USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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 GLY N :NH3+ -126:sc= 0.0498 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -122:sc= 1.14 USER MOD Single : A 9 THR OG1 : rot 168:sc= -1.52! USER MOD Single : A 12 GLN : amide:sc= -3.25! C(o=-3.2!,f=-3.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0875 X(o=-0.087,f=-0.49) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.06) USER MOD Single : A 29 ASN : amide:sc= -1.77 K(o=-1.8,f=-5.3!) USER MOD Single : A 33 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.26) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 121:sc= 0.951 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.93 K(o=-1.9,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.087 -14.962 -3.937 1.00 0.00 N ATOM 2 CA GLY A 1 -4.325 -14.160 -3.731 1.00 0.00 C ATOM 3 C GLY A 1 -4.253 -12.802 -4.400 1.00 0.00 C ATOM 4 O GLY A 1 -3.457 -12.594 -5.315 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.336 -15.889 -4.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.453 -14.461 -4.592 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.606 -15.098 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.180 -14.710 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.495 -14.027 -2.663 1.00 0.00 H new ATOM 9 N SER A 2 -5.088 -11.875 -3.942 1.00 0.00 N ATOM 10 CA SER A 2 -5.118 -10.529 -4.503 1.00 0.00 C ATOM 11 C SER A 2 -3.933 -9.707 -4.004 1.00 0.00 C ATOM 12 O SER A 2 -3.510 -9.844 -2.856 1.00 0.00 O ATOM 13 CB SER A 2 -6.428 -9.830 -4.137 1.00 0.00 C ATOM 14 OG SER A 2 -7.436 -10.772 -3.815 1.00 0.00 O ATOM 0 H SER A 2 -5.753 -12.031 -3.184 1.00 0.00 H new ATOM 0 HA SER A 2 -5.050 -10.612 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.264 -9.164 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.758 -9.210 -4.970 1.00 0.00 H new ATOM 0 HG SER A 2 -8.263 -10.300 -3.583 1.00 0.00 H new ATOM 20 N ALA A 3 -3.413 -8.845 -4.873 1.00 0.00 N ATOM 21 CA ALA A 3 -2.288 -7.989 -4.529 1.00 0.00 C ATOM 22 C ALA A 3 -1.085 -8.794 -4.053 1.00 0.00 C ATOM 23 O ALA A 3 -1.217 -9.920 -3.574 1.00 0.00 O ATOM 24 CB ALA A 3 -2.710 -6.994 -3.473 1.00 0.00 C ATOM 0 H ALA A 3 -3.757 -8.722 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.982 -7.456 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.865 -6.354 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.526 -6.381 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.043 -7.528 -2.583 1.00 0.00 H new ATOM 30 N ASP A 4 0.088 -8.197 -4.189 1.00 0.00 N ATOM 31 CA ASP A 4 1.330 -8.830 -3.775 1.00 0.00 C ATOM 32 C ASP A 4 2.382 -7.767 -3.498 1.00 0.00 C ATOM 33 O ASP A 4 3.568 -7.961 -3.759 1.00 0.00 O ATOM 34 CB ASP A 4 1.827 -9.797 -4.851 1.00 0.00 C ATOM 35 CG ASP A 4 2.916 -10.720 -4.341 1.00 0.00 C ATOM 36 OD1 ASP A 4 2.617 -11.568 -3.474 1.00 0.00 O ATOM 37 OD2 ASP A 4 4.067 -10.596 -4.809 1.00 0.00 O ATOM 0 H ASP A 4 0.206 -7.265 -4.587 1.00 0.00 H new ATOM 0 HA ASP A 4 1.146 -9.398 -2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.990 -10.393 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.205 -9.228 -5.700 1.00 0.00 H new ATOM 42 N TYR A 5 1.926 -6.634 -2.972 1.00 0.00 N ATOM 43 CA TYR A 5 2.810 -5.519 -2.659 1.00 0.00 C ATOM 44 C TYR A 5 3.972 -5.967 -1.783 1.00 0.00 C ATOM 45 O TYR A 5 5.042 -5.357 -1.794 1.00 0.00 O ATOM 46 CB TYR A 5 2.033 -4.412 -1.954 1.00 0.00 C ATOM 47 CG TYR A 5 0.764 -4.017 -2.665 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.783 -3.055 -3.662 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.455 -4.598 -2.335 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.370 -2.680 -4.311 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.617 -4.228 -2.978 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.571 -3.265 -3.966 1.00 0.00 C ATOM 53 OH TYR A 5 -2.727 -2.893 -4.614 1.00 0.00 O ATOM 0 H TYR A 5 0.944 -6.465 -2.753 1.00 0.00 H new ATOM 0 HA TYR A 5 3.213 -5.138 -3.598 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.787 -4.739 -0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.673 -3.535 -1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.720 -2.592 -3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.492 -5.352 -1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.336 -1.930 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.557 -4.688 -2.711 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.483 -3.401 -4.252 1.00 0.00 H new ATOM 63 N SER A 6 3.756 -7.035 -1.026 1.00 0.00 N ATOM 64 CA SER A 6 4.783 -7.570 -0.144 1.00 0.00 C ATOM 65 C SER A 6 6.094 -7.782 -0.901 1.00 0.00 C ATOM 66 O SER A 6 7.173 -7.774 -0.307 1.00 0.00 O ATOM 67 CB SER A 6 4.301 -8.879 0.478 1.00 0.00 C ATOM 68 OG SER A 6 5.218 -9.352 1.450 1.00 0.00 O ATOM 0 H SER A 6 2.875 -7.549 -1.006 1.00 0.00 H new ATOM 0 HA SER A 6 4.971 -6.849 0.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.324 -8.728 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.173 -9.630 -0.302 1.00 0.00 H new ATOM 0 HG SER A 6 4.885 -10.190 1.834 1.00 0.00 H new ATOM 74 N SER A 7 5.992 -7.956 -2.217 1.00 0.00 N ATOM 75 CA SER A 7 7.166 -8.152 -3.059 1.00 0.00 C ATOM 76 C SER A 7 7.568 -6.841 -3.734 1.00 0.00 C ATOM 77 O SER A 7 8.734 -6.638 -4.073 1.00 0.00 O ATOM 78 CB SER A 7 6.891 -9.223 -4.116 1.00 0.00 C ATOM 79 OG SER A 7 6.049 -8.723 -5.141 1.00 0.00 O ATOM 0 H SER A 7 5.106 -7.965 -2.722 1.00 0.00 H new ATOM 0 HA SER A 7 7.989 -8.485 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.832 -9.563 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.424 -10.089 -3.648 1.00 0.00 H new ATOM 0 HG SER A 7 5.241 -9.274 -5.199 1.00 0.00 H new ATOM 85 N LEU A 8 6.593 -5.954 -3.922 1.00 0.00 N ATOM 86 CA LEU A 8 6.837 -4.658 -4.550 1.00 0.00 C ATOM 87 C LEU A 8 7.892 -3.872 -3.774 1.00 0.00 C ATOM 88 O LEU A 8 8.604 -4.431 -2.938 1.00 0.00 O ATOM 89 CB LEU A 8 5.533 -3.855 -4.617 1.00 0.00 C ATOM 90 CG LEU A 8 4.927 -3.697 -6.013 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.744 -4.633 -6.184 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.499 -2.256 -6.252 1.00 0.00 C ATOM 0 H LEU A 8 5.623 -6.110 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 8 7.207 -4.829 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.797 -4.336 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.716 -2.863 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 8 5.688 -3.957 -6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.323 -4.509 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.074 -5.664 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.984 -4.399 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.071 -2.164 -7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.754 -1.970 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.366 -1.600 -6.168 1.00 0.00 H new ATOM 104 N THR A 9 7.979 -2.573 -4.042 1.00 0.00 N ATOM 105 CA THR A 9 8.938 -1.715 -3.354 1.00 0.00 C ATOM 106 C THR A 9 8.211 -0.682 -2.501 1.00 0.00 C ATOM 107 O THR A 9 7.038 -0.387 -2.724 1.00 0.00 O ATOM 108 CB THR A 9 9.874 -1.015 -4.350 1.00 0.00 C ATOM 109 OG1 THR A 9 10.212 0.285 -3.892 1.00 0.00 O ATOM 110 CG2 THR A 9 9.293 -0.874 -5.741 1.00 0.00 C ATOM 0 H THR A 9 7.399 -2.092 -4.729 1.00 0.00 H new ATOM 0 HA THR A 9 9.545 -2.346 -2.705 1.00 0.00 H new ATOM 0 HB THR A 9 10.752 -1.658 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.951 0.639 -4.430 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.013 -0.370 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.072 -1.862 -6.145 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.375 -0.288 -5.694 1.00 0.00 H new ATOM 118 N VAL A 10 8.919 -0.138 -1.523 1.00 0.00 N ATOM 119 CA VAL A 10 8.349 0.860 -0.629 1.00 0.00 C ATOM 120 C VAL A 10 7.941 2.114 -1.387 1.00 0.00 C ATOM 121 O VAL A 10 6.980 2.783 -1.017 1.00 0.00 O ATOM 122 CB VAL A 10 9.353 1.263 0.463 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.550 0.133 1.461 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.675 1.672 -0.171 1.00 0.00 C ATOM 0 H VAL A 10 9.892 -0.371 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 10 7.469 0.405 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 10 8.953 2.117 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.265 0.442 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.597 -0.106 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.930 -0.748 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.381 1.956 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.080 0.835 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.512 2.518 -0.838 1.00 0.00 H new ATOM 134 N VAL A 11 8.687 2.436 -2.438 1.00 0.00 N ATOM 135 CA VAL A 11 8.414 3.625 -3.235 1.00 0.00 C ATOM 136 C VAL A 11 7.107 3.496 -4.006 1.00 0.00 C ATOM 137 O VAL A 11 6.300 4.425 -4.044 1.00 0.00 O ATOM 138 CB VAL A 11 9.566 3.914 -4.221 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.904 3.801 -3.513 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.518 2.974 -5.417 1.00 0.00 C ATOM 0 H VAL A 11 9.486 1.889 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 11 8.326 4.458 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 11 9.446 4.932 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.708 4.007 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.945 4.521 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.021 2.793 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.342 3.203 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.606 1.943 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.572 3.102 -5.942 1.00 0.00 H new ATOM 150 N GLN A 12 6.905 2.338 -4.617 1.00 0.00 N ATOM 151 CA GLN A 12 5.695 2.093 -5.386 1.00 0.00 C ATOM 152 C GLN A 12 4.515 1.894 -4.457 1.00 0.00 C ATOM 153 O GLN A 12 3.420 2.393 -4.709 1.00 0.00 O ATOM 154 CB GLN A 12 5.863 0.869 -6.285 1.00 0.00 C ATOM 155 CG GLN A 12 6.224 1.215 -7.720 1.00 0.00 C ATOM 156 CD GLN A 12 7.714 1.125 -7.987 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.420 2.133 -7.973 1.00 0.00 O ATOM 158 NE2 GLN A 12 8.199 -0.085 -8.234 1.00 0.00 N ATOM 0 H GLN A 12 7.560 1.557 -4.595 1.00 0.00 H new ATOM 0 HA GLN A 12 5.509 2.963 -6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.639 0.226 -5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.937 0.295 -6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.697 0.541 -8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.879 2.225 -7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.577 -0.893 -8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.194 -0.207 -8.422 1.00 0.00 H new ATOM 167 N LEU A 13 4.751 1.154 -3.381 1.00 0.00 N ATOM 168 CA LEU A 13 3.710 0.874 -2.409 1.00 0.00 C ATOM 169 C LEU A 13 3.099 2.163 -1.865 1.00 0.00 C ATOM 170 O LEU A 13 1.887 2.353 -1.919 1.00 0.00 O ATOM 171 CB LEU A 13 4.259 0.020 -1.266 1.00 0.00 C ATOM 172 CG LEU A 13 3.865 -1.458 -1.328 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.971 -2.275 -1.973 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.555 -1.992 0.061 1.00 0.00 C ATOM 0 H LEU A 13 5.656 0.738 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 13 2.922 0.316 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.347 0.093 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.911 0.436 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 13 2.966 -1.546 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.675 -3.323 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.148 -1.913 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.885 -2.176 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.277 -3.044 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.436 -1.889 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.729 -1.426 0.492 1.00 0.00 H new ATOM 186 N LYS A 14 3.938 3.046 -1.341 1.00 0.00 N ATOM 187 CA LYS A 14 3.456 4.306 -0.791 1.00 0.00 C ATOM 188 C LYS A 14 2.978 5.250 -1.892 1.00 0.00 C ATOM 189 O LYS A 14 2.033 6.011 -1.697 1.00 0.00 O ATOM 190 CB LYS A 14 4.545 4.979 0.037 1.00 0.00 C ATOM 191 CG LYS A 