USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 149:sc= -1.49 (180deg=-4.01!) USER MOD Single : A 1 MET N :NH3+ -135:sc= -4.1! (180deg=-7.37!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 12 SER OG : rot 82:sc= 0.2 USER MOD Single : A 13 TYR OH : rot 65:sc= 0.218 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -108:sc= 0.0164 USER MOD Single : A 19 MET CE :methyl -179:sc= -5.8! (180deg=-6.1!) USER MOD Single : A 20 ASN : amide:sc= -0.718 X(o=-0.72,f=-0.39) USER MOD Single : A 22 ASN : amide:sc= -0.598 K(o=-0.6,f=-7.5!) USER MOD Single : A 31 ASN : amide:sc= -0.707 K(o=-0.71,f=-1.8) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -55:sc= 0.0146 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 41:sc= 1.03 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.330 -4.974 -1.436 1.00 0.00 N ATOM 2 CA MET A 1 11.517 -4.877 -2.679 1.00 0.00 C ATOM 3 C MET A 1 11.586 -6.170 -3.489 1.00 0.00 C ATOM 4 O MET A 1 10.654 -6.505 -4.220 1.00 0.00 O ATOM 5 CB MET A 1 12.032 -3.704 -3.518 1.00 0.00 C ATOM 6 CG MET A 1 12.191 -2.413 -2.731 1.00 0.00 C ATOM 7 SD MET A 1 10.653 -1.482 -2.608 1.00 0.00 S ATOM 8 CE MET A 1 9.775 -2.439 -1.375 1.00 0.00 C ATOM 0 H1 MET A 1 11.787 -4.593 -0.635 1.00 0.00 H new ATOM 0 H2 MET A 1 12.565 -5.970 -1.252 1.00 0.00 H new ATOM 0 H3 MET A 1 13.207 -4.427 -1.551 1.00 0.00 H new ATOM 0 HA MET A 1 10.475 -4.713 -2.406 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.994 -3.975 -3.953 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.345 -3.532 -4.346 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.552 -2.645 -1.729 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.950 -1.792 -3.208 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.126 -1.781 -0.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.172 -3.202 -1.868 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.492 -2.918 -0.708 1.00 0.00 H new ATOM 20 N ARG A 2 12.698 -6.889 -3.358 1.00 0.00 N ATOM 21 CA ARG A 2 12.889 -8.141 -4.083 1.00 0.00 C ATOM 22 C ARG A 2 12.223 -9.308 -3.359 1.00 0.00 C ATOM 23 O ARG A 2 11.461 -10.068 -3.956 1.00 0.00 O ATOM 24 CB ARG A 2 14.381 -8.425 -4.264 1.00 0.00 C ATOM 25 CG ARG A 2 15.169 -7.234 -4.786 1.00 0.00 C ATOM 26 CD ARG A 2 16.505 -7.665 -5.371 1.00 0.00 C ATOM 27 NE ARG A 2 17.353 -6.521 -5.701 1.00 0.00 N ATOM 28 CZ ARG A 2 18.433 -6.593 -6.481 1.00 0.00 C ATOM 29 NH1 ARG A 2 18.807 -7.751 -7.013 1.00 0.00 N ATOM 30 NH2 ARG A 2 19.142 -5.500 -6.727 1.00 0.00 N ATOM 0 H ARG A 2 13.479 -6.626 -2.757 1.00 0.00 H new ATOM 0 HA ARG A 2 12.421 -8.035 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 2 14.801 -8.737 -3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 2 14.502 -9.260 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 2 14.587 -6.716 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 2 15.337 -6.524 -3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 2 17.023 -8.306 -4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 2 16.333 -8.260 -6.268 1.00 0.00 H new ATOM 0 HE ARG A 2 17.104 -5.612 -5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 2 18.267 -8.596 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 2 19.634 -7.795 -7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 2 18.861 -4.608 -6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 2 19.968 -5.551 -7.323 1.00 0.00 H new ATOM 44 N LYS A 3 12.519 -9.450 -2.069 1.00 0.00 N ATOM 45 CA LYS A 3 11.949 -10.532 -1.271 1.00 0.00 C ATOM 46 C LYS A 3 11.843 -10.133 0.198 1.00 0.00 C ATOM 47 O LYS A 3 12.833 -10.152 0.930 1.00 0.00 O ATOM 48 CB LYS A 3 12.799 -11.796 -1.406 1.00 0.00 C ATOM 49 CG LYS A 3 12.459 -12.631 -2.628 1.00 0.00 C ATOM 50 CD LYS A 3 13.311 -13.888 -2.698 1.00 0.00 C ATOM 51 CE LYS A 3 12.666 -14.950 -3.573 1.00 0.00 C ATOM 52 NZ LYS A 3 13.679 -15.737 -4.331 1.00 0.00 N ATOM 0 H LYS A 3 13.148 -8.832 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 3 10.946 -10.733 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.851 -11.513 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.671 -12.407 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.405 -12.906 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.610 -12.037 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.296 -13.639 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.460 -14.284 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.075 -15.623 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.978 -14.475 -4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 13.198 -16.450 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 14.226 -15.099 -4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 14.320 -16.211 -3.664 1.00 0.00 H new ATOM 66 N LEU A 4 10.636 -9.772 0.620 1.00 0.00 N ATOM 67 CA LEU A 4 10.393 -9.368 2.001 1.00 0.00 C ATOM 68 C LEU A 4 9.216 -10.141 2.586 1.00 0.00 C ATOM 69 O LEU A 4 8.221 -10.386 1.903 1.00 0.00 O ATOM 70 CB LEU A 4 10.109 -7.862 2.090 1.00 0.00 C ATOM 71 CG LEU A 4 10.823 -6.981 1.056 1.00 0.00 C ATOM 72 CD1 LEU A 4 12.316 -7.292 1.014 1.00 0.00 C