USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 458 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 53 SER OG : rot 180:sc= 0.0442 USER MOD Set 1.2: A 54 ASN : amide:sc= 0 K(o=0.044,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ -161:sc= 1.24 (180deg=1.23) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.105 K(o=-0.11,f=-2.7!) USER MOD Single : A 5 MET CE :methyl -160:sc= 0 (180deg=-0.0441) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 1.22 (180deg=0.581) USER MOD Single : A 12 ASN : amide:sc= 0.147 X(o=0.15,f=-0.0017) USER MOD Single : A 13 TYR OH : rot -118:sc= 1.27 USER MOD Single : A 14 MET CE :methyl 140:sc= -0.222 (180deg=-1.02) USER MOD Single : A 22 SER OG : rot 42:sc= 0.352 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -63:sc= 1.1 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -144:sc= -0.769 (180deg=-2.85!) USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= 0.824 (180deg=-0.785!) USER MOD Single : A 35 CYS SG : rot -110:sc= 0.492 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -114:sc= -0.898! USER MOD Single : A 44 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 47 GLN : amide:sc= -1.03 K(o=-1,f=-5.1!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.409 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.290 -6.250 0.436 1.00 0.00 N ATOM 2 CA GLY A 1 -12.750 -4.874 0.314 1.00 0.00 C ATOM 3 C GLY A 1 -13.790 -3.818 0.634 1.00 0.00 C ATOM 4 O GLY A 1 -14.326 -3.174 -0.265 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.504 -6.924 0.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.899 -6.311 1.277 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.846 -6.481 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.900 -4.759 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.379 -4.720 -0.699 1.00 0.00 H new ATOM 8 N SER A 2 -14.092 -3.644 1.914 1.00 0.00 N ATOM 9 CA SER A 2 -15.078 -2.656 2.328 1.00 0.00 C ATOM 10 C SER A 2 -14.629 -1.913 3.584 1.00 0.00 C ATOM 11 O SER A 2 -15.452 -1.372 4.321 1.00 0.00 O ATOM 12 CB SER A 2 -16.428 -3.335 2.559 1.00 0.00 C ATOM 13 OG SER A 2 -16.887 -3.944 1.362 1.00 0.00 O ATOM 0 H SER A 2 -13.671 -4.171 2.679 1.00 0.00 H new ATOM 0 HA SER A 2 -15.180 -1.920 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.335 -4.086 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.157 -2.602 2.904 1.00 0.00 H new ATOM 0 HG SER A 2 -17.751 -4.376 1.525 1.00 0.00 H new ATOM 19 N LEU A 3 -13.323 -1.877 3.815 1.00 0.00 N ATOM 20 CA LEU A 3 -12.777 -1.123 4.935 1.00 0.00 C ATOM 21 C LEU A 3 -12.462 0.297 4.487 1.00 0.00 C ATOM 22 O LEU A 3 -12.957 1.265 5.063 1.00 0.00 O ATOM 23 CB LEU A 3 -11.518 -1.798 5.483 1.00 0.00 C ATOM 24 CG LEU A 3 -10.890 -1.113 6.696 1.00 0.00 C ATOM 25 CD1 LEU A 3 -11.869 -1.071 7.861 1.00 0.00 C ATOM 26 CD2 LEU A 3 -9.613 -1.826 7.100 1.00 0.00 C ATOM 0 H LEU A 3 -12.626 -2.358 3.246 1.00 0.00 H new ATOM 0 HA LEU A 3 -13.518 -1.094 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.763 -2.825 5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.775 -1.846 4.687 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.645 -0.087 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.400 -0.579 8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.760 -0.517 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.149 -2.087 8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.176 -1.328 7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.839 -2.862 7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.905 -1.802 6.272 1.00 0.00 H new ATOM 38 N ASN A 4 -11.644 0.399 3.442 1.00 0.00 N ATOM 39 CA ASN A 4 -11.286 1.681 2.833 1.00 0.00 C ATOM 40 C ASN A 4 -10.628 2.607 3.853 1.00 0.00 C ATOM 41 O ASN A 4 -11.194 3.626 4.260 1.00 0.00 O ATOM 42 CB ASN A 4 -12.513 2.345 2.191 1.00 0.00 C ATOM 43 CG ASN A 4 -13.028 1.568 0.987 1.00 0.00 C ATOM 44 OD1 ASN A 4 -12.858 0.351 0.893 1.00 0.00 O ATOM 45 ND2 ASN A 4 -13.673 2.264 0.059 1.00 0.00 N ATOM 0 H ASN A 4 -11.209 -0.406 2.991 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.560 1.488 2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -13.307 2.429 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.255 3.358 1.883 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.046 1.792 -0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.795 3.271 0.170 1.00 0.00 H new ATOM 52 N MET A 5 -9.428 2.230 4.263 1.00 0.00 N ATOM 53 CA MET A 5 -8.689 2.963 5.277 1.00 0.00 C ATOM 54 C MET A 5 -7.501 3.683 4.646 1.00 0.00 C ATOM 55 O MET A 5 -6.723 3.076 3.914 1.00 0.00 O ATOM 56 CB MET A 5 -8.208 1.993 6.360 1.00 0.00 C ATOM 57 CG MET A 5 -7.727 2.676 7.631 1.00 0.00 C ATOM 58 SD MET A 5 -7.529 1.521 9.001 1.00 0.00 S ATOM 59 CE MET A 5 -6.891 2.615 10.269 1.00 0.00 C ATOM 0 H MET A 5 -8.940 1.410 3.903 1.00 0.00 H new ATOM 0 HA MET A 5 -9.343 3.708 5.729 1.00 0.00 H new ATOM 0 HB2 MET A 5 -9.021 1.312 6.611 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.397 1.386 5.956 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.775 3.171 7.436 1.00 0.00 H new ATOM 0 HG3 MET A 5 -8.438 3.452 7.914 1.00 0.00 H new ATOM 0 HE1 MET A 5 -6.390 2.027 11.038 1.00 0.00 H new ATOM 0 HE2 MET A 5 -6.180 3.312 9.825 1.00 0.00 H new ATOM 0 HE3 MET A 5 -7.714 3.172 10.716 1.00 0.00 H new ATOM 69 N PRO A 6 -7.361 4.990 4.891 1.00 0.00 N ATOM 70 CA PRO A 6 -6.243 5.772 4.363 1.00 0.00 C ATOM 71 C PRO A 6 -4.934 5.461 5.087 1.00 0.00 C ATOM 72 O PRO A 6 -4.877 5.472 6.317 1.00 0.00 O ATOM 73 CB PRO A 6 -6.655 7.231 4.615 1.00 0.00 C ATOM 74 CG PRO A 6 -8.073 7.183 5.090 1.00 0.00 C ATOM 75 CD PRO A 6 -8.271 5.819 5.686 1.00 0.00 C ATOM 0 HA PRO A 6 -6.058 5.550 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.009 7.696 5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.568 7.824 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.262 7.962 5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.765 7.351 4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.017 5.799 6.746 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.305 5.485 5.599 1.00 0.00 H new ATOM 83 N ALA A 7 -3.886 5.196 4.320 1.00 0.00 N ATOM 84 CA ALA A 7 -2.586 4.870 4.888 1.00 0.00 C ATOM 85 C ALA A 7 -1.471 5.586 4.151 1.00 0.00 C ATOM 86 O ALA A 7 -1.442 5.611 2.924 1.00 0.00 O ATOM 87 CB ALA A 7 -2.344 3.369 4.863 1.00 0.00 C ATOM 0 H ALA A 7 -3.911 5.200 3.300 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.588 5.208 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.366 3.151 5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.116 2.866 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.376 3.012 3.833 1.00 0.00 H new ATOM 93 N TYR A 8 -0.556 6.162 4.905 1.00 0.00 N ATOM 94 CA TYR A 8 0.570 6.880 4.333 1.00 0.00 C ATOM 95 C TYR A 8 1.700 5.902 4.032 1.00 0.00 C ATOM 96 O TYR A 8 1.957 4.993 4.813 1.00 0.00 O ATOM 97 CB TYR A 8 1.043 7.967 5.302 1.00 0.00 C ATOM 98 CG TYR A 8 -0.056 8.925 5.717 1.00 0.00 C ATOM 99 CD1 TYR A 8 -0.992 9.383 4.798 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.160 9.361 7.031 1.00 0.00 C ATOM 101 CE1 TYR A 8 -1.999 10.250 5.177 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.167 10.226 