14 5.734 5.445 -0.783 1.00 0.00 C ATOM 192 CD LYS A 14 6.744 6.205 0.064 1.00 0.00 C ATOM 193 CE LYS A 14 6.071 7.245 0.947 1.00 0.00 C ATOM 194 NZ LYS A 14 6.897 8.477 1.086 1.00 0.00 N ATOM 0 H LYS A 14 4.948 2.915 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 14 2.607 4.080 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.116 5.835 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.892 4.282 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.219 4.583 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.387 6.084 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.298 5.503 0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.469 6.694 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.100 7.505 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.887 6.819 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.402 9.160 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.814 8.234 1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.052 8.899 0.148 1.00 0.00 H new ATOM 208 N ASP A 15 3.628 5.193 -3.052 1.00 0.00 N ATOM 209 CA ASP A 15 3.247 6.046 -4.171 1.00 0.00 C ATOM 210 C ASP A 15 1.824 5.723 -4.609 1.00 0.00 C ATOM 211 O ASP A 15 0.970 6.608 -4.726 1.00 0.00 O ATOM 212 CB ASP A 15 4.218 5.856 -5.340 1.00 0.00 C ATOM 213 CG ASP A 15 3.875 6.735 -6.528 1.00 0.00 C ATOM 214 OD1 ASP A 15 2.945 6.379 -7.280 1.00 0.00 O ATOM 215 OD2 ASP A 15 4.537 7.779 -6.704 1.00 0.00 O ATOM 0 H ASP A 15 4.414 4.570 -3.239 1.00 0.00 H new ATOM 0 HA ASP A 15 3.291 7.087 -3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.231 6.080 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.208 4.811 -5.650 1.00 0.00 H new ATOM 220 N LEU A 16 1.568 4.440 -4.817 1.00 0.00 N ATOM 221 CA LEU A 16 0.251 3.984 -5.210 1.00 0.00 C ATOM 222 C LEU A 16 -0.722 4.203 -4.062 1.00 0.00 C ATOM 223 O LEU A 16 -1.906 4.434 -4.275 1.00 0.00 O ATOM 224 CB LEU A 16 0.302 2.504 -5.630 1.00 0.00 C ATOM 225 CG LEU A 16 -0.302 1.487 -4.645 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.139 0.450 -5.376 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.795 0.809 -3.846 1.00 0.00 C ATOM 0 H LEU A 16 2.260 3.697 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.095 4.558 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.215 2.403 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.344 2.234 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.954 2.028 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.554 -0.256 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.951 0.946 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.513 -0.085 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.352 0.093 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.470 0.288 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.352 1.559 -3.284 1.00 0.00 H new ATOM 239 N LEU A 17 -0.205 4.113 -2.840 1.00 0.00 N ATOM 240 CA LEU A 17 -1.026 4.288 -1.651 1.00 0.00 C ATOM 241 C LEU A 17 -1.697 5.650 -1.632 1.00 0.00 C ATOM 242 O LEU A 17 -2.921 5.754 -1.544 1.00 0.00 O ATOM 243 CB LEU A 17 -0.157 4.160 -0.408 1.00 0.00 C ATOM 244 CG LEU A 17 -0.047 2.760 0.165 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.003 2.732 1.264 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.402 2.302 0.682 1.00 0.00 C ATOM 0 H LEU A 17 0.778 3.920 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.797 3.518 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.845 4.517 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.555 4.820 0.363 1.00 0.00 H new ATOM 0 HG LEU A 17 0.265 2.070 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.077 1.724 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.968 3.029 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.718 3.423 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.314 1.296 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.743 2.983 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.122 2.299 -0.137 1.00 0.00 H new ATOM 258 N THR A 18 -0.886 6.693 -1.723 1.00 0.00 N ATOM 259 CA THR A 18 -1.406 8.053 -1.723 1.00 0.00 C ATOM 260 C THR A 18 -2.256 8.269 -2.964 1.00 0.00 C ATOM 261 O THR A 18 -3.259 8.981 -2.929 1.00 0.00 O ATOM 262 CB THR A 18 -0.274 9.092 -1.647 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.616 10.269 -2.359 1.00 0.00 O ATOM 264 CG2 THR A 18 1.049 8.599 -2.189 1.00 0.00 C ATOM 0 H THR A 18 0.129 6.626 -1.797 1.00 0.00 H new ATOM 0 HA THR A 18 -2.024 8.188 -0.835 1.00 0.00 H new ATOM 0 HB THR A 18 -0.154 9.292 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.118 10.915 -2.295 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.795 9.388 -2.100 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.373 7.728 -1.620 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.933 8.325 -3.238 1.00 0.00 H new ATOM 272 N LYS A 19 -1.857 7.631 -4.061 1.00 0.00 N ATOM 273 CA LYS A 19 -2.598 7.742 -5.308 1.00 0.00 C ATOM 274 C LYS A 19 -3.887 6.909 -5.256 1.00 0.00 C ATOM 275 O LYS A 19 -4.764 7.056 -6.108 1.00 0.00 O ATOM 276 CB LYS A 19 -1.729 7.289 -6.483 1.00 0.00 C ATOM 277 CG LYS A 19 -1.020 8.432 -7.191 1.00 0.00 C ATOM 278 CD LYS A 19 0.467 8.453 -6.871 1.00 0.00 C ATOM 279 CE LYS A 19 1.260 9.184 -7.942 1.00 0.00 C ATOM 280 NZ LYS A 19 2.100 10.271 -7.365 1.00 0.00 N ATOM 0 H LYS A 19 -1.030 7.036 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.870 8.788 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.985 6.579 -6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.353 6.758 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.160 8.336 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.470 9.379 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.625 8.936 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.834 7.431 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.897 8.474 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.575 9.606 -8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.625 10.745 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.490 