ATOM 73 CD2 LEU A 4 10.192 -7.151 -0.321 1.00 0.00 C ATOM 0 H LEU A 4 9.808 -9.751 0.024 1.00 0.00 H new ATOM 0 HA LEU A 4 11.292 -9.592 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.035 -7.708 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.388 -7.518 3.086 1.00 0.00 H new ATOM 0 HG LEU A 4 10.707 -5.940 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.800 -6.655 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.754 -7.106 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.462 -8.338 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.712 -6.518 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.270 -8.193 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.141 -6.863 -0.278 1.00 0.00 H new ATOM 85 N SER A 5 9.330 -10.512 3.855 1.00 0.00 N ATOM 86 CA SER A 5 8.269 -11.246 4.535 1.00 0.00 C ATOM 87 C SER A 5 7.011 -10.399 4.618 1.00 0.00 C ATOM 88 O SER A 5 7.069 -9.177 4.484 1.00 0.00 O ATOM 89 CB SER A 5 8.718 -11.651 5.940 1.00 0.00 C ATOM 90 OG SER A 5 10.074 -12.062 5.945 1.00 0.00 O ATOM 0 H SER A 5 10.146 -10.317 4.435 1.00 0.00 H new ATOM 0 HA SER A 5 8.051 -12.147 3.961 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.587 -10.812 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.088 -12.461 6.307 1.00 0.00 H new ATOM 0 HG SER A 5 10.336 -12.314 6.855 1.00 0.00 H new ATOM 96 N ASP A 6 5.868 -11.045 4.849 1.00 0.00 N ATOM 97 CA ASP A 6 4.601 -10.319 4.960 1.00 0.00 C ATOM 98 C ASP A 6 4.711 -9.238 6.030 1.00 0.00 C ATOM 99 O ASP A 6 4.054 -8.206 5.955 1.00 0.00 O ATOM 100 CB ASP A 6 3.427 -11.256 5.292 1.00 0.00 C ATOM 101 CG ASP A 6 3.521 -12.604 4.600 1.00 0.00 C ATOM 102 OD1 ASP A 6 4.177 -13.512 5.153 1.00 0.00 O ATOM 103 OD2 ASP A 6 2.938 -12.751 3.504 1.00 0.00 O ATOM 0 H ASP A 6 5.792 -12.056 4.962 1.00 0.00 H new ATOM 0 HA ASP A 6 4.400 -9.863 3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.388 -11.411 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.493 -10.773 5.006 1.00 0.00 H new ATOM 108 N GLU A 7 5.561 -9.481 7.021 1.00 0.00 N ATOM 109 CA GLU A 7 5.759 -8.521 8.095 1.00 0.00 C ATOM 110 C GLU A 7 6.457 -7.274 7.573 1.00 0.00 C ATOM 111 O GLU A 7 6.131 -6.159 7.970 1.00 0.00 O ATOM 112 CB GLU A 7 6.568 -9.151 9.234 1.00 0.00 C ATOM 113 CG GLU A 7 5.718 -9.563 10.425 1.00 0.00 C ATOM 114 CD GLU A 7 4.576 -10.481 10.037 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.629 -10.005 9.376 1.00 0.00 O ATOM 116 OE2 GLU A 7 4.631 -11.677 10.392 1.00 0.00 O ATOM 0 H GLU A 7 6.120 -10.330 7.101 1.00 0.00 H new ATOM 0 HA GLU A 7 4.783 -8.232 8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.095 -10.026 8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.326 -8.442 9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.348 -10.064 11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.315 -8.671 10.905 1.00 0.00 H new ATOM 123 N LEU A 8 7.413 -7.472 6.677 1.00 0.00 N ATOM 124 CA LEU A 8 8.157 -6.364 6.093 1.00 0.00 C ATOM 125 C LEU A 8 7.369 -5.701 4.970 1.00 0.00 C ATOM 126 O LEU A 8 7.417 -4.483 4.799 1.00 0.00 O ATOM 127 CB LEU A 8 9.504 -6.850 5.567 1.00 0.00 C ATOM 128 CG LEU A 8 10.628 -6.879 6.603 1.00 0.00 C ATOM 129 CD1 LEU A 8 11.103 -5.469 6.912 1.00 0.00 C ATOM 130 CD2 LEU A 8 10.178 -7.585 7.877 1.00 0.00 C ATOM 0 H LEU A 8 7.693 -8.392 6.337 1.00 0.00 H new ATOM 0 HA LEU A 8 8.324 -5.624 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.378 -7.854 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.808 -6.208 4.741 1.00 0.00 H new ATOM 0 HG LEU A 8 11.462 -7.441 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.903 -5.508 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.474 -5.002 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.273 -4.884 7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.996 -7.592 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.324 -7.058 8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.892 -8.610 7.643 1.00 0.00 H new ATOM 142 N LEU A 9 6.650 -6.513 4.203 1.00 0.00 N ATOM 143 CA LEU A 9 5.858 -6.005 3.091 1.00 0.00 C ATOM 144 C LEU A 9 4.589 -5.321 3.579 1.00 0.00 C ATOM 145 O LEU A 9 4.160 -4.317 3.009 1.00 0.00 O ATOM 146 CB LEU A 9 5.504 -7.138 2.126 1.00 0.00 C ATOM 147 CG LEU A 9 4.971 -6.684 0.766 1.00 0.00 C ATOM 148 CD1 LEU A 9 6.051 -5.946 -0.010 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.460 -7.876 -0.030 1.00 0.00 C ATOM 0 H LEU A 9 6.600 -7.524 4.331 1.00 0.00 H new ATOM 0 HA LEU A 9 6.462 -5.264 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.392 -7.750 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.757 -7.777 2.597 1.00 0.00 H new ATOM 0 HG LEU A 9 4.139 -5.999 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.654 -5.630 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.371 -5.070 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.903 -6.608 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.084 -7.535 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.273 -8.584 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.656 -8.363 0.521 1.00 0.00 H new ATOM 