7.419 1.00 0.00 C ATOM 103 CZ TYR A 8 -2.081 10.670 6.485 1.00 0.00 C ATOM 104 OH TYR A 8 -3.092 11.527 6.860 1.00 0.00 O ATOM 0 H TYR A 8 -0.570 6.147 5.925 1.00 0.00 H new ATOM 0 HA TYR A 8 0.261 7.358 3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.457 7.494 6.192 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.850 8.532 4.836 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.932 9.056 3.770 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.557 9.019 7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.719 10.597 4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.238 10.552 8.446 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.012 11.728 7.816 1.00 0.00 H new ATOM 114 N VAL A 9 2.365 6.074 2.903 1.00 0.00 N ATOM 115 CA VAL A 9 3.428 5.158 2.506 1.00 0.00 C ATOM 116 C VAL A 9 4.718 5.449 3.266 1.00 0.00 C ATOM 117 O VAL A 9 5.129 6.605 3.397 1.00 0.00 O ATOM 118 CB VAL A 9 3.703 5.223 0.989 1.00 0.00 C ATOM 119 CG1 VAL A 9 4.838 4.288 0.618 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.457 4.870 0.196 1.00 0.00 C ATOM 0 H VAL A 9 2.191 6.834 2.246 1.00 0.00 H new ATOM 0 HA VAL A 9 3.084 4.154 2.754 1.00 0.00 H new ATOM 0 HB VAL A 9 3.990 6.245 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.020 4.345 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.740 4.580 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.570 3.266 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.677 4.923 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.138 3.859 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.660 5.574 0.438 1.00 0.00 H new ATOM 130 N LYS A 10 5.350 4.392 3.769 1.00 0.00 N ATOM 131 CA LYS A 10 6.605 4.527 4.500 1.00 0.00 C ATOM 132 C LYS A 10 7.775 4.738 3.544 1.00 0.00 C ATOM 133 O LYS A 10 8.510 5.718 3.653 1.00 0.00 O ATOM 134 CB LYS A 10 6.886 3.289 5.363 1.00 0.00 C ATOM 135 CG LYS A 10 5.968 3.129 6.558 1.00 0.00 C ATOM 136 CD LYS A 10 6.457 2.010 7.468 1.00 0.00 C ATOM 137 CE LYS A 10 5.594 1.888 8.710 1.00 0.00 C ATOM 138 NZ LYS A 10 6.089 0.848 9.657 1.00 0.00 N ATOM 0 H LYS A 10 5.013 3.433 3.683 1.00 0.00 H new ATOM 0 HA LYS A 10 6.502 5.398 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.804 2.400 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.916 3.336 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.923 4.064 7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.955 2.912 6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.448 1.066 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.490 2.201 7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.561 2.851 9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.573 1.648 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.371 0.675 10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.274 -0.034 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.968 1.177 10.105 1.00 0.00 H new ATOM 152 N PHE A 11 7.940 3.815 2.602 1.00 0.00 N ATOM 153 CA PHE A 11 9.090 3.836 1.702 1.00 0.00 C ATOM 154 C PHE A 11 8.656 3.600 0.263 1.00 0.00 C ATOM 155 O PHE A 11 7.565 3.089 0.010 1.00 0.00 O ATOM 156 CB PHE A 11 10.112 2.767 2.108 1.00 0.00 C ATOM 157 CG PHE A 11 10.656 2.937 3.499 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.598 3.914 3.775 1.00 0.00 C ATOM 159 CD2 PHE A 11 10.224 2.118 4.531 1.00 0.00 C ATOM 160 CE1 PHE A 11 12.098 4.073 5.054 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.719 2.273 5.813 1.00 0.00 C ATOM 162 CZ PHE A 11 11.659 3.249 6.073 1.00 0.00 C ATOM 0 H PHE A 11 7.293 3.043 2.441 1.00 0.00 H new ATOM 0 HA PHE A 11 9.552 4.821 1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.646 1.785 2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.941 2.784 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.946 4.559 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.492 1.350 4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.831 4.840 5.257 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.371 1.631 6.609 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.051 3.369 7.072 1.00 0.00 H new ATOM 172 N ASN A 12 9.517 3.972 -0.676 1.00 0.00 N ATOM 173 CA ASN A 12 9.242 3.768 -2.090 1.00 0.00 C ATOM 174 C ASN A 12 9.333 2.285 -2.421 1.00 0.00 C ATOM 175 O ASN A 12 10.404 1.682 -2.332 1.00 0.00 O ATOM 176 CB ASN A 12 10.228 4.568 -2.950 1.00 0.00 C ATOM 177 CG ASN A 12 10.041 4.348 -4.447 1.00 0.00 C ATOM 178 OD1 ASN A 12 11.007 4.385 -5.206 1.00 0.00 O ATOM 179 ND2 ASN A 12 8.808 4.136 -4.889 1.00 0.00 N ATOM 0 H ASN A 12 10.414 4.418 -0.482 1.00 0.00 H new ATOM 0 HA ASN A 12 8.234 4.121 -2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.114 5.629 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.246 4.293 -2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.640 3.998 -5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.028 4.111 -4.232 1.00 0.00 H new ATOM 186 N TYR A 13 8.202 1.700 -2.767 1.00 0.00 N ATOM 187 CA TYR A 13 8.142 0.294 -3.112 1.00 0.00 C ATOM 188 C TYR A 13 7.986 0.143 -4.616 1.00 0.00 C ATOM 189 O TYR A 13 6.896 0.339 -5.159 1.00 0.00 O ATOM 190 CB TYR A 13 6.979 -0.381 -2.375 1.00 0.00 C ATOM 191 CG TYR A 13 6.846 -1.864 -2.656 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.842 -2.755 -2.275 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.725 -2.371 -3.301 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.726 -4.108 -2.532 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.602 -3.724 -3.561 1.00 0.00 C ATOM 196 CZ TYR A 13 6.603 -4.588 -3.172 1.00 0.00 C ATOM 197 OH TYR A 13 6.484 -5.938 -3.425 1.00 0.00 O ATOM 0 H TYR A 13 7.305 2.183 -2.816 1.00 0.00 H new ATOM 0 HA TYR A 13 9.068 -0.193 -2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.109 -0.236 -1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.049 0.115 -2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.721 -2.384 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.937 -1.698 -3.604 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.511 -4.786 -2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.726 -4.102 -4.067 1.00 0.00 H new ATOM 0 HH TYR A 13 6.441 -6.087 -4.393 1.00 0.00 H new ATOM 207 N MET A 14 9.088 -0.165 -5.289 1.00 0.00 N ATOM 208 CA MET A 14 9.086 -0.310 -6.738 1.00 0.00 C ATOM 209 C MET A 14 8.425 -1.615 -7.149 1.00 0.00 C ATOM 210 O MET A 14 9.092 -2.633 -7.348 1.00 0.00 O ATOM 211 CB MET A 14 10.506 -0.256 -7.309 1.00 0.00 C ATOM 212 CG MET A 14 11.257 1.033 -7.011 1.00 0.00 C ATOM 213 SD MET A 14 11.807 1.147 -5.299 1.00 0.00 S ATOM 214 CE MET A 14 12.917 -0.258 -5.204 1.00 0.00 C ATOM 0 H MET A 14 9.997 -0.319 -4.852 1.00 0.00 H new ATOM 0 HA MET A 14 8.516 0.526 -7.144 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.077 -1.095 -6.910 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.455 -0.390 -8.389 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.122 1.104 -7.670 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.613 1.883 -7.237 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.796 0.012 -4.618 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.406 -1.094 -4.727 1.00 0.00 H new ATOM 0 HE3 MET A 14 13.225 -0.547 -6.209 1.00 0.00 H new ATOM 