10.962 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.772 9.865 -6.682 1.00 0.00 H new ATOM 294 N ARG A 20 -3.983 6.023 -4.262 1.00 0.00 N ATOM 295 CA ARG A 20 -5.142 5.148 -4.100 1.00 0.00 C ATOM 296 C ARG A 20 -6.233 5.798 -3.249 1.00 0.00 C ATOM 297 O ARG A 20 -7.359 5.304 -3.201 1.00 0.00 O ATOM 298 CB ARG A 20 -4.698 3.839 -3.454 1.00 0.00 C ATOM 299 CG ARG A 20 -5.723 2.726 -3.539 1.00 0.00 C ATOM 300 CD ARG A 20 -5.144 1.425 -3.014 1.00 0.00 C ATOM 301 NE ARG A 20 -4.437 0.684 -4.052 1.00 0.00 N ATOM 302 CZ ARG A 20 -5.043 -0.018 -5.006 1.00 0.00 C ATOM 303 NH1 ARG A 20 -6.368 -0.075 -5.058 1.00 0.00 N ATOM 304 NH2 ARG A 20 -4.323 -0.664 -5.913 1.00 0.00 N ATOM 0 H ARG A 20 -3.263 5.894 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.563 4.959 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.776 3.506 -3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.466 4.025 -2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.608 2.995 -2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.043 2.597 -4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.461 1.638 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.947 0.808 -2.610 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.417 0.705 -4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.927 0.421 -4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.827 -0.615 -5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.304 -0.623 -5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.788 -1.202 -6.644 1.00 0.00 H new ATOM 318 N ASN A 21 -5.880 6.891 -2.570 1.00 0.00 N ATOM 319 CA ASN A 21 -6.803 7.627 -1.695 1.00 0.00 C ATOM 320 C ASN A 21 -6.504 7.329 -0.230 1.00 0.00 C ATOM 321 O ASN A 21 -7.016 7.997 0.668 1.00 0.00 O ATOM 322 CB ASN A 21 -8.270 7.306 -2.005 1.00 0.00 C ATOM 323 CG ASN A 21 -9.222 8.336 -1.430 1.00 0.00 C ATOM 324 OD1 ASN A 21 -9.554 8.297 -0.245 1.00 0.00 O ATOM 325 ND2 ASN A 21 -9.665 9.265 -2.268 1.00 0.00 N ATOM 0 H ASN A 21 -4.944 7.294 -2.610 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.648 8.689 -1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.407 7.252 -3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.517 6.323 -1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.307 9.985 -1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.363 9.259 -3.242 1.00 0.00 H new ATOM 332 N LEU A 22 -5.655 6.333 0.001 1.00 0.00 N ATOM 333 CA LEU A 22 -5.264 5.954 1.348 1.00 0.00 C ATOM 334 C LEU A 22 -4.045 6.768 1.772 1.00 0.00 C ATOM 335 O LEU A 22 -3.851 7.887 1.300 1.00 0.00 O ATOM 336 CB LEU A 22 -4.948 4.456 1.404 1.00 0.00 C ATOM 337 CG LEU A 22 -6.048 3.534 0.877 1.00 0.00 C ATOM 338 CD1 LEU A 22 -5.519 2.663 -0.250 1.00 0.00 C ATOM 339 CD2 LEU A 22 -6.600 2.671 2.003 1.00 0.00 C ATOM 0 H LEU A 22 -5.224 5.773 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.087 6.159 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.038 4.272 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.735 4.185 2.438 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.857 4.150 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.316 2.013 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.168 3.296 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.693 2.054 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.382 2.020 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.798 2.063 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.016 3.311 2.781 1.00 0.00 H new ATOM 351 N SER A 23 -3.217 6.207 2.647 1.00 0.00 N ATOM 352 CA SER A 23 -2.024 6.898 3.094 1.00 0.00 C ATOM 353 C SER A 23 -0.830 5.961 3.139 1.00 0.00 C ATOM 354 O SER A 23 -0.922 4.793 2.764 1.00 0.00 O ATOM 355 CB SER A 23 -2.240 7.518 4.471 1.00 0.00 C ATOM 356 OG SER A 23 -3.266 8.495 4.438 1.00 0.00 O ATOM 0 H SER A 23 -3.353 5.282 3.055 1.00 0.00 H new ATOM 0 HA SER A 23 -1.818 7.691 2.375 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.500 6.738 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.312 7.973 4.818 1.00 0.00 H new ATOM 0 HG SER A 23 -3.385 8.875 5.333 1.00 0.00 H new ATOM 362 N VAL A 24 0.294 6.493 3.596 1.00 0.00 N ATOM 363 CA VAL A 24 1.522 5.727 3.690 1.00 0.00 C ATOM 364 C VAL A 24 2.096 5.771 5.106 1.00 0.00 C ATOM 365 O VAL A 24 3.154 5.201 5.373 1.00 0.00 O ATOM 366 CB VAL A 24 2.566 6.257 2.691 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.911 6.510 1.343 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.218 7.527 3.222 1.00 0.00 C ATOM 0 H VAL A 24 0.378 7.460 3.909 1.00 0.00 H new ATOM 0 HA VAL A 24 1.284 4.692 3.446 1.00 0.00 H new ATOM 0 HB VAL A 24 3.346 5.506 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.656 6.885 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.490 5.579 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.117 7.247 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.953 7.887 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.456 8.291 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.712 7.313 4.170 1.00 0.00 H new ATOM 378 N GLY A 25 1.395 6.449 6.011 1.00 0.00 N ATOM 379 CA GLY A 25 1.853 6.541 7.385 1.00 0.00 C ATOM 380 C GLY A 25 1.759 5.210 8.107 1.00 0.00 C ATOM 381 O GLY A 25 1.036 5.079 9.095 1.00 0.00 O ATOM 0 H GLY A 25 0.520 6.935 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.886 6.889 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.258 7.284 7.916 1.00 0.00 H new ATOM 385 N GLY A 26 2.494 4.222 7.608 1.00 0.00 N ATOM 386 CA GLY A 26 2.490 2.903 8.207 1.00 0.00 C ATOM 387 C GLY A 26 3.808 2.192 7.984 1.00 0.00 C ATOM 388 O GLY A 26 4.725 2.307 8.794 1.00 0.00 O ATOM 0 H GLY A 26 3.098 4.315 6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.297 2.988 9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.679 2.311 7.782 1.00 0.00 H new ATOM 392 N LEU A 27 3.897 1.459 6.875 1.00 0.00 N ATOM 393 CA LEU A 27 5.105 0.722 6.517 1.00 0.00 C ATOM 394 C LEU A 27 4.819 -0.212 5.349 1.00 0.00 C ATOM 395 O LEU A 27 3.665 -0.444 5.011 1.00 0.00 O ATOM 396 CB LEU A 27 5.615 -0.079 