 -4.707 1.00 0.00 C ATOM 856 O VAL A 55 -2.506 10.186 -4.594 1.00 0.00 O ATOM 857 CB VAL A 55 -1.860 7.659 -2.853 1.00 0.00 C ATOM 858 CG1 VAL A 55 -1.294 6.273 -2.536 1.00 0.00 C ATOM 859 CG2 VAL A 55 -0.965 8.761 -2.282 1.00 0.00 C ATOM 0 H VAL A 55 -0.108 8.584 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.573 6.946 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.836 7.739 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.162 6.171 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.985 5.508 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.331 6.151 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.840 8.609 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.009 8.727 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.426 9.733 -2.459 1.00 0.00 H new ATOM 869 N ALA A 56 -4.160 8.738 -5.125 1.00 0.00 N ATOM 870 CA ALA A 56 -5.105 9.779 -5.491 1.00 0.00 C ATOM 871 C ALA A 56 -6.271 9.774 -4.499 1.00 0.00 C ATOM 872 O ALA A 56 -7.043 8.818 -4.449 1.00 0.00 O ATOM 873 CB ALA A 56 -5.566 9.567 -6.934 1.00 0.00 C ATOM 0 H ALA A 56 -4.516 7.787 -5.218 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.633 10.760 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.275 10.348 -7.208 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.705 9.608 -7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.047 8.593 -7.023 1.00 0.00 H new ATOM 879 N PRO A 57 -6.364 10.882 -3.716 1.00 0.00 N ATOM 880 CA PRO A 57 -7.423 11.014 -2.730 1.00 0.00 C ATOM 881 C PRO A 57 -8.741 11.420 -3.392 1.00 0.00 C ATOM 882 O PRO A 57 -8.925 12.578 -3.761 1.00 0.00 O ATOM 883 CB PRO A 57 -6.911 12.049 -1.741 1.00 0.00 C ATOM 884 CG PRO A 57 -5.798 12.795 -2.456 1.00 0.00 C ATOM 885 CD PRO A 57 -5.420 11.996 -3.692 1.00 0.00 C ATOM 0 HA PRO A 57 -7.647 10.075 -2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.708 12.730 -1.441 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.541 11.572 -0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.127 13.796 -2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.936 12.914 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.499 12.602 -4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.391 11.642 -3.635 1.00 0.00 H new ATOM 893 N VAL A 58 -9.627 10.442 -3.521 1.00 0.00 N ATOM 894 CA VAL A 58 -10.923 10.682 -4.132 1.00 0.00 C ATOM 895 C VAL A 58 -12.009 10.613 -3.056 1.00 0.00 C ATOM 896 O VAL A 58 -11.717 10.712 -1.865 1.00 0.00 O ATOM 897 CB VAL A 58 -11.153 9.696 -5.278 1.00 0.00 C ATOM 898 CG1 VAL A 58 -10.020 9.774 -6.304 1.00 0.00 C ATOM 899 CG2 VAL A 58 -11.316 8.269 -4.750 1.00 0.00 C ATOM 0 H VAL A 58 -9.472 9.482 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.960 11.680 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.080 9.976 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.208 9.063 -7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.970 10.782 -6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.074 9.533 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.478 7.588 -5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.415 7.975 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.171 8.226 -4.076 1.00 0.00 H new