224 N ALA A 15 7.109 -1.585 -7.238 1.00 0.00 N ATOM 225 CA ALA A 15 6.352 -2.730 -7.690 1.00 0.00 C ATOM 226 C ALA A 15 6.185 -2.683 -9.197 1.00 0.00 C ATOM 227 O ALA A 15 5.322 -1.977 -9.716 1.00 0.00 O ATOM 228 CB ALA A 15 5.001 -2.777 -7.003 1.00 0.00 C ATOM 0 H ALA A 15 6.541 -0.772 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 15 6.898 -3.637 -7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.444 -3.645 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.143 -2.850 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.443 -1.870 -7.235 1.00 0.00 H new ATOM 234 N GLU A 16 7.032 -3.416 -9.898 1.00 0.00 N ATOM 235 CA GLU A 16 7.007 -3.420 -11.351 1.00 0.00 C ATOM 236 C GLU A 16 6.125 -4.544 -11.876 1.00 0.00 C ATOM 237 O GLU A 16 6.007 -4.743 -13.085 1.00 0.00 O ATOM 238 CB GLU A 16 8.427 -3.552 -11.907 1.00 0.00 C ATOM 239 CG GLU A 16 9.345 -2.408 -11.503 1.00 0.00 C ATOM 240 CD GLU A 16 8.849 -1.058 -11.976 1.00 0.00 C ATOM 241 OE1 GLU A 16 8.842 -0.817 -13.200 1.00 0.00 O ATOM 242 OE2 GLU A 16 8.460 -0.228 -11.123 1.00 0.00 O ATOM 0 H GLU A 16 7.746 -4.016 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 16 6.586 -2.473 -11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.858 -4.492 -11.563 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.380 -3.603 -12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.443 -2.393 -10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.340 -2.587 -11.910 1.00 0.00 H new ATOM 249 N ARG A 17 5.503 -5.278 -10.964 1.00 0.00 N ATOM 250 CA ARG A 17 4.599 -6.348 -11.352 1.00 0.00 C ATOM 251 C ARG A 17 3.184 -5.815 -11.527 1.00 0.00 C ATOM 252 O ARG A 17 2.863 -4.722 -11.068 1.00 0.00 O ATOM 253 CB ARG A 17 4.595 -7.483 -10.334 1.00 0.00 C ATOM 254 CG ARG A 17 5.935 -8.180 -10.177 1.00 0.00 C ATOM 255 CD ARG A 17 5.758 -9.592 -9.632 1.00 0.00 C ATOM 256 NE ARG A 17 4.886 -9.617 -8.460 1.00 0.00 N ATOM 257 CZ ARG A 17 3.608 -9.999 -8.490 1.00 0.00 C ATOM 258 NH1 ARG A 17 3.076 -10.460 -9.612 1.00 0.00 N ATOM 259 NH2 ARG A 17 2.866 -9.932 -7.395 1.00 0.00 N ATOM 0 H ARG A 17 5.607 -5.153 -9.957 1.00 0.00 H new ATOM 0 HA ARG A 17 4.959 -6.744 -12.302 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.288 -7.087 -9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.847 -8.219 -10.629 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.443 -8.220 -11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.571 -7.604 -9.505 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.340 -10.232 -10.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.732 -10.005 -9.369 1.00 0.00 H new ATOM 0 HE ARG A 17 5.278 -9.325 -7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.644 -10.524 -10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.099 -10.751 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.271 -9.587 -6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.889 -10.225 -7.422 1.00 0.00 H new ATOM 273 N GLU A 18 2.348 -6.603 -12.183 1.00 0.00 N ATOM 274 CA GLU A 18 1.008 -6.170 -12.566 1.00 0.00 C ATOM 275 C GLU A 18 0.036 -6.092 -11.377 1.00 0.00 C ATOM 276 O GLU A 18 -0.805 -5.194 -11.321 1.00 0.00 O ATOM 277 CB GLU A 18 0.469 -7.127 -13.631 1.00 0.00 C ATOM 278 CG GLU A 18 -0.925 -6.789 -14.125 1.00 0.00 C ATOM 279 CD GLU A 18 -1.366 -7.690 -15.257 1.00 0.00 C ATOM 280 OE1 GLU A 18 -1.648 -8.882 -15.008 1.00 0.00 O ATOM 281 OE2 GLU A 18 -1.429 -7.214 -16.406 1.00 0.00 O ATOM 0 H GLU A 18 2.574 -7.557 -12.465 1.00 0.00 H new ATOM 0 HA GLU A 18 1.085 -5.157 -12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.152 -7.129 -14.480 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.463 -8.138 -13.224 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.631 -6.874 -13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.948 -5.752 -14.459 1.00 0.00 H new ATOM 288 N ASP A 19 0.162 -7.006 -10.421 1.00 0.00 N ATOM 289 CA ASP A 19 -0.784 -7.067 -9.301 1.00 0.00 C ATOM 290 C ASP A 19 -0.208 -6.453 -8.028 1.00 0.00 C ATOM 291 O ASP A 19 -0.867 -6.433 -6.989 1.00 0.00 O ATOM 292 CB ASP A 19 -1.238 -8.512 -9.041 1.00 0.00 C ATOM 293 CG ASP A 19 -0.083 -9.483 -8.895 1.00 0.00 C ATOM 294 OD1 ASP A 19 0.566 -9.785 -9.913 1.00 0.00 O ATOM 295 OD2 ASP A 19 0.167 -9.973 -7.774 1.00 0.00 O ATOM 0 H ASP A 19 0.900 -7.710 -10.394 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.652 -6.474 -9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.843 -8.538 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.877 -8.838 -9.861 1.00 0.00 H new ATOM 300 N GLU A 20 1.008 -5.937 -8.113 1.00 0.00 N ATOM 301 CA GLU A 20 1.610 -5.234 -6.988 1.00 0.00 C ATOM 302 C GLU A 20 1.462 -3.727 -7.174 1.00 0.00 C ATOM 303 O GLU A 20 1.415 -3.234 -8.304 1.00 0.00 O ATOM 304 CB GLU A 20 3.083 -5.618 -6.831 1.00 0.00 C ATOM 305 CG GLU A 20 3.292 -6.957 -6.143 1.00 0.00 C ATOM 306 CD GLU A 20 4.757 -7.331 -6.006 1.00 0.00 C ATOM 307 OE1 GLU A 20 5.604 -6.420 -5.890 1.00 0.00 O ATOM 308 OE2 GLU A 20 5.069 -8.542 -6.024 1.00 0.00 O ATOM 0 H GLU A 20 1.596 -5.990 -8.945 1.00 0.00 H new ATOM 0 HA GLU A 20 1.089 -5.527 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.549 -5.648 -7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.593 -4.842 -6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.837 -6.926 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.776 -7.734 -6.707 1.00 0.00 H new ATOM 315 N LEU A 21 1.393 -2.998 -6.071 1.00 0.00 N ATOM 316 CA LEU A 21 1.168 -1.563 -6.120 1.00 0.00 C ATOM 317 C LEU A 21 2.463 -0.813 -5.818 1.00 0.00 C ATOM 318 O LEU A 21 3.035 -0.952 -4.737 1.00 0.00 O ATOM 319 CB LEU A 21 0.079 -1.181 -5.111 1.00 0.00 C ATOM 320 CG LEU A 21 -0.741 0.070 -5.428 1.00 0.00 C ATOM 321 CD1 LEU A 21 -1.809 0.288 -4.367 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.137 1.305 -5.538 1.00 0.00 C ATOM 0 H LEU A 21 1.490 -3.378 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 21 0.839 -1.285 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.607 -2.023 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.550 -1.042 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.219 -0.090 -6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.384 1.182 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.475 -0.574 -4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.335 0.412 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.483 2.173 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.658 1.467 -4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.867 1.163 -6.335 1.00 0.00 H new ATOM 334 N SER A 22 2.927 -0.035 -6.789 1.00 0.00 N ATOM 335 CA SER A 22 4.125 0.778 -6.621 1.00 0.00 C ATOM 336 C SER A 22 3.865 1.924 -5.642 1.00 0.00 C ATOM 337 O SER A 22 3.232 2.924 -5.992 1.00 0.00 O ATOM 338 CB SER A 22 4.571 1.320 -7.978 1.00 0.00 C ATOM 339 OG SER A 22 3.501 1.974 -8.640 1.00 0.00 O ATOM 0 H SER A 22 2.488 0.050 -7.706 1.00 0.00 H new ATOM 0 HA SER A 22 4.920 0.157 -6.208 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.399 2.016 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.941 0.502 -8.597 1.00 0.00 H new ATOM 0 HG SER A 22 3.003 2.521 -7.996 1.00 0.00 H new ATOM 345 N LEU A 23 4.337 1.764 -4.416 1.00 0.00 