7.713 1.00 0.00 C ATOM 397 CG LEU A 27 7.057 0.222 8.129 1.00 0.00 C ATOM 398 CD1 LEU A 27 8.032 -0.313 7.094 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.266 1.718 8.332 1.00 0.00 C ATOM 0 H LEU A 27 3.136 1.360 6.203 1.00 0.00 H new ATOM 0 HA LEU A 27 5.874 1.436 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.961 0.111 8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.535 -1.141 7.480 1.00 0.00 H new ATOM 0 HG LEU A 27 7.246 -0.279 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.052 -0.090 7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.908 -1.392 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.836 0.159 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.299 1.904 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.054 2.245 7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.595 2.076 9.113 1.00 0.00 H new ATOM 411 N LYS A 28 5.869 -0.743 4.728 1.00 0.00 N ATOM 412 CA LYS A 28 5.699 -1.647 3.593 1.00 0.00 C ATOM 413 C LYS A 28 4.680 -2.738 3.912 1.00 0.00 C ATOM 414 O LYS A 28 3.659 -2.861 3.236 1.00 0.00 O ATOM 415 CB LYS A 28 7.037 -2.277 3.208 1.00 0.00 C ATOM 416 CG LYS A 28 7.163 -2.569 1.721 1.00 0.00 C ATOM 417 CD LYS A 28 8.501 -3.209 1.390 1.00 0.00 C ATOM 418 CE LYS A 28 8.358 -4.272 0.314 1.00 0.00 C ATOM 419 NZ LYS A 28 8.210 -5.635 0.896 1.00 0.00 N ATOM 0 H LYS A 28 6.839 -0.565 4.988 1.00 0.00 H new ATOM 0 HA LYS A 28 5.327 -1.064 2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.844 -1.609 3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.167 -3.205 3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.355 -3.231 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.052 -1.643 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.199 -2.442 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.925 -3.655 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.491 -4.046 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.231 -4.248 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.695 -6.243 0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.151 -6.039 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.681 -5.575 1.789 1.00 0.00 H new ATOM 433 N ASN A 29 4.948 -3.516 4.958 1.00 0.00 N ATOM 434 CA ASN A 29 4.036 -4.579 5.365 1.00 0.00 C ATOM 435 C ASN A 29 2.646 -4.008 5.604 1.00 0.00 C ATOM 436 O ASN A 29 1.639 -4.563 5.157 1.00 0.00 O ATOM 437 CB ASN A 29 4.546 -5.268 6.632 1.00 0.00 C ATOM 438 CG ASN A 29 4.663 -4.312 7.803 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.428 -3.349 7.760 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.901 -4.575 8.859 1.00 0.00 N ATOM 0 H ASN A 29 5.784 -3.430 5.535 1.00 0.00 H new ATOM 0 HA ASN A 29 3.985 -5.319 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.871 -6.082 6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.520 -5.715 6.432 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.936 -3.967 9.677 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.281 -5.385 8.851 1.00 0.00 H new ATOM 447 N GLU A 30 2.605 -2.877 6.294 1.00 0.00 N ATOM 448 CA GLU A 30 1.351 -2.200 6.581 1.00 0.00 C ATOM 449 C GLU A 30 0.725 -1.687 5.289 1.00 0.00 C ATOM 450 O GLU A 30 -0.494 -1.569 5.180 1.00 0.00 O ATOM 451 CB GLU A 30 1.586 -1.040 7.549 1.00 0.00 C ATOM 452 CG GLU A 30 1.430 -1.427 9.010 1.00 0.00 C ATOM 453 CD GLU A 30 0.065 -1.071 9.565 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.933 -1.227 8.830 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.006 -0.638 10.734 1.00 0.00 O ATOM 0 H GLU A 30 3.431 -2.408 6.666 1.00 0.00 H new ATOM 0 HA GLU A 30 0.667 -2.910 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.589 -0.644 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.886 -0.237 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.593 -2.499 9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.199 -0.927 9.599 1.00 0.00 H new ATOM 462 N TRP A 31 1.579 -1.377 4.315 1.00 0.00 N ATOM 463 CA TRP A 31 1.130 -0.868 3.029 1.00 0.00 C ATOM 464 C TRP A 31 0.459 -1.968 2.220 1.00 0.00 C ATOM 465 O TRP A 31 -0.645 -1.786 1.709 1.00 0.00 O ATOM 466 CB TRP A 31 2.313 -0.261 2.270 1.00 0.00 C ATOM 467 CG TRP A 31 2.800 1.003 2.910 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.154 1.707 3.884 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.024 1.709 2.648 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.889 2.803 4.239 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.041 2.827 3.503 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.107 1.513 1.781 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.089 3.739 3.518 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.149 2.422 1.801 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.134 3.521 2.664 1.00 0.00 C ATOM 0 H TRP A 31 2.591 -1.472 4.397 1.00 0.00 H new ATOM 0 HA TRP A 31 0.389 -0.086 3.194 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.128 -0.984 2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.017 -0.056 1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.200 1.437 4.312 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.621 3.493 4.941 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.128 0.668 1.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.078 4.591 4.