161 N ILE A 10 3.989 -5.862 4.630 1.00 0.00 N ATOM 162 CA ILE A 10 2.770 -5.287 5.175 1.00 0.00 C ATOM 163 C ILE A 10 3.072 -4.006 5.943 1.00 0.00 C ATOM 164 O ILE A 10 2.336 -3.025 5.842 1.00 0.00 O ATOM 165 CB ILE A 10 2.019 -6.300 6.066 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.555 -7.474 5.209 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.826 -5.656 6.771 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.190 -8.690 6.016 1.00 0.00 C ATOM 0 H ILE A 10 4.324 -6.692 5.119 1.00 0.00 H new ATOM 0 HA ILE A 10 2.118 -5.037 4.338 1.00 0.00 H new ATOM 0 HB ILE A 10 2.702 -6.652 6.839 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.692 -7.166 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.345 -7.737 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.323 -6.400 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.174 -4.837 7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.129 -5.270 6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.869 -9.488 5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.058 -9.022 6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.379 -8.442 6.701 1.00 0.00 H new ATOM 180 N GLU A 11 4.167 -4.009 6.691 1.00 0.00 N ATOM 181 CA GLU A 11 4.559 -2.830 7.447 1.00 0.00 C ATOM 182 C GLU A 11 4.834 -1.669 6.500 1.00 0.00 C ATOM 183 O GLU A 11 4.668 -0.511 6.869 1.00 0.00 O ATOM 184 CB GLU A 11 5.793 -3.118 8.307 1.00 0.00 C ATOM 185 CG GLU A 11 5.465 -3.401 9.765 1.00 0.00 C ATOM 186 CD GLU A 11 4.879 -4.782 9.975 1.00 0.00 C ATOM 187 OE1 GLU A 11 3.667 -4.957 9.727 1.00 0.00 O ATOM 188 OE2 GLU A 11 5.630 -5.690 10.389 1.00 0.00 O ATOM 0 H GLU A 11 4.794 -4.808 6.790 1.00 0.00 H new ATOM 0 HA GLU A 11 3.738 -2.559 8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.325 -3.973 7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.470 -2.265 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.371 -3.300 10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.760 -2.653 10.126 1.00 0.00 H new ATOM 195 N SER A 12 5.245 -1.988 5.273 1.00 0.00 N ATOM 196 CA SER A 12 5.526 -0.961 4.280 1.00 0.00 C ATOM 197 C SER A 12 4.222 -0.377 3.753 1.00 0.00 C ATOM 198 O SER A 12 4.072 0.839 3.640 1.00 0.00 O ATOM 199 CB SER A 12 6.355 -1.541 3.130 1.00 0.00 C ATOM 200 OG SER A 12 6.244 -2.953 3.083 1.00 0.00 O ATOM 0 H SER A 12 5.389 -2.944 4.948 1.00 0.00 H new ATOM 0 HA SER A 12 6.103 -0.165 4.751 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.019 -1.115 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.401 -1.259 3.253 1.00 0.00 H new ATOM 0 HG SER A 12 5.419 -3.201 2.616 1.00 0.00 H new ATOM 206 N TYR A 13 3.275 -1.258 3.451 1.00 0.00 N ATOM 207 CA TYR A 13 1.973 -0.837 2.957 1.00 0.00 C ATOM 208 C TYR A 13 1.222 -0.091 4.048 1.00 0.00 C ATOM 209 O TYR A 13 0.507 0.875 3.783 1.00 0.00 O ATOM 210 CB TYR A 13 1.158 -2.049 2.508 1.00 0.00 C ATOM 211 CG TYR A 13 -0.146 -1.686 1.836 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.161 -1.088 0.582 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.364 -1.940 2.455 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.351 -0.752 -0.034 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.558 -1.607 1.846 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.547 -1.014 0.601 1.00 0.00 C ATOM 217 OH TYR A 13 -3.734 -0.681 -0.010 1.00 0.00 O ATOM 0 H TYR A 13 3.386 -2.268 3.540 1.00 0.00 H new ATOM 0 HA TYR A 13 2.121 -0.175 2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.758 -2.645 1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.948 -2.676 3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.773 -0.882 0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.377 -2.406 3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.345 -0.286 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.496 -1.810 2.342 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.845 -1.216 -0.824 1.00 0.00 H new ATOM 227 N PHE A 14 1.396 -0.552 5.279 1.00 0.00 N ATOM 228 CA PHE A 14 0.745 0.059 6.428 1.00 0.00 C ATOM 229 C PHE A 14 1.429 1.371 6.801 1.00 0.00 C ATOM 230 O PHE A 14 0.766 2.361 7.118 1.00 0.00 O ATOM 231 CB PHE A 14 0.761 -0.918 7.610 1.00 0.00 C ATOM 232 CG PHE A 14 -0.157 -2.118 7.457 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.780 -2.411 6.247 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.387 -2.961 8.535 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.608 -3.512 6.120 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.212 -4.066 8.412 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.824 -4.341 7.203 1.00 0.00 C ATOM 0 H PHE A 14 1.986 -1.352 5.507 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.290 0.284 6.170 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.781 -1.275 7.755 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.481 -0.377 8.514 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.614 -1.769 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.084 -2.752 9.484 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.085 -3.723 5.174 