N ATOM 346 CA LEU A 23 4.092 2.746 -3.371 1.00 0.00 C ATOM 347 C LEU A 23 5.147 3.843 -3.388 1.00 0.00 C ATOM 348 O LEU A 23 6.323 3.589 -3.649 1.00 0.00 O ATOM 349 CB LEU A 23 4.068 2.075 -1.998 1.00 0.00 C ATOM 350 CG LEU A 23 2.982 1.024 -1.809 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.042 0.476 -0.392 1.00 0.00 C ATOM 352 CD2 LEU A 23 1.609 1.617 -2.098 1.00 0.00 C ATOM 0 H LEU A 23 4.893 0.962 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 23 3.119 3.198 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.037 1.608 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.942 2.845 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 23 3.151 0.207 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.264 -0.276 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.018 0.023 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.887 1.288 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.845 0.852 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.420 2.447 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.577 1.977 -3.126 1.00 0.00 H new ATOM 364 N ILE A 24 4.715 5.058 -3.101 1.00 0.00 N ATOM 365 CA ILE A 24 5.594 6.210 -3.096 1.00 0.00 C ATOM 366 C ILE A 24 5.715 6.769 -1.695 1.00 0.00 C ATOM 367 O ILE A 24 4.726 7.203 -1.107 1.00 0.00 O ATOM 368 CB ILE A 24 5.074 7.327 -4.022 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.004 6.831 -5.467 1.00 0.00 C ATOM 370 CG2 ILE A 24 5.948 8.572 -3.906 1.00 0.00 C ATOM 371 CD1 ILE A 24 6.344 6.417 -6.048 1.00 0.00 C ATOM 0 H ILE A 24 3.746 5.272 -2.865 1.00 0.00 H new ATOM 0 HA ILE A 24 6.566 5.874 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 24 4.066 7.599 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.322 5.982 -5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.578 7.618 -6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.564 9.349 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.934 8.932 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.971 8.326 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.206 6.078 -7.075 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.025 7.268 -6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.764 5.607 -5.452 1.00 0.00 H new ATOM 383 N LYS A 25 6.917 6.739 -1.161 1.00 0.00 N ATOM 384 CA LYS A 25 7.185 7.359 0.124 1.00 0.00 C ATOM 385 C LYS A 25 6.743 8.818 0.096 1.00 0.00 C ATOM 386 O LYS A 25 7.225 9.609 -0.719 1.00 0.00 O ATOM 387 CB LYS A 25 8.677 7.265 0.442 1.00 0.00 C ATOM 388 CG LYS A 25 9.117 8.115 1.623 1.00 0.00 C ATOM 389 CD LYS A 25 10.615 8.015 1.841 1.00 0.00 C ATOM 390 CE LYS A 25 11.106 9.080 2.803 1.00 0.00 C ATOM 391 NZ LYS A 25 12.581 9.045 2.954 1.00 0.00 N ATOM 0 H LYS A 25 7.725 6.293 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 25 6.625 6.837 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.929 6.224 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.244 7.565 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.840 9.155 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.593 7.792 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.862 7.028 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.131 8.119 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.800 10.063 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.637 8.935 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.880 9.787 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.871 8.115 3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.029 9.208 2.030 1.00 0.00 H new ATOM 405 N GLY A 26 5.832 9.168 0.988 1.00 0.00 N ATOM 406 CA GLY A 26 5.325 10.521 1.022 1.00 0.00 C ATOM 407 C GLY A 26 3.867 10.625 0.614 1.00 0.00 C ATOM 408 O GLY A 26 3.241 11.668 0.812 1.00 0.00 O ATOM 0 H GLY A 26 5.435 8.541 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.443 10.921 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.926 11.144 0.359 1.00 0.00 H new ATOM 412 N THR A 27 3.317 9.557 0.047 1.00 0.00 N ATOM 413 CA THR A 27 1.940 9.586 -0.437 1.00 0.00 C ATOM 414 C THR A 27 1.008 8.788 0.472 1.00 0.00 C ATOM 415 O THR A 27 1.434 8.250 1.497 1.00 0.00 O ATOM 416 CB THR A 27 1.835 9.038 -1.874 1.00 0.00 C ATOM 417 OG1 THR A 27 2.304 7.684 -1.931 1.00 0.00 O ATOM 418 CG2 THR A 27 2.637 9.902 -2.833 1.00 0.00 C ATOM 0 H THR A 27 3.798 8.668 -0.088 1.00 0.00 H new ATOM 0 HA THR A 27 1.632 10.631 -0.431 1.00 0.00 H new ATOM 0 HB THR A 27 0.786 9.061 -2.171 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.253 7.656 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.552 9.500 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.251 10.921 -2.814 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.684 9.905 -2.531 1.00 0.00 H new ATOM 426 N LYS A 28 -0.261 8.710 0.083 1.00 0.00 N ATOM 427 CA LYS A 28 -1.271 7.997 0.854 1.00 0.00 C ATOM 428 C LYS A 28 -2.065 7.049 -0.045 1.00 0.00 C ATOM 429 O LYS A 28 -2.447 7.415 -1.158 1.00 0.00 O ATOM 430 CB LYS A 28 -2.221 8.996 1.515 1.00 0.00 C ATOM 431 CG LYS A 28 -3.325 8.349 2.331 1.00 0.00 C ATOM 432 CD LYS A 28 -4.446 9.332 2.636 1.00 0.00 C ATOM 433 CE LYS A 28 -5.109 9.838 1.362 1.00 0.00 C ATOM 434 NZ LYS A 28 -6.239 10.760 1.649 1.00 0.00 N ATOM 0 H LYS A 28 -0.616 9.138 -0.772 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.769 7.410 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.644 9.657 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.671 9.619 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.728 7.495 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.912 7.966 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.192 8.850 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.048 10.176 3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.369 10.352 0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.472 8.990 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.661 11.080 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.958 10.263 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.889 11.583 2.181 1.00 0.00 H new ATOM 448 N VAL A 29 -2.312 5.838 0.436 1.00 0.00 N ATOM 449 CA VAL A 29 -3.085 4.860 -0.319 1.00 0.00 C ATOM 450 C VAL A 29 -4.399 4.544 0.396 1.00 0.00 C ATOM 451 O VAL A 29 -4.576 4.875 1.572 1.00 0.00 O ATOM 452 CB VAL A 29 -2.293 3.550 -0.561 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.888 3.866 -1.045 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.244 2.685 0.694 1.00 0.00 C ATOM 0 H VAL A 29 -1.988 5.509 1.346 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.298 5.306 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.814 2.982 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.343 2.937 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.942 4.427 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.370 4.462 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.681 1.775 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.758 3.238 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.258 2.423 0.995 1.00 0.00 H new ATOM 464 N ILE A 30 -5.316 3.921 -0.326 1.00 0.00 N ATOM 465 CA ILE A 30 -6.615 3.553 0.218 1.00 0.00 C ATOM 466 C ILE A 30 -6.684 2.046 0.447 1.00 0.00 C ATOM 467 O ILE A 