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.989 2.280 1.138 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.964 4.212 2.656 1.00 0.00 H new ATOM 486 N VAL A 32 1.111 -3.120 2.131 1.00 0.00 N ATOM 487 CA VAL A 32 0.540 -4.245 1.406 1.00 0.00 C ATOM 488 C VAL A 32 -0.774 -4.662 2.056 1.00 0.00 C ATOM 489 O VAL A 32 -1.720 -5.055 1.378 1.00 0.00 O ATOM 490 CB VAL A 32 1.501 -5.453 1.351 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.836 -5.952 2.748 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.905 -6.570 0.505 1.00 0.00 C ATOM 0 H VAL A 32 2.025 -3.298 2.547 1.00 0.00 H new ATOM 0 HA VAL A 32 0.364 -3.919 0.381 1.00 0.00 H new ATOM 0 HB VAL A 32 2.430 -5.126 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.514 -6.803 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.314 -5.153 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.921 -6.259 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.595 -7.413 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.042 -6.890 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.734 -6.207 -0.509 1.00 0.00 H new ATOM 502 N GLN A 33 -0.822 -4.560 3.381 1.00 0.00 N ATOM 503 CA GLN A 33 -2.021 -4.914 4.131 1.00 0.00 C ATOM 504 C GLN A 33 -3.166 -3.950 3.819 1.00 0.00 C ATOM 505 O GLN A 33 -4.272 -4.379 3.492 1.00 0.00 O ATOM 506 CB GLN A 33 -1.730 -4.909 5.632 1.00 0.00 C ATOM 507 CG GLN A 33 -0.933 -6.115 6.102 1.00 0.00 C ATOM 508 CD GLN A 33 -1.573 -7.429 5.699 1.00 0.00 C ATOM 509 OE1 GLN A 33 -2.576 -7.848 6.277 1.00 0.00 O ATOM 510 NE2 GLN A 33 -0.995 -8.087 4.701 1.00 0.00 N ATOM 0 H GLN A 33 -0.045 -4.235 3.956 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.323 -5.917 3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.182 -4.001 5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.674 -4.873 6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.074 -6.064 5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.835 -6.081 7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.165 -7.703 4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.381 -8.977 4.385 1.00 0.00 H new ATOM 519 N ARG A 34 -2.896 -2.649 3.919 1.00 0.00 N ATOM 520 CA ARG A 34 -3.917 -1.641 3.642 1.00 0.00 C ATOM 521 C ARG A 34 -4.341 -1.688 2.178 1.00 0.00 C ATOM 522 O ARG A 34 -5.530 -1.598 1.866 1.00 0.00 O ATOM 523 CB ARG A 34 -3.425 -0.239 4.013 1.00 0.00 C ATOM 524 CG ARG A 34 -2.208 0.213 3.241 1.00 0.00 C ATOM 525 CD ARG A 34 -1.907 1.674 3.519 1.00 0.00 C ATOM 526 NE ARG A 34 -1.773 1.954 4.947 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.411 2.938 5.583 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.244 3.738 4.929 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.212 3.121 6.881 1.00 0.00 N ATOM 0 H ARG A 34 -1.987 -2.271 4.187 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.785 -1.869 4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.233 0.474 3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.195 -0.217 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.349 -0.399 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.374 0.068 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.986 1.956 3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.703 2.292 3.104 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.151 1.358 5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.402 3.604 3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.727 4.487 5.425 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.573 2.510 7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.698 3.872 7.371 1.00 0.00 H new ATOM 543 N LEU A 35 -3.371 -1.841 1.279 1.00 0.00 N ATOM 544 CA LEU A 35 -3.665 -1.914 -0.148 1.00 0.00 C ATOM 545 C LEU A 35 -4.538 -3.127 -0.440 1.00 0.00 C ATOM 546 O LEU A 35 -5.595 -3.011 -1.061 1.00 0.00 O ATOM 547 CB LEU A 35 -2.374 -2.008 -0.961 1.00 0.00 C ATOM 548 CG LEU A 35 -1.476 -0.776 -0.925 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.153 -1.084 -1.599 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.152 0.405 -1.599 1.00 0.00 C ATOM 0 H LEU A 35 -2.381 -1.916 1.513 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.196 -1.006 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.801 -2.862 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.635 -2.214 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.292 -0.510 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.484 -0.200 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.340 -1.904 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.331 -1.370 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.493 1.272 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.366 0.157 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.084 0.635 -1.082 1.00 0.00 H new ATOM 562 N ILE A 36 -4.097 -4.289 0.034 1.00 0.00 N ATOM 563 CA ILE A 36 -4.841 -5.525 -0.159 1.00 0.00 C ATOM 564 C ILE A 36 -6.267 -5.365 0.362 1.00 0.00 C ATOM 565 O ILE A 36 -7.221 -5.868 -0.232 1.00 0.00 O ATOM 566 CB ILE A 36 -4.156 -6.711 0.558 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.853 -7.087 -0.152 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.084 -7.918 0.625 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.974 -8.013 0.660 1.00 0.00 C ATOM 0 H ILE A 36 -3.227 -4.398 0.555 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.864 -5.738 -1.228 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.925 -6.399 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.090 -7.564 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.297 -6.178 -0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.578 -8.738 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.987 -7.652 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.351 -8.228 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.068 -8.239 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.707 -7.530 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.513 -8.938 0.867 1.00 0.00 H new ATOM 581 N LYS A 37 -6.398 -4.640 1.468 1.00 0.00 N ATOM 582 CA LYS A 37 -7.698 -4.385 2.064 1.00 0.00 C ATOM 583 C LYS A 37 -8.473 -3.396 1.208 1.00 0.00 C ATOM 584 O LYS A 37 -9.700 -3.448 1.133 1.00 0.00 O ATOM 585 CB LYS A 37 -7.537 -3.839 3.484 1.00 0.00 C ATOM 586 CG LYS A 37 -8.648 -4.269 4.429 1.00 0.00 C ATOM 587 CD LYS A 37 -8.279 -5.538 5.181 1.00 0.00 C ATOM 588 CE LYS A 37 -9.478 -6.122 5.910 1.00 0.00 C ATOM 589 NZ LYS A 37 -9.452 -5.806 7.365 1.00 0.00 N ATOM 0 H LYS A 37 -5.615 -4.219 1.969 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.251 -5.323 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.580 -4.171 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.505 -2.750 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.852 -3.469 