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.378 -4.713 9.261 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.469 -5.202 7.106 1.00 0.00 H new ATOM 247 N LYS A 15 2.756 1.377 6.751 1.00 0.00 N ATOM 248 CA LYS A 15 3.530 2.569 7.072 1.00 0.00 C ATOM 249 C LYS A 15 3.296 3.658 6.034 1.00 0.00 C ATOM 250 O LYS A 15 3.049 4.814 6.376 1.00 0.00 O ATOM 251 CB LYS A 15 5.022 2.236 7.145 1.00 0.00 C ATOM 252 CG LYS A 15 5.445 1.623 8.471 1.00 0.00 C ATOM 253 CD LYS A 15 5.339 2.626 9.609 1.00 0.00 C ATOM 254 CE LYS A 15 4.084 2.400 10.440 1.00 0.00 C ATOM 255 NZ LYS A 15 3.451 3.684 10.852 1.00 0.00 N ATOM 0 H LYS A 15 3.319 0.567 6.490 1.00 0.00 H new ATOM 0 HA LYS A 15 3.200 2.934 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.271 1.546 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.598 3.146 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.820 0.757 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.471 1.264 8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.218 2.546 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.330 3.638 9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.369 1.811 9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.336 1.819 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.600 3.486 11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.124 4.235 11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.187 4.228 10.006 1.00 0.00 H new ATOM 269 N ALA A 16 3.381 3.279 4.763 1.00 0.00 N ATOM 270 CA ALA A 16 3.189 4.221 3.667 1.00 0.00 C ATOM 271 C ALA A 16 1.762 4.755 3.629 1.00 0.00 C ATOM 272 O ALA A 16 1.540 5.919 3.300 1.00 0.00 O ATOM 273 CB ALA A 16 3.546 3.567 2.342 1.00 0.00 C ATOM 0 H ALA A 16 3.582 2.324 4.467 1.00 0.00 H new ATOM 0 HA ALA A 16 3.854 5.068 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.398 4.281 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.589 3.251 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.907 2.699 2.181 1.00 0.00 H new ATOM 279 N THR A 17 0.796 3.908 3.964 1.00 0.00 N ATOM 280 CA THR A 17 -0.601 4.322 3.962 1.00 0.00 C ATOM 281 C THR A 17 -0.856 5.351 5.059 1.00 0.00 C ATOM 282 O THR A 17 -1.697 6.237 4.913 1.00 0.00 O ATOM 283 CB THR A 17 -1.522 3.116 4.147 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.043 2.271 5.179 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.671 2.278 2.897 1.00 0.00 C ATOM 0 H THR A 17 0.953 2.938 4.238 1.00 0.00 H new ATOM 0 HA THR A 17 -0.818 4.779 2.997 1.00 0.00 H new ATOM 0 HB THR A 17 -2.496 3.534 4.401 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.682 1.449 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.337 1.439 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.089 2.889 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.695 1.901 2.593 1.00 0.00 H new ATOM 293 N GLU A 18 -0.123 5.221 6.162 1.00 0.00 N ATOM 294 CA GLU A 18 -0.268 6.133 7.291 1.00 0.00 C ATOM 295 C GLU A 18 0.367 7.489 6.997 1.00 0.00 C ATOM 296 O GLU A 18 -0.226 8.536 7.262 1.00 0.00 O ATOM 297 CB GLU A 18 0.359 5.518 8.546 1.00 0.00 C ATOM 298 CG GLU A 18 -0.661 4.933 9.510 1.00 0.00 C ATOM 299 CD GLU A 18 -0.882 5.809 10.728 1.00 0.00 C ATOM 300 OE1 GLU A 18 -0.741 7.043 10.606 1.00 0.00 O ATOM 301 OE2 GLU A 18 -1.194 5.259 11.805 1.00 0.00 O ATOM 0 H GLU A 18 0.578 4.492 6.297 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.333 6.292 7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.056 4.735 8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.940 6.281 9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.609 4.794 8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.327 3.947 9.832 1.00 0.00 H new ATOM 308 N MET A 19 1.578 7.462 6.461 1.00 0.00 N ATOM 309 CA MET A 19 2.305 8.683 6.142 1.00 0.00 C ATOM 310 C MET A 19 1.887 9.268 4.791 1.00 0.00 C ATOM 311 O MET A 19 2.220 10.409 4.475 1.00 0.00 O ATOM 312 CB MET A 19 3.805 8.398 6.136 1.00 0.00 C ATOM 313 CG MET A 19 4.258 7.491 5.003 1.00 0.00 C ATOM 314 SD MET A 19 6.053 7.386 4.872 1.00 0.00 S ATOM 315 CE MET A 19 6.301 5.625 5.076 1.00 0.00 C ATOM 0 H MET A 19 2.081 6.603 6.237 1.00 0.00 H new ATOM 0 HA MET A 19 2.064 9.420 6.908 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.344 9.343 6.068 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.081 7.941 7.086 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.850 6.492 5.157 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.850 7.860 4.062 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.367 5.401 5.037 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.899 5.310 6.039 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.788 5.090 4.276 1.00 0.00 H new ATOM 325 N ASN A 20 1.178 8.476 3.986 1.00 0.00 N ATOM 326 CA ASN A 20 0.739 8.910 2.659 1.00 0.00 C ATOM 327 C ASN A 20 1.920 8.915 1.698 1.00 0.00 C ATOM 328 O ASN A 20 2.044 9.795 0.845 1.00 0.00 O ATOM 329 CB ASN A 20 0.090 10.299 2.707 1.00 0.00 C ATOM 330 CG ASN A 20 -0.865 10.455 3.875 1.00 0.00 C ATOM 331 OD1 ASN A 20 -1.979 9.931 3.856 1.00 0.00 O ATOM 332 ND2 ASN A 20 -0.433 11.180 4.900 1.00 0.00 N