30 -6.890 1.280 -0.495 1.00 0.00 O ATOM 468 CB ILE A 30 -7.754 3.964 -0.740 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.654 5.453 -1.074 1.00 0.00 C ATOM 470 CG2 ILE A 30 -9.114 3.637 -0.131 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.883 6.369 0.112 1.00 0.00 C ATOM 0 H ILE A 30 -5.183 3.657 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.738 4.079 1.165 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.652 3.395 -1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.668 5.656 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.383 5.690 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.903 3.934 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.181 2.565 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.231 4.177 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.795 7.407 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.880 6.197 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.139 6.162 0.881 1.00 0.00 H new ATOM 483 N VAL A 31 -6.497 1.611 1.684 1.00 0.00 N ATOM 484 CA VAL A 31 -6.538 0.188 1.993 1.00 0.00 C ATOM 485 C VAL A 31 -7.979 -0.293 2.044 1.00 0.00 C ATOM 486 O VAL A 31 -8.679 -0.087 3.033 1.00 0.00 O ATOM 487 CB VAL A 31 -5.858 -0.148 3.335 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.608 -1.643 3.422 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.560 0.625 3.508 1.00 0.00 C ATOM 0 H VAL A 31 -6.317 2.216 2.485 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.989 -0.319 1.200 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.525 0.151 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.127 -1.877 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.557 -2.175 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.960 -1.952 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.106 0.365 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.874 0.370 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.768 1.695 3.484 1.00 0.00 H new ATOM 499 N MET A 32 -8.423 -0.924 0.972 1.00 0.00 N ATOM 500 CA MET A 32 -9.801 -1.369 0.868 1.00 0.00 C ATOM 501 C MET A 32 -9.993 -2.719 1.544 1.00 0.00 C ATOM 502 O MET A 32 -11.028 -2.971 2.165 1.00 0.00 O ATOM 503 CB MET A 32 -10.203 -1.458 -0.597 1.00 0.00 C ATOM 504 CG MET A 32 -10.176 -0.114 -1.298 1.00 0.00 C ATOM 505 SD MET A 32 -10.108 -0.269 -3.090 1.00 0.00 S ATOM 506 CE MET A 32 -8.690 -1.349 -3.257 1.00 0.00 C ATOM 0 H MET A 32 -7.847 -1.140 0.158 1.00 0.00 H new ATOM 0 HA MET A 32 -10.436 -0.643 1.376 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.531 -2.144 -1.112 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.206 -1.880 -0.669 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.063 0.455 -1.020 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.312 0.454 -0.953 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.123 -1.071 -4.145 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.054 -1.254 -2.377 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.028 -2.381 -3.351 1.00 0.00 H new ATOM 516 N GLU A 33 -8.988 -3.578 1.427 1.00 0.00 N ATOM 517 CA GLU A 33 -9.078 -4.937 1.933 1.00 0.00 C ATOM 518 C GLU A 33 -7.778 -5.328 2.629 1.00 0.00 C ATOM 519 O GLU A 33 -6.690 -5.064 2.114 1.00 0.00 O ATOM 520 CB GLU A 33 -9.373 -5.880 0.767 1.00 0.00 C ATOM 521 CG GLU A 33 -9.711 -7.301 1.176 1.00 0.00 C ATOM 522 CD GLU A 33 -10.263 -8.100 0.016 1.00 0.00 C ATOM 523 OE1 GLU A 33 -9.468 -8.684 -0.746 1.00 0.00 O ATOM 524 OE2 GLU A 33 -11.501 -8.118 -0.153 1.00 0.00 O ATOM 0 H GLU A 33 -8.098 -3.353 0.983 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.883 -5.006 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.204 -5.474 0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.506 -5.902 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.817 -7.791 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.441 -7.283 1.986 1.00 0.00 H new ATOM 531 N LYS A 34 -7.892 -5.948 3.795 1.00 0.00 N ATOM 532 CA LYS A 34 -6.721 -6.277 4.596 1.00 0.00 C ATOM 533 C LYS A 34 -6.655 -7.756 4.941 1.00 0.00 C ATOM 534 O LYS A 34 -7.648 -8.481 4.865 1.00 0.00 O ATOM 535 CB LYS A 34 -6.707 -5.478 5.902 1.00 0.00 C ATOM 536 CG LYS A 34 -6.501 -3.992 5.724 1.00 0.00 C ATOM 537 CD LYS A 34 -6.373 -3.307 7.069 1.00 0.00 C ATOM 538 CE LYS A 34 -5.942 -1.868 6.911 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.904 -1.152 8.209 1.00 0.00 N ATOM 0 H LYS A 34 -8.781 -6.233 4.207 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.856 -6.018 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.650 -5.642 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.916 -5.868 6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.604 -3.812 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.339 -3.567 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.328 -3.348 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.649 -3.841 7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.955 -1.834 6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.628 -1.357 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.958 -0.127 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.710 -1.451 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.017 -1.376 8.703 1.00 0.00 H new ATOM 553 N CYS A 35 -5.462 -8.177 5.321 1.00 0.00 N ATOM 554 CA CYS A 35 -5.229 -9.489 5.886 1.00 0.00 C ATOM 555 C CYS A 35 -4.326 -9.318 7.103 1.00 0.00 C ATOM 556 O CYS A 35 -3.440 -8.460 7.096 1.00 0.00 O ATOM 557 CB CYS A 35 -4.578 -10.413 4.850 1.00 0.00 C ATOM 558 SG CYS A 35 -4.337 -12.112 5.421 1.00 0.00 S ATOM 0 H CYS A 35 -4.619 -7.608 5.244 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.173 -9.948 6.182 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.197 -10.427 3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.612 -9.997 4.565 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.068 -12.335 5.597 1.00 0.00 H new ATOM 564 N SER A 36 -4.565 -10.093 8.150 1.00 0.00 N ATOM 565 CA SER A 36 -3.795 -9.972 9.382 1.00 0.00 C ATOM 566 C SER A 36 -2.312 -10.239 9.129 1.00 0.00 C ATOM 567 O SER A 36 -1.444 -9.553 9.672 1.00 0.00 O ATOM 568 CB SER A 36 -4.345 -10.940 10.427 1.00 0.00 C ATOM 569 OG SER A 36 -5.744 -10.769 10.577 1.00 0.00 O ATOM 0 H SER A 36 -5.287 -10.814 8.173 1.00 0.00 H new ATOM 0 HA SER A 36 -3.889 -8.952 9.755 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.128 -11.966 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.848 -10.773 11.383 1.00 0.00 H new ATOM 0 HG SER A 36 -6.080 -11.398 11.249 1.00 0.00 H new ATOM 575 N ASP A 37 -2.034 -11.216 8.279 1.00 0.00 N ATOM 576 CA ASP A 37 -0.665 -11.592 7.962 1.00 0.00 C ATOM 577 C ASP A 37 -0.504 -11.800 6.461 1.00 0.00 C ATOM 578 O ASP A 37 -1.108 -12.706 5.884 1.00 0.00 O ATOM 579 CB ASP A 37 -0.276 -12.868 8.713 1.00 0.00 C ATOM 580 CG ASP A 37 1.098 -13.379 8.323 1.00 0.00 C ATOM 581 OD1 ASP A 37 2.103 -12.869 8.862 1.00 0.00 O ATOM 582 OD2 ASP A 37 1.181 -14.302 7.483 1.00 0.00 O ATOM 0 H ASP A 37 -2.743 -11.766 7.794 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.005 -10.784 8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.297 -12.674 9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.017 -13.642 8.515 1.00 0.00 H new ATOM 587 N GLY A 38 0.289 -10.950 5.827 1.00 0.00 N ATOM 588 CA GLY A 38 0.541 -11.102 4.410 1.00 0.00 C ATOM 589 C GLY A 38 0.512 -9.781 3.669 1.00 0.00 C ATOM 590 O GLY A 38 1.273 -8.867 3.987 1.00 0.00 O ATOM 0 H GLY A 38 0.761 -10.160 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.513 -11.574 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.205 -11.771 3.982 1.00 0.00 H new ATOM 594 N TRP A 39 -0.385 -9.676 2.698 1.00 0.00 N ATOM 595 CA TRP A 39 -0.457 -8.503 1.838 1.00 0.00 C ATOM 596 C TRP A 39 -1.791 -7.784 2.008 1.00 0.00 C ATOM 597 O TRP A 39 -2.803 -8.401 2.349 1.00 0.00 O ATOM 598 CB TRP A 39 -0.280 -8.913 0.371 1.00 0.00 C ATOM 599 CG TRP A 39 1.079 -9.468 0.054 1.00 0.00 C ATOM 600 CD1 TRP A 39 1.608 -10.654 0.480 1.00 0.00 C ATOM 601 CD2 TRP A 39 2.075 -8.862 -0.776 1.00 0.00 C ATOM 602 NE1 TRP A 39 2.877 -10.812 -0.024 1.00 0.00 N ATOM 603 CE2 TRP A 39 3.186 -9.727 -0.800 1.00 0.00 C ATOM 604 CE3 TRP A 39 2.134 -7.667 -1.498 1.00 0.00 C ATOM 605 CZ2 TRP A 39 4.342 -9.433 -1.521 1.00 0.00 C ATOM 606 CZ3 TRP A 39 3.278 -7.376 -2.212 1.00 0.00 C ATOM 607 CH2 TRP A 39 4.371 -8.256 -2.218 1.00 0.00 C ATOM 0 H TRP A 39 -1.077 -10.394 2.485 1.00 0.00 H new ATOM 0 HA TRP A 39 0.345 -7.823 2.126 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -1.034 -9.659 0.119 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.465 -8.046 -0.263 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.103 -11.363 1.119 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.489 -11.609 0.152 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.298 -6.983 -1.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.184 -10.109 -1.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.333 -6.456 -2.775 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.254 -7.999 -2.785 1.00 0.00 H new ATOM 618 N TRP A 40 -1.779 -6.476 1.781 1.00 0.00 N ATOM 619 CA TRP A 40 -2.999 -5.680 1.802 1.00 0.00 C ATOM 620 C TRP A 40 -3.347 -5.232 0.392 1.00 0.00 C ATOM 621 O TRP A 40 -2.462 -4.888 -0.392 1.00 0.00 O ATOM 622 CB TRP A 40 -2.842 -4.451 2.707 1.00 0.00 C ATOM 623 CG TRP A 40 -2.880 -4.767 4.171 1.00 0.00 C ATOM 624 CD1 TRP A 40 -3.122 -5.981 4.738 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.689 -3.848 5.253 1.00 0.00 C ATOM 626 NE1 TRP A 40 -3.092 -5.879 6.106 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.828 -4.579 6.448 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.415 -2.480 5.328 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.700 -3.988 7.699 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -2.288 -1.895 6.573 1.00 0.00 C ATOM 631 CH2 TRP A 40 -2.433 -2.649 7.744 1.00 0.00 C ATOM 0 H TRP A 40 -0.933 -5.943 1.579 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.802 -6.301 2.200 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.897 -3.960 2.476 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.635 -3.740 2.478 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.310 -6.892 4.190 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.242 -6.646 6.761 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.305 -1.891 4.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.808 -4.567 8.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.073 -0.839 6.644 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.332 -2.162 8.703 1.00 0.00 H new ATOM 642 N ARG A 41 -4.631 -5.244 0.069 1.00 0.00 N ATOM 643 CA ARG A 41 -5.083 -4.787 -1.235 1.00 0.00 C ATOM 644 C ARG A 41 -5.630 -3.372 -1.127 1.00 0.00 C ATOM 645 O ARG A 41 -6.706 -3.140 -0.566 1.00 0.00 O ATOM 646 CB ARG A 41 -6.128 -5.739 -1.829 1.00 0.00 C ATOM 647 CG ARG A 41 -6.685 -5.265 -3.166 1.00 0.00 C ATOM 648 CD ARG A 41 -7.204 -6.418 -4.016 1.00 0.00 C ATOM 649 NE ARG A 41 -8.236 -7.207 -3.341 1.00 0.00 N ATOM 650 CZ ARG A 41 -9.240 -7.809 -3.980 1.00 0.00 C ATOM 651 NH1 ARG A 41 -9.418 -7.613 -5.286 1.00 0.00 N ATOM 652 NH2 ARG A 41 -10.076 -8.590 -3.307 1.00 0.00 N ATOM 0 H ARG A 41 -5.375 -5.564 0.689 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.230 -4.781 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.680 -6.724 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.949 -5.853 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.492 -4.554 -2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.907 -4.734 -3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.608 -6.022 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.372 -7.070 -4.281 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.184 -7.301 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.785 -7.001 -5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.187 -8.075 -5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.949 -8.728 -2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.845 -9.052 -3.792 1.00 0.00 H new ATOM 666 N GLY A 42 -4.873 -2.430 -1.656 1.00 0.00 N ATOM 667 CA GLY A 42 -5.244 -1.040 -1.562 1.00 0.00 C ATOM 668 C GLY A 42 -5.246 -0.357 -2.908 1.00 0.00 C ATOM 669 O GLY A 42 -4.830 -0.941 -3.910 1.00 0.00 O ATOM 0 H GLY A 42 -4.000 -2.606 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.235 -0.960 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.551 -0.525 -0.896 1.00 0.00 H new ATOM 673 N SER A 43 -5.728 0.871 -2.935 1.00 0.00 N ATOM 674 CA SER A 43 -5.781 1.650 -4.156 1.00 0.00 C ATOM 675 C SER A 43 -5.015 2.957 -3.997 1.00 0.00 C ATOM 676 O SER A 43 -5.071 3.601 -2.952 1.00 0.00 O ATOM 677 CB SER A 43 -7.240 1.911 -4.541 1.00 0.00 C ATOM 678 OG SER A 43 -8.022 2.260 -3.408 1.00 0.00 O ATOM 0 H SER A 43 -6.092 1.355 -2.114 1.00 0.00 H new ATOM 0 HA SER A 43 -5.305 1.084 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.285 2.714 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.658 1.022 -5.013 1.00 0.00 H new ATOM 0 HG SER A 43 -8.681 1.555 -3.236 1.00 0.00 H new ATOM 684 N TYR A 44 -4.275 3.327 -5.025 1.00 0.00 N ATOM 685 CA TYR A 44 -3.499 4.550 -5.017 1.00 0.00 C ATOM 686 C TYR A 44 -3.740 5.294 -6.325 1.00 0.00 C ATOM 687 O TYR A 44 -4.027 4.668 -7.344 1.00 0.00 O ATOM 688 CB TYR A 44 -2.012 4.212 -4.826 1.00 0.00 C ATOM 689 CG TYR A 44 -1.068 5.377 -5.011 1.00 0.00 C ATOM 690 CD1 TYR A 44 -1.187 6.529 -4.249 1.00 0.00 C ATOM 691 CD2 TYR A 44 -0.058 5.318 -5.959 1.00 0.00 C ATOM 692 CE1 TYR A 44 -0.332 7.594 -4.434 1.00 0.00 C ATOM 693 CE2 TYR A 44 0.806 6.376 -6.149 1.00 0.00 C ATOM 694 CZ TYR A 44 0.662 7.514 -5.386 1.00 0.00 C ATOM 695 OH TYR A 44 1.512 8.579 -5.580 1.00 0.00 O ATOM 0 H TYR A 44 -4.196 2.788 -5.887 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.804 5.193 -4.192 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.872 3.805 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.739 3.426 -5.530 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.961 6.593 -3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.054 4.427 -6.560 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.440 8.487 -3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.589 6.313 -6.890 1.00 0.00 H new ATOM 0 HH TYR A 44 2.155 8.360 -6.286 1.00 0.00 H new ATOM 705 N ASN A 45 -3.690 6.620 -6.293 1.00 0.00 N ATOM 706 CA ASN A 45 -3.893 