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.565 -4.434 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.883 -6.274 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.487 -5.320 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.396 -5.731 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.494 -7.203 5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.286 -6.222 7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.589 -6.200 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.462 -4.774 7.496 1.00 0.00 H new ATOM 603 N ASP A 38 -7.741 -2.494 0.559 1.00 0.00 N ATOM 604 CA ASP A 38 -8.353 -1.493 -0.296 1.00 0.00 C ATOM 605 C ASP A 38 -8.950 -2.141 -1.538 1.00 0.00 C ATOM 606 O ASP A 38 -10.076 -1.835 -1.933 1.00 0.00 O ATOM 607 CB ASP A 38 -7.322 -0.438 -0.697 1.00 0.00 C ATOM 608 CG ASP A 38 -7.972 0.836 -1.201 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.179 0.951 -2.428 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.274 1.718 -0.370 1.00 0.00 O ATOM 0 H ASP A 38 -6.724 -2.440 0.612 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.155 -1.009 0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.689 -0.207 0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.672 -0.844 -1.473 1.00 0.00 H new ATOM 615 N ASP A 39 -8.189 -3.043 -2.148 1.00 0.00 N ATOM 616 CA ASP A 39 -8.639 -3.744 -3.343 1.00 0.00 C ATOM 617 C ASP A 39 -9.692 -4.790 -2.991 1.00 0.00 C ATOM 618 O ASP A 39 -10.556 -5.114 -3.806 1.00 0.00 O ATOM 619 CB ASP A 39 -7.454 -4.411 -4.043 1.00 0.00 C ATOM 620 CG ASP A 39 -6.603 -3.419 -4.811 1.00 0.00 C ATOM 621 OD1 ASP A 39 -6.051 -2.495 -4.178 1.00 0.00 O ATOM 622 OD2 ASP A 39 -6.487 -3.567 -6.046 1.00 0.00 O ATOM 0 H ASP A 39 -7.255 -3.306 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.087 -3.015 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.836 -4.918 -3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.823 -5.175 -4.727 1.00 0.00 H new ATOM 627 N GLU A 40 -9.612 -5.315 -1.773 1.00 0.00 N ATOM 628 CA GLU A 40 -10.557 -6.326 -1.309 1.00 0.00 C ATOM 629 C GLU A 40 -11.894 -5.698 -0.934 1.00 0.00 C ATOM 630 O GLU A 40 -12.921 -6.376 -0.910 1.00 0.00 O ATOM 631 CB GLU A 40 -9.982 -7.088 -0.115 1.00 0.00 C ATOM 632 CG GLU A 40 -8.962 -8.147 -0.503 1.00 0.00 C ATOM 633 CD GLU A 40 -9.495 -9.557 -0.343 1.00 0.00 C ATOM 634 OE1 GLU A 40 -10.196 -10.035 -1.260 1.00 0.00 O ATOM 635 OE2 GLU A 40 -9.212 -10.185 0.700 1.00 0.00 O ATOM 0 H GLU A 40 -8.902 -5.057 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.726 -7.026 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.515 -6.378 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.798 -7.563 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.659 -7.992 -1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.069 -8.028 0.111 1.00 0.00 H new ATOM 642 N GLU A 41 -11.879 -4.400 -0.648 1.00 0.00 N ATOM 643 CA GLU A 41 -13.098 -3.685 -0.281 1.00 0.00 C ATOM 644 C GLU A 41 -14.203 -3.908 -1.315 1.00 0.00 C ATOM 645 O GLU A 41 -15.380 -3.694 -1.028 1.00 0.00 O ATOM 646 CB GLU A 41 -12.813 -2.188 -0.144 1.00 0.00 C ATOM 647 CG GLU A 41 -12.215 -1.804 1.200 1.00 0.00 C ATOM 648 CD GLU A 41 -12.747 -0.480 1.716 1.00 0.00 C ATOM 649 OE1 GLU A 41 -13.826 -0.479 2.345 1.00 0.00 O ATOM 650 OE2 GLU A 41 -12.084 0.554 1.490 1.00 0.00 O ATOM 0 H GLU A 41 -11.039 -3.822 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.440 -4.077 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.130 -1.882 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.741 -1.635 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.431 -2.587 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.130 -1.745 1.108 1.00 0.00 H new ATOM 657 N SER A 42 -13.819 -4.340 -2.516 1.00 0.00 N ATOM 658 CA SER A 42 -14.786 -4.588 -3.579 1.00 0.00 C ATOM 659 C SER A 42 -14.409 -5.822 -4.397 1.00 0.00 C ATOM 660 O SER A 42 -14.935 -6.035 -5.489 1.00 0.00 O ATOM 661 CB SER A 42 -14.889 -3.367 -4.496 1.00 0.00 C ATOM 662 OG SER A 42 -16.236 -3.102 -4.844 1.00 0.00 O ATOM 0 H SER A 42 -12.850 -4.524 -2.774 1.00 0.00 H new ATOM 0 HA SER A 42 -15.754 -4.772 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.461 -2.497 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.303 -3.537 -5.400 1.00 0.00 H new ATOM 0 HG SER A 42 -16.478 -2.199 -4.550 1.00 0.00 H new ATOM 668 N LYS A 43 -13.495 -6.633 -3.866 1.00 0.00 N ATOM 669 CA LYS A 43 -13.054 -7.844 -4.551 1.00 0.00 C ATOM 670 C LYS A 43 -12.662 -7.549 -5.998 1.00 0.00 C ATOM 671 O LYS A 43 -12.745 -8.422 -6.863 1.00 0.00 O ATOM 672 CB LYS A 43 -14.155 -8.903 -4.514 1.00 0.00 C ATOM 673 CG LYS A 43 -13.634 -10.327 -4.621 1.00 0.00 C ATOM 674 CD LYS A 43 -14.764 -11.318 -4.850 1.00 0.00 C ATOM 675 CE LYS A 43 -15.346 -11.186 -6.249 1.00 0.00 C ATOM 676 NZ LYS A 43 -16.830 -11.312 -6.246 1.00 0.00 N ATOM 0 H LYS A 43 -13.047 -6.472 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.174 -8.223 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.716 -8.799 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.853 -8.718 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.919 -10.393 -5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.098 -10.589 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.395 -12.333 -4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.549 -11.154 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.064 -10.221 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.918 -11.953 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.188 -11.216 -7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.099 -12.243 -5.