ATOM 0 H ASN A 20 0.895 7.527 4.231 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.013 8.204 2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.869 11.058 2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.448 10.477 1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.032 11.321 5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.498 11.596 4.874 1.00 0.00 H new ATOM 339 N LEU A 21 2.789 7.917 1.850 1.00 0.00 N ATOM 340 CA LEU A 21 3.978 7.775 1.011 1.00 0.00 C ATOM 341 C LEU A 21 3.599 7.783 -0.472 1.00 0.00 C ATOM 342 O LEU A 21 2.447 7.531 -0.822 1.00 0.00 O ATOM 343 CB LEU A 21 4.701 6.470 1.364 1.00 0.00 C ATOM 344 CG LEU A 21 6.207 6.447 1.085 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.902 5.449 2.002 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.484 6.119 -0.381 1.00 0.00 C ATOM 0 H LEU A 21 2.690 7.187 2.555 1.00 0.00 H new ATOM 0 HA LEU A 21 4.642 8.619 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.543 6.264 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.235 5.656 0.808 1.00 0.00 H new ATOM 0 HG LEU A 21 6.608 7.440 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.971 5.445 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.738 5.734 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.494 4.453 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.560 6.109 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.068 5.140 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.021 6.874 -1.016 1.00 0.00 H new ATOM 358 N ASN A 22 4.576 8.081 -1.334 1.00 0.00 N ATOM 359 CA ASN A 22 4.361 8.133 -2.789 1.00 0.00 C ATOM 360 C ASN A 22 3.460 7.000 -3.286 1.00 0.00 C ATOM 361 O ASN A 22 3.588 5.853 -2.855 1.00 0.00 O ATOM 362 CB ASN A 22 5.704 8.078 -3.519 1.00 0.00 C ATOM 363 CG ASN A 22 5.611 8.595 -4.942 1.00 0.00 C ATOM 364 OD1 ASN A 22 4.534 8.616 -5.536 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.743 9.014 -5.494 1.00 0.00 N ATOM 0 H ASN A 22 5.532 8.292 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 22 3.856 9.074 -3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.438 8.667 -2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.065 7.050 -3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.743 9.372 -6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.613 8.978 -4.963 1.00 0.00 H new ATOM 372 N ARG A 23 2.541 7.339 -4.185 1.00 0.00 N ATOM 373 CA ARG A 23 1.603 6.365 -4.738 1.00 0.00 C ATOM 374 C ARG A 23 2.327 5.190 -5.384 1.00 0.00 C ATOM 375 O ARG A 23 1.824 4.067 -5.377 1.00 0.00 O ATOM 376 CB ARG A 23 0.688 7.037 -5.763 1.00 0.00 C ATOM 377 CG ARG A 23 -0.487 6.172 -6.189 1.00 0.00 C ATOM 378 CD ARG A 23 -1.592 6.177 -5.146 1.00 0.00 C ATOM 379 NE ARG A 23 -2.920 6.224 -5.756 1.00 0.00 N ATOM 380 CZ ARG A 23 -4.049 6.425 -5.075 1.00 0.00 C ATOM 381 NH1 ARG A 23 -4.024 6.600 -3.758 1.00 0.00 N ATOM 382 NH2 ARG A 23 -5.210 6.451 -5.716 1.00 0.00 N ATOM 0 H ARG A 23 2.425 8.285 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 23 1.005 5.979 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.309 7.969 -5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.274 7.299 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.881 6.534 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.146 5.150 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.509 5.285 -4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.465 7.036 -4.487 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.987 6.095 -6.766 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.135 6.581 -3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.894 6.753 -3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.238 6.317 -6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.075 6.604 -5.198 1.00 0.00 H new ATOM 396 N ASP A 24 3.499 5.448 -5.946 1.00 0.00 N ATOM 397 CA ASP A 24 4.268 4.397 -6.598 1.00 0.00 C ATOM 398 C ASP A 24 4.741 3.356 -5.590 1.00 0.00 C ATOM 399 O ASP A 24 4.790 2.164 -5.893 1.00 0.00 O ATOM 400 CB ASP A 24 5.464 4.990 -7.346 1.00 0.00 C ATOM 401 CG ASP A 24 5.740 4.276 -8.653 1.00 0.00 C ATOM 402 OD1 ASP A 24 4.924 4.412 -9.589 1.00 0.00 O ATOM 403 OD2 ASP A 24 6.775 3.581 -8.744 1.00 0.00 O ATOM 0 H ASP A 24 3.936 6.369 -5.964 1.00 0.00 H new ATOM 0 HA ASP A 24 3.614 3.903 -7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.278 6.046 -7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.349 4.936 -6.712 1.00 0.00 H new ATOM 408 N PHE A 25 5.072 3.808 -4.387 1.00 0.00 N ATOM 409 CA PHE A 25 5.520 2.908 -3.336 1.00 0.00 C ATOM 410 C PHE A 25 4.330 2.129 -2.801 1.00 0.00 C ATOM 411 O PHE A 25 4.389 0.913 -2.634 1.00 0.00 O ATOM 412 CB PHE A 25 6.191 3.692 -2.207 1.00 0.00 C ATOM 413 CG PHE A 25 7.178 2.880 -1.418 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.260 2.282 -2.044 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.025 2.715 -0.050 1.00 0.00 C ATOM 416 CE1 PHE A 25 9.170 1.535 -1.320 1.00 0.00 C ATOM 417 CE2 PHE A 25 7.932 1.969 0.678 1.00 0.00 C ATOM 418 CZ PHE A 25 9.006 1.378 0.042 1.00 0.00 C ATOM 0 H PHE A 25 5.038 4.791 