7.410 -7.505 1.00 0.00 C ATOM 707 C ASN A 45 -2.849 7.048 -8.551 1.00 0.00 C ATOM 708 O ASN A 45 -1.691 7.449 -8.453 1.00 0.00 O ATOM 709 CB ASN A 45 -3.825 8.913 -7.215 1.00 0.00 C ATOM 710 CG ASN A 45 -4.112 9.744 -8.455 1.00 0.00 C ATOM 711 OD1 ASN A 45 -4.897 9.348 -9.317 1.00 0.00 O ATOM 712 ND2 ASN A 45 -3.477 10.898 -8.563 1.00 0.00 N ATOM 0 H ASN A 45 -3.513 7.168 -5.451 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.888 7.178 -7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.544 9.165 -6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.836 9.164 -6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.631 11.490 -9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.833 11.196 -7.830 1.00 0.00 H new ATOM 719 N GLY A 46 -3.261 6.262 -9.532 1.00 0.00 N ATOM 720 CA GLY A 46 -2.356 5.848 -10.579 1.00 0.00 C ATOM 721 C GLY A 46 -2.191 4.339 -10.649 1.00 0.00 C ATOM 722 O GLY A 46 -2.109 3.775 -11.740 1.00 0.00 O ATOM 0 H GLY A 46 -4.211 5.902 -9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.724 6.214 -11.537 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.382 6.309 -10.415 1.00 0.00 H new ATOM 726 N GLN A 47 -2.158 3.681 -9.488 1.00 0.00 N ATOM 727 CA GLN A 47 -1.911 2.240 -9.428 1.00 0.00 C ATOM 728 C GLN A 47 -2.743 1.585 -8.327 1.00 0.00 C ATOM 729 O GLN A 47 -3.056 2.208 -7.317 1.00 0.00 O ATOM 730 CB GLN A 47 -0.422 1.963 -9.196 1.00 0.00 C ATOM 731 CG GLN A 47 0.447 2.259 -10.407 1.00 0.00 C ATOM 732 CD GLN A 47 0.256 1.259 -11.535 1.00 0.00 C ATOM 733 OE1 GLN A 47 -0.819 0.683 -11.703 1.00 0.00 O ATOM 734 NE2 GLN A 47 1.295 1.058 -12.327 1.00 0.00 N ATOM 0 H GLN A 47 -2.299 4.122 -8.579 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.208 1.808 -10.384 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.076 2.564 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.295 0.918 -8.915 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.220 3.260 -10.774 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.494 2.261 -10.104 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.170 1.554 -12.156 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.222 0.407 -13.109 1.00 0.00 H new ATOM 743 N VAL A 48 -3.102 0.331 -8.525 1.00 0.00 N ATOM 744 CA VAL A 48 -3.906 -0.393 -7.559 1.00 0.00 C ATOM 745 C VAL A 48 -3.352 -1.807 -7.398 1.00 0.00 C ATOM 746 O VAL A 48 -2.684 -2.314 -8.297 1.00 0.00 O ATOM 747 CB VAL A 48 -5.384 -0.455 -8.013 1.00 0.00 C ATOM 748 CG1 VAL A 48 -5.599 -1.551 -9.048 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.314 -0.628 -6.825 1.00 0.00 C ATOM 0 H VAL A 48 -2.848 -0.210 -9.351 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.863 0.129 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.626 0.496 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.647 -1.569 -9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.976 -1.354 -9.921 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.328 -2.515 -8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.346 -0.668 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.070 -1.554 -6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.194 0.214 -6.143 1.00 0.00 H new ATOM 759 N GLY A 49 -3.596 -2.436 -6.257 1.00 0.00 N ATOM 760 CA GLY A 49 -3.182 -3.811 -6.094 1.00 0.00 C ATOM 761 C GLY A 49 -2.709 -4.123 -4.692 1.00 0.00 C ATOM 762 O GLY A 49 -3.176 -3.519 -3.723 1.00 0.00 O ATOM 0 H GLY A 49 -4.067 -2.024 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.015 -4.468 -6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.380 -4.029 -6.799 1.00 0.00 H new ATOM 766 N TRP A 50 -1.777 -5.059 -4.585 1.00 0.00 N ATOM 767 CA TRP A 50 -1.303 -5.533 -3.290 1.00 0.00 C ATOM 768 C TRP A 50 -0.032 -4.811 -2.865 1.00 0.00 C ATOM 769 O TRP A 50 0.817 -4.479 -3.697 1.00 0.00 O ATOM 770 CB TRP A 50 -1.035 -7.040 -3.336 1.00 0.00 C ATOM 771 CG TRP A 50 -2.225 -7.858 -3.733 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.554 -8.256 -4.994 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.240 -8.382 -2.869 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.715 -8.988 -4.970 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.154 -9.081 -3.677 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.463 -8.329 -1.489 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.275 -9.718 -3.154 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.575 -8.963 -0.972 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.468 -9.651 -1.802 1.00 0.00 C ATOM 0 H TRP A 50 -1.331 -5.509 -5.384 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.085 -5.322 -2.561 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.224 -7.233 -4.038 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.692 -7.368 -2.355 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.984 -8.029 -5.883 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.176 -9.396 -5.783 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.778 -7.802 -0.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -5.967 -10.246 -3.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.759 -8.928 0.092 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.327 -10.139 -1.366 1.00 0.00 H new ATOM 790 N PHE A 51 0.088 -4.578 -1.567 1.00 0.00 N ATOM 791 CA PHE A 51 1.286 -3.981 -0.999 1.00 0.00 C ATOM 792 C PHE A 51 1.562 -4.578 0.384 1.00 0.00 C ATOM 793 O PHE A 51 0.637 -5.028 1.067 1.00 0.00 O ATOM 794 CB PHE A 51 1.142 -2.452 -0.919 1.00 0.00 C ATOM 795 CG PHE A 51 0.089 -1.966 0.041 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.381 -1.818 1.386 1.00 0.00 C ATOM 797 CD2 PHE A 51 -1.188 -1.651 -0.400 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.574 -1.369 2.273 1.00 0.00 C ATOM 799 CE2 PHE A 51 -2.149 -1.201 0.485 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.842 -1.063 1.824 1.00 0.00 C ATOM 0 H PHE A 51 -0.636 -4.796 -0.883 1.00 0.00 H new ATOM 0 HA PHE A 51 2.133 -4.204 -1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.102 -2.025 -0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.911 -2.070 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.371 -2.058 1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.434 -1.759 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.330 -1.257 3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.139 -0.957 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.593 -0.716 2.518 1.00 0.00 H new ATOM 810 N PRO A 52 2.840 -4.623 0.801 1.00 0.00 N ATOM 811 CA PRO A 52 3.227 -5.144 2.117 1.00 0.00 C ATOM 812 C PRO A 52 2.810 -4.211 3.252 1.00 0.00 C ATOM 813 O PRO A 52 3.038 -3.000 3.192 1.00 0.00 O ATOM 814 CB PRO A 52 4.760 -5.246 2.039 1.00 0.00 C ATOM 815 CG PRO A 52 5.103 -5.053 0.598 1.00 0.00 C ATOM 816 CD PRO A 52 4.012 -4.197 0.026 1.00 0.00 C ATOM 0 HA PRO A 52 2.741 -6.095 2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.235 -4.487 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.107 -6.215 2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.075 -4.571 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.161 -6.010 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.220 -3.135 0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.878 -4.369 -1.042 1.00 0.00 H new ATOM 824 N SER A 53 2.221 -4.790 4.292 1.00 0.00 N ATOM 825 CA SER A 53 1.683 -4.027 5.415 1.00 0.00 C ATOM 826 C SER A 53 2.779 -3.315 6.216 1.00 0.00 C ATOM 827 O SER A 53 2.510 -2.350 6.930 1.00 0.00 O ATOM 828 CB SER A 53 0.889 -4.967 6.319 1.00 0.00 C ATOM 829 OG SER A 53 1.571 -6.202 6.484 1.00 0.00 O ATOM 0 H SER A 53 2.102 -5.799 4.382 1.00 0.00 H new ATOM 0 HA SER A 53 1.032 -3.249 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.734 -4.499 7.291 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.097 -5.145 5.890 1.00 0.00 H new ATOM 0 HG SER A 53 1.047 -6.790 7.068 1.00 0.00 H new ATOM 835 N ASN A 54 4.016 -3.780 6.085 1.00 0.00 N ATOM 836 CA ASN A 54 5.133 -3.198 6.832 1.00 0.00 C ATOM 837 C ASN A 54 5.592 -1.875 6.222 1.00 0.00 C ATOM 838 O ASN A 54 6.433 -1.181 6.794 1.00 0.00 O ATOM 839 CB ASN A 54 6.321 -4.168 6.892 1.00 0.00 C ATOM 840 CG ASN A 54 6.091 -5.344 7.827 1.00 0.00 C ATOM 841 OD1 ASN A 54 4.970 -5.827 7.986 1.00 0.00 O ATOM 842 ND2 ASN A 54 7.159 -5.812 8.453 1.00 0.00 N ATOM 0 H ASN A 54 4.274 -4.554 5.473 1.00 0.00 H new ATOM 0 HA ASN A 54 4.771 -3.008 7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.525 -4.544 5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.209 -3.624 7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.070 -6.600 9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.071 -5.384 8.295 1.00 0.00 H new ATOM 849 N TYR A 55 5.038 -1.514 5.073 1.00 0.00 N ATOM 850 CA TYR A 55 5.490 -0.324 4.365 1.00 0.00 C ATOM 851 C TYR A 55 4.418 0.760 4.330 1.00 0.00 C ATOM 852 O TYR A 55 4.494 1.691 3.525 1.00 0.00 O ATOM 853 CB TYR A 55 5.945 -0.692 2.948 1.00 0.00 C ATOM 854 CG TYR A 55 7.219 -1.506 2.938 1.00 0.00 C ATOM 855 CD1 TYR A 55 8.459 -0.883 2.899 1.00 0.00 C ATOM 856 CD2 TYR A 55 7.183 -2.893 2.988 1.00 0.00 C ATOM 857 CE1 TYR A 55 9.627 -1.621 2.914 1.00 0.00 C ATOM 858 CE2 TYR A 55 8.346 -3.638 2.999 1.00 0.00 C ATOM 859 CZ TYR A 55 9.565 -2.997 2.962 1.00 0.00 C ATOM 860 OH TYR A 55 10.726 -3.735 2.987 1.00 0.00 O ATOM 0 H TYR A 55 4.282 -2.022 4.614 1.00 0.00 H new ATOM 0 HA TYR A 55 6.339 0.086 4.912 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.155 -1.255 2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.097 0.220 2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.511 0.195 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.229 -3.398 3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 55 10.584 -1.122 2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.300 -4.716 3.036 1.00 0.00 H new ATOM 0 HH TYR A 55 10.506 -4.689 3.022 1.00 0.00 H new ATOM 870 N VAL A 56 3.438 0.664 5.222 1.00 0.00 N ATOM 871 CA VAL A 56 2.416 1.698 5.327 1.00 0.00 C ATOM 872 C VAL A 56 2.247 2.184 6.761 1.00 0.00 C ATOM 873 O VAL A 56 2.474 1.447 7.718 1.00 0.00 O ATOM 874 CB VAL A 56 1.049 1.245 4.778 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.074 1.226 3.258 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.667 -0.117 5.336 1.00 0.00 C ATOM 0 H VAL A 56 3.330 -0.111 5.876 1.00 0.00 H new ATOM 0 HA VAL A 56 2.773 2.522 4.709 1.00 0.00 H new ATOM 0 HB VAL A 56 0.291 1.959 5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.103 0.904 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.294 2.226 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.843 0.534 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.301 -0.416 4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.420 -0.851 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.608 -0.061 6.423 1.00 0.00 H new ATOM 886 N THR A 57 1.886 3.445 6.880 1.00 0.00 N ATOM 887 CA THR A 57 1.592 4.071 8.152 1.00 0.00 C ATOM 888 C THR A 57 0.218 4.728 8.088 1.00 0.00 C ATOM 889 O THR A 57 0.050 5.783 7.483 1.00 0.00 O ATOM 890 CB THR A 57 2.670 5.121 8.510 1.00 0.00 C ATOM 891 OG1 THR A 57 3.864 4.464 8.949 1.00 0.00 O ATOM 892 CG2 THR A 57 2.188 6.090 9.582 1.00 0.00 C ATOM 0 H THR A 57 1.787 4.074 6.083 1.00 0.00 H new ATOM 0 HA THR A 57 1.594 3.307 8.929 1.00 0.00 H new ATOM 0 HB THR A 57 2.877 5.700 7.610 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.543 5.134 9.172 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.976 6.810 9.803 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.304 6.618 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.938 5.536 10.487 1.00 0.00 H new ATOM 900 N GLU A 58 -0.768 4.081 8.679 1.00 0.00 N ATOM 901 CA GLU A 58 -2.127 4.591 8.651 1.00 0.00 C ATOM 902 C GLU A 58 -2.270 5.743 9.638 1.00 0.00 C ATOM 903 O GLU A 58 -2.312 6.911 9.254 1.00 0.00 O ATOM 904 CB GLU A 58 -3.104 3.463 8.972 1.00 0.00 C ATOM 905 CG GLU A 58 -2.853 2.237 8.121 1.00 0.00 C ATOM 906 CD GLU A 58 -3.903 1.169 8.290 1.00 0.00 C ATOM 907 OE1 GLU A 58 -3.852 0.427 9.294 1.00 0.00 O ATOM 908 OE2 GLU A 58 -4.781 1.053 7.412 1.00 0.00 O ATOM 0 H GLU A 58 -0.655 3.202 9.184 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.356 4.970 7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.017 3.197 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.125 3.811 8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.811 2.533 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.878 1.821 8.374 1.00 0.00 H new ATOM 915 N GLU A 59 -2.320 5.394 10.912 1.00 0.00 N ATOM 916 CA GLU A 59 -2.289 6.363 11.992 1.00 0.00 C ATOM 917 C GLU A 59 -1.845 5.656 13.261 1.00 0.00 C ATOM 918 O GLU A 59 -2.645 5.030 13.956 1.00 0.00 O ATOM 919 CB GLU A 59 -3.650 7.041 12.186 1.00 0.00 C ATOM 920 CG GLU A 59 -3.654 8.085 13.292 1.00 0.00 C ATOM 921 CD GLU A 59 -2.495 9.059 13.185 1.00 0.00 C ATOM 922 OE1 GLU A 59 -2.570 10.002 12.376 1.00 0.00 O ATOM 923 OE2 GLU A 59 -1.501 8.890 13.923 1.00 0.00 O ATOM 0 H GLU A 59 -2.384 4.426 11.227 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.582 7.154 11.742 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.949 7.513 11.250 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.397 6.280 12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.592 8.639 13.259 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.613 7.584 14.259 1.00 0.00 H new ATOM 930 N GLY A 60 -0.555 5.733 13.531 1.00 0.00 N ATOM 931 CA GLY A 60 0.030 4.943 14.588 1.00 0.00 C ATOM 932 C GLY A 60 0.815 3.785 14.015 1.00 0.00 C ATOM 933 O GLY A 60 0.339 3.094 13.111 1.00 0.00 O ATOM 0 H GLY A 60 0.102 6.333 13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.684 5.567 15.196 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.754 4.568 15.246 1.00 0.00 H new ATOM 937 N ASP A 61 2.013 3.581 14.522 1.00 0.00 N ATOM 938 CA ASP A 61 2.903 2.556 14.004 1.00 0.00 C ATOM 939 C ASP A 61 3.835 2.082 15.106 1.00 0.00 C ATOM 940 O ASP A 61 3.668 0.938 15.573 1.00 0.00 O ATOM 941 CB ASP A 61 3.701 3.103 12.815 1.00 0.00 C ATOM 942 CG ASP A 61 4.723 2.119 12.281 1.00 0.00 C ATOM 943 OD1 ASP A 61 4.322 1.116 11.658 1.00 0.00 O ATOM 944 OD2 ASP A 61 5.936 2.364 12.450 1.00 0.00 O ATOM 0 H ASP A 61 2.398 4.116 15.300 1.00 0.00 H new ATOM 0 HA ASP A 61 2.313 1.707 13.658 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.011 3.371 12.015 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.210 4.018 13.117 1.00 0.00 H new TER 949 ASP A 61