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.241 -10.565 -5.650 1.00 0.00 H new ATOM 690 N GLY A 44 -12.237 -6.316 -6.255 1.00 0.00 N ATOM 691 CA GLY A 44 -11.841 -5.933 -7.597 1.00 0.00 C ATOM 692 C GLY A 44 -12.436 -4.604 -8.021 1.00 0.00 C ATOM 693 O GLY A 44 -12.172 -3.573 -7.402 1.00 0.00 O ATOM 0 H GLY A 44 -12.160 -5.576 -5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.754 -5.874 -7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.152 -6.707 -8.299 1.00 0.00 H new ATOM 697 N GLU A 45 -13.239 -4.628 -9.079 1.00 0.00 N ATOM 698 CA GLU A 45 -13.873 -3.416 -9.585 1.00 0.00 C ATOM 699 C GLU A 45 -14.928 -2.905 -8.610 1.00 0.00 C ATOM 700 O GLU A 45 -15.338 -3.617 -7.693 1.00 0.00 O ATOM 701 CB GLU A 45 -14.510 -3.681 -10.951 1.00 0.00 C ATOM 702 CG GLU A 45 -15.446 -4.880 -10.964 1.00 0.00 C ATOM 703 CD GLU A 45 -16.898 -4.486 -11.147 1.00 0.00 C ATOM 704 OE1 GLU A 45 -17.646 -5.255 -11.786 1.00 0.00 O ATOM 705 OE2 GLU A 45 -17.288 -3.407 -10.653 1.00 0.00 O ATOM 0 H GLU A 45 -13.466 -5.473 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.103 -2.651 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.063 -2.795 -11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.721 -3.839 -11.686 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.153 -5.556 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.338 -5.430 -10.029 1.00 0.00 H new ATOM 712 N SER A 46 -15.364 -1.665 -8.814 1.00 0.00 N ATOM 713 CA SER A 46 -16.371 -1.057 -7.953 1.00 0.00 C ATOM 714 C SER A 46 -17.676 -1.846 -8.001 1.00 0.00 C ATOM 715 O SER A 46 -18.365 -1.862 -9.022 1.00 0.00 O ATOM 716 CB SER A 46 -16.621 0.393 -8.370 1.00 0.00 C ATOM 717 OG SER A 46 -17.499 1.040 -7.466 1.00 0.00 O ATOM 0 H SER A 46 -15.035 -1.062 -9.568 1.00 0.00 H new ATOM 0 HA SER A 46 -15.996 -1.073 -6.930 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.674 0.931 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.045 0.418 -9.374 1.00 0.00 H new ATOM 0 HG SER A 46 -17.641 1.966 -7.754 1.00 0.00 H new ATOM 723 N GLU A 47 -18.010 -2.498 -6.893 1.00 0.00 N ATOM 724 CA GLU A 47 -19.232 -3.288 -6.809 1.00 0.00 C ATOM 725 C GLU A 47 -20.246 -2.627 -5.881 1.00 0.00 C ATOM 726 O GLU A 47 -21.455 -2.749 -6.078 1.00 0.00 O ATOM 727 CB GLU A 47 -18.917 -4.703 -6.317 1.00 0.00 C ATOM 728 CG GLU A 47 -19.690 -5.788 -7.048 1.00 0.00 C ATOM 729 CD GLU A 47 -18.843 -7.011 -7.341 1.00 0.00 C ATOM 730 OE1 GLU A 47 -17.779 -6.858 -7.978 1.00 0.00 O ATOM 731 OE2 GLU A 47 -19.242 -8.121 -6.933 1.00 0.00 O ATOM 0 H GLU A 47 -17.451 -2.495 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 47 -19.666 -3.346 -7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -17.849 -4.889 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -19.139 -4.766 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -20.551 -6.082 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -20.076 -5.385 -7.984 1.00 0.00 H new ATOM 738 N VAL A 48 -19.745 -1.927 -4.868 1.00 0.00 N ATOM 739 CA VAL A 48 -20.608 -1.248 -3.909 1.00 0.00 C ATOM 740 C VAL A 48 -20.742 0.235 -4.244 1.00 0.00 C ATOM 741 O VAL A 48 -19.971 0.775 -5.037 1.00 0.00 O ATOM 742 CB VAL A 48 -20.074 -1.392 -2.471 1.00 0.00 C ATOM 743 CG1 VAL A 48 -20.082 -2.851 -2.043 1.00 0.00 C ATOM 744 CG2 VAL A 48 -18.676 -0.799 -2.355 1.00 0.00 C ATOM 0 H VAL A 48 -18.747 -1.815 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 48 -21.587 -1.723 -3.974 1.00 0.00 H new ATOM 0 HB VAL A 48 -20.732 -0.838 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.702 -2.934 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -21.101 -3.236 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.449 -3.431 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -18.317 -0.911 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.002 -1.320 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -18.707 0.259 -2.615 1.00 0.00 H new ATOM 754 N SER A 49 -21.727 0.886 -3.632 1.00 0.00 N ATOM 755 CA SER A 49 -21.963 2.306 -3.864 1.00 0.00 C ATOM 756 C SER A 49 -21.263 3.154 -2.805 1.00 0.00 C ATOM 757 O SER A 49 -20.997 2.685 -1.698 1.00 0.00 O ATOM 758 CB SER A 49 -23.464 2.601 -3.861 1.00 0.00 C ATOM 759 OG SER A 49 -23.956 2.731 -2.538 1.00 0.00 O ATOM 0 H SER A 49 -22.373 0.453 -2.973 1.00 0.00 H new ATOM 0 HA SER A 49 -21.551 2.564 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 49 -23.659 3.518 -4.416 1.00 0.00 H new ATOM 0 HB3 SER A 49 -23.996 1.799 -4.373 1.00 0.00 H new ATOM 0 HG SER A 49 -24.917 2.921 -2.564 1.00 0.00 H new ATOM 765 N PRO A 50 -20.954 4.421 -3.131 1.00 0.00 N ATOM 766 CA PRO A 50 -20.281 5.334 -2.200 1.00 0.00 C ATOM 767 C PRO A 50 -21.170 5.714 -1.019 1.00 0.00 C ATOM 768 O PRO A 50 -21.572 6.868 -0.876 1.00 0.00 O ATOM 769 CB PRO A 50 -19.978 6.564 -3.059 1.00 0.00 C ATOM 770 CG PRO A 50 -20.984 6.520 -4.156 1.00 0.00 C ATOM 771 CD PRO A 50 -21.235 5.063 -4.429 1.00 0.00 C ATOM 0 HA PRO A 50 -19.394 4.881 -1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -20.065 7.483 -2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -18.962 6.531 -3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -21.904 7.026 -3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -20.612 7.026 -5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -22.261 4.885 -4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -20.583 4.683 -5.215 1.00 0.00 H new ATOM 779 N GLN A 51 -21.473 4.732 -0.175 1.00 0.00 N ATOM 780 CA GLN A 51 -22.314 4.962 0.993 1.00 0.00 C ATOM 781 C GLN A 51 -21.804 4.173 2.195 1.00 0.00 C ATOM 782 O GLN A 51 -21.085 4.764 3.028 1.00 0.00 O ATOM 783 CB GLN A 51 -23.762 4.572 0.691 1.00 0.00 C ATOM 784 CG GLN A 51 -24.775 5.228 1.614 1.00 0.00 C ATOM 785 CD GLN A 51 -24.606 4.804 3.061 1.00 0.00 C ATOM 786 OE1 GLN A 51 -23.765 5.339 3.782 1.00 0.00 O ATOM 787 NE2 GLN A 51 -25.407 3.836 3.491 1.00 0.00 N ATOM 788 OXT GLN A 51 -22.128 2.970 2.293 1.00 0.00 O ATOM 0 H GLN A 51 -21.149 3.771 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 51 -22.274 6.024 1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -23.994 4.841 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -23.861 3.489 0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -24.678 6.311 1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -25.782 4.976 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -26.090 3.421 2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -25.339 3.508 4.454 1.00 0.00 H new TER 797 GLN A 51