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 25 6.252 2.214 -3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.700 4.558 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.423 4.071 -1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.394 2.401 -3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.187 3.175 0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.009 1.074 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.801 1.848 1.743 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.716 0.794 0.609 1.00 0.00 H new ATOM 428 N ILE A 26 3.240 2.848 -2.558 1.00 0.00 N ATOM 429 CA ILE A 26 2.014 2.239 -2.067 1.00 0.00 C ATOM 430 C ILE A 26 1.499 1.214 -3.075 1.00 0.00 C ATOM 431 O ILE A 26 1.138 0.097 -2.707 1.00 0.00 O ATOM 432 CB ILE A 26 0.937 3.316 -1.791 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.407 4.247 -0.666 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.408 2.681 -1.435 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.384 5.291 -0.261 1.00 0.00 C ATOM 0 H ILE A 26 3.183 3.857 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 26 2.232 1.731 -1.128 1.00 0.00 H new ATOM 0 HB ILE A 26 0.795 3.898 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.662 3.646 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.320 4.751 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.142 3.465 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.746 2.058 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.295 2.068 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.792 5.909 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.146 5.919 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.522 4.796 0.089 1.00 0.00 H new ATOM 447 N GLU A 27 1.481 1.596 -4.347 1.00 0.00 N ATOM 448 CA GLU A 27 1.025 0.698 -5.396 1.00 0.00 C ATOM 449 C GLU A 27 2.013 -0.447 -5.573 1.00 0.00 C ATOM 450 O GLU A 27 1.629 -1.573 -5.892 1.00 0.00 O ATOM 451 CB GLU A 27 0.851 1.455 -6.713 1.00 0.00 C ATOM 452 CG GLU A 27 -0.314 0.957 -7.552 1.00 0.00 C ATOM 453 CD GLU A 27 0.017 0.892 -9.029 1.00 0.00 C ATOM 454 OE1 GLU A 27 0.954 1.597 -9.460 1.00 0.00 O ATOM 455 OE2 GLU A 27 -0.659 0.135 -9.758 1.00 0.00 O ATOM 0 H GLU A 27 1.775 2.516 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 27 0.058 0.287 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.706 2.514 -6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.769 1.371 -7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.609 -0.034 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.171 1.615 -7.404 1.00 0.00 H new ATOM 462 N LEU A 28 3.288 -0.149 -5.353 1.00 0.00 N ATOM 463 CA LEU A 28 4.342 -1.145 -5.472 1.00 0.00 C ATOM 464 C LEU A 28 4.208 -2.184 -4.364 1.00 0.00 C ATOM 465 O LEU A 28 4.276 -3.387 -4.615 1.00 0.00 O ATOM 466 CB LEU A 28 5.714 -0.442 -5.431 1.00 0.00 C ATOM 467 CG LEU A 28 6.917 -1.300 -5.013 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.199 -0.740 -5.611 1.00 0.00 C ATOM 469 CD2 LEU A 28 7.025 -1.359 -3.498 1.00 0.00 C ATOM 0 H LEU A 28 3.617 0.780 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 28 4.254 -1.668 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.916 -0.032 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.643 0.402 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 28 6.769 -2.312 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.043 -1.358 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.123 -0.740 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.350 0.280 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.883 -1.971 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.154 -0.351 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.116 -1.797 -3.085 1.00 0.00 H new ATOM 481 N ILE A 29 3.998 -1.713 -3.140 1.00 0.00 N ATOM 482 CA ILE A 29 3.835 -2.607 -2.008 1.00 0.00 C ATOM 483 C ILE A 29 2.507 -3.347 -2.114 1.00 0.00 C ATOM 484 O ILE A 29 2.390 -4.498 -1.699 1.00 0.00 O ATOM 485 CB ILE A 29 3.893 -1.846 -0.667 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.151 -0.979 -0.598 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.860 -2.822 0.496 1.00 0.00 C ATOM 488 CD1 ILE A 29 4.947 0.324 0.147 1.00 0.00 C ATOM 0 H ILE A 29 3.937 -0.721 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 29 4.660 -3.320 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 29 3.021 -1.196 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.946 -1.545 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.488 -0.760 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.902 -2.270 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.939 -3.403 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.716 -3.494 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.880 0.888 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.174 0.910 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.640 0.113 1.171 1.00 0.00 H new ATOM 500 N GLU A 30 1.513 -2.678 -2.691 1.00 0.00 N ATOM 501 CA GLU A 30 0.195 -3.271 -2.871 1.00 0.00 C ATOM 502 C GLU A 30 0.207 -4.252 -4.038 1.00 0.00 C ATOM 503 O GLU A 30 -0.511 -5.251 -4.031 1.00 0.00 O ATOM 504 CB GLU A 30 -0.851 -2.183 -3.116 1.00 0.00 C ATOM 505 CG GLU A 30 -2.263 -2.595 -2.730 1.00 0.00 C ATOM 506 CD GLU A 30 -3.319 -1.689 -3.332 1.00 0.00 C ATOM 507 OE1 GLU A 30 -3.014 -1.005 -4.332 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.450 -1.665 -2.805 1.00 0.00 O ATOM 0 H GLU A 30 1.597 -1.724 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.065 -3.811 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.575 -1.292 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.837 -1.909 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.440 -3.620 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.357 -2.585 -1.644 1.00 0.00 H new ATOM 515 N ASN A 31 1.029 -3.954 -5.042 1.00 0.00 N ATOM 516 CA ASN A 31 1.139 -4.802 -6.223 1.00 0.00 C ATOM 517 C ASN A 31 1.810 -6.126 -5.885 1.00 0.00 C ATOM 518 O ASN A 31 1.497 -7.160 -6.474 1.00 0.00 O ATOM 519 CB ASN A 31 1.919 -4.075 -7.320 1.00 0.00 C ATOM 520 CG ASN A 31 1.033 -3.178 -8.161 1.00 0.00 C ATOM 521 OD1 ASN A 31 -0.109 -2.898 -7.798 1.00 0.00 O ATOM 522 ND2 ASN A 31 1.557 -2.723 -9.294 1.00 0.00 N ATOM 0 H ASN A 31 1.629 -3.129 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 31 0.134 -5.017 -6.585 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.709 -3.477 -6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.405 -4.808 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.008 -2.116 -9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.509 -2.981 -9.556 1.00 0.00 H new ATOM 529 N GLU A 32 2.720 -6.093 -4.920 1.00 0.00 N ATOM 530 CA GLU A 32 3.418 -7.298 -4.495 1.00 0.00 C ATOM 531 C GLU A 32 2.517 -8.102 -3.571 1.00 0.00 C ATOM 532 O GLU A 32 2.367 -9.314 -3.725 1.00 0.00 O ATOM 533 CB GLU A 32 4.724 -6.941 -3.783 1.00 0.00 C ATOM 534 CG GLU A 32 5.709 -8.097 -3.701 1.00 0.00 C ATOM 535 CD GLU A 32 7.116 -7.698 -4.105 1.00 0.00 C ATOM 536 OE1 GLU A 32 7.256 -6.900 -5.056 1.00 0.00 O ATOM 537 OE2 GLU A 32 8.076 -8.183 -3.471 1.00 0.00 O ATOM 0 H GLU A 32 2.991 -5.247 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 32 3.663 -7.896 -5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.196 -6.109 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.496 -6.597 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.724 -8.484 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.367 -8.907 -4.345 1.00 0.00 H new ATOM 544 N ILE A 33 1.899 -7.403 -2.628 1.00 0.00 N ATOM 545 CA ILE A 33 0.980 -8.021 -1.686 1.00 0.00 C ATOM 546 C ILE A 33 -0.208 -8.618 -2.440 1.00 0.00 C ATOM 547 O ILE A 33 -0.771 -9.632 -2.027 1.00 0.00 O ATOM 548 CB ILE A 33 0.500 -6.978 -0.640 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.679 -6.516 0.217 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.608 -7.523 0.258 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.392 -5.264 1.014 1.00 0.00 C ATOM 0 H ILE A 33 2.020 -6.399 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 33 1.495 -8.822 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 33 0.088 -6.134 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.956 -7.317 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.539 -6.337 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.908 -6.756 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.465 -7.806 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.242 -8.397 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.272 -4.995 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.144 -4.449 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.552 -5.444 1.685 1.00 0.00 H new ATOM 563 N LYS A 34 -0.578 -7.985 -3.551 1.00 0.00 N ATOM 564 CA LYS A 34 -1.690 -8.460 -4.362 1.00 0.00 C ATOM 565 C LYS A 34 -1.309 -9.743 -5.092 1.00 0.00 C ATOM 566 O LYS A 34 -2.038 -10.733 -5.051 1.00 0.00 O ATOM 567 CB LYS A 34 -2.105 -7.382 -5.368 1.00 0.00 C ATOM 568 CG LYS A 34 -3.290 -6.550 -4.910 1.00 0.00 C ATOM 569 CD LYS A 34 -3.597 -5.430 -5.890 1.00 0.00 C ATOM 570 CE LYS A 34 -4.479 -4.365 -5.260 1.00 0.00 C ATOM 571 NZ LYS A 34 -5.440 -3.787 -6.239 1.00 0.00 N ATOM 0 H LYS A 34 -0.124 -7.144 -3.907 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.533 -8.674 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.257 -6.722 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.350 -7.858 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.165 -7.190 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.081 -6.128 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.666 -4.978 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.092 -5.841 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.029 -4.797 -4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.854 -3.570 -4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.022 -3.065 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.916 -3.351 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.054 -4.540 -6.609 1.00 0.00 H new ATOM 585 N ARG A 35 -0.154 -9.722 -5.749 1.00 0.00 N ATOM 586 CA ARG A 35 0.330 -10.889 -6.474 1.00 0.00 C ATOM 587 C ARG A 35 0.759 -11.989 -5.506 1.00 0.00 C ATOM 588 O ARG A 35 0.775 -13.169 -5.858 1.00 0.00 O ATOM 589 CB ARG A 35 1.501 -10.505 -7.381 1.00 0.00 C ATOM 590 CG ARG A 35 1.563 -11.312 -8.670 1.00 0.00 C ATOM 591 CD ARG A 35 1.146 -10.483 -9.876 1.00 0.00 C ATOM 592 NE ARG A 35 1.729 -10.991 -11.116 1.00 0.00 N ATOM 593 CZ ARG A 35 1.289 -12.071 -11.763 1.00 0.00 C ATOM 594 NH1 ARG A 35 0.258 -12.767 -11.295 1.00 0.00 N ATOM 595 NH2 ARG A 35 1.884 -12.457 -12.884 1.00 0.00 N ATOM 0 H ARG A 35 0.463 -8.911 -5.794 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.486 -11.268 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.426 -9.446 -7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.434 -10.639 -6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.577 -11.684 -8.818 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.913 -12.183 -8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.059 -10.484 -9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.453 -9.448 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 35 2.523 -10.488 -11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.204 -12.477 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.071 -13.592 -11.797 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.676 -11.928 -13.249 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.549 -13.283 -13.381 1.00 0.00 H new ATOM 609 N ARG A 36 1.107 -11.595 -4.280 1.00 0.00 N ATOM 610 CA ARG A 36 1.537 -12.542 -3.259 1.00 0.00 C ATOM 611 C ARG A 36 0.351 -13.195 -2.540 1.00 0.00 C ATOM 612 O ARG A 36 0.542 -13.926 -1.569 1.00 0.00 O ATOM 613 CB ARG A 36 2.426 -11.829 -2.238 1.00 0.00 C ATOM 614 CG ARG A 36 3.888 -11.760 -2.645 1.00 0.00 C ATOM 615 CD ARG A 36 4.744 -11.121 -1.561 1.00 0.00 C ATOM 616 NE ARG A 36 6.009 -11.829 -1.376 1.00 0.00 N ATOM 617 CZ ARG A 36 6.139 -12.958 -0.678 1.00 0.00 C ATOM 618 NH1 ARG A 36 5.086 -13.518 -0.093 1.00 0.00 N ATOM 619 NH2 ARG A 36 7.330 -13.531 -0.565 1.00 0.00 N ATOM 0 H ARG A 36 1.098 -10.622 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 36 2.096 -13.333 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.052 -10.816 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.348 -12.343 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.255 -12.765 -2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.982 -11.188 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.945 -10.082 -1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.192 -11.112 -0.621 1.00 0.00 H new ATOM 0 HE ARG A 36 6.845 -11.435 -1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.166 -13.084 -0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.197 -14.382 0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.144 -13.108 -1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.432 -14.394 -0.032 1.00 0.00 H new ATOM 633 N SER A 37 -0.875 -12.931 -3.003 1.00 0.00 N ATOM 634 CA SER A 37 -2.060 -13.504 -2.371 1.00 0.00 C ATOM 635 C SER A 37 -2.168 -13.030 -0.925 1.00 0.00 C ATOM 636 O SER A 37 -2.660 -13.750 -0.055 1.00 0.00 O ATOM 637 CB SER A 37 -2.009 -15.033 -2.417 1.00 0.00 C ATOM 638 OG SER A 37 -3.307 -15.589 -2.301 1.00 0.00 O ATOM 0 H SER A 37 -1.068 -12.331 -3.804 1.00 0.00 H new ATOM 0 HA SER A 37 -2.939 -13.168 -2.922 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.553 -15.357 -3.353 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.377 -15.404 -1.610 1.00 0.00 H new ATOM 0 HG SER A 37 -3.737 -15.250 -1.488 1.00 0.00 H new ATOM 644 N LEU A 38 -1.698 -11.813 -0.684 1.00 0.00 N ATOM 645 CA LEU A 38 -1.725 -11.217 0.644 1.00 0.00 C ATOM 646 C LEU A 38 -2.587 -9.951 0.654 1.00 0.00 C ATOM 647 O LEU A 38 -2.444 -9.101 1.530 1.00 0.00 O ATOM 648 CB LEU A 38 -0.293 -10.895 1.074 1.00 0.00 C ATOM 649 CG LEU A 38 -0.107 -10.542 2.550 1.00 0.00 C ATOM 650 CD1 LEU A 38 0.181 -11.795 3.363 1.00 0.00 C ATOM 651 CD2 LEU A 38 1.015 -9.524 2.714 1.00 0.00 C ATOM 0 H LEU A 38 -1.289 -11.214 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.166 -11.924 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.338 -11.753 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.069 -10.062 0.472 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.031 -10.098 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.311 -11.527 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.653 -12.491 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.092 -12.267 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.136 -9.282 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.945 -9.942 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.768 -8.618 2.161 1.00 0.00 H new ATOM 663 N GLY A 39 -3.489 -9.831 -0.326 1.00 0.00 N ATOM 664 CA GLY A 39 -4.356 -8.668 -0.403 1.00 0.00 C ATOM 665 C GLY A 39 -5.450 -8.666 0.653 1.00 0.00 C ATOM 666 O GLY A 39 -6.204 -7.700 0.763 1.00 0.00 O ATOM 0 H GLY A 39 -3.631 -10.520 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.754 -7.766 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.814 -8.629 -1.391 1.00 0.00 H new ATOM 670 N HIS A 40 -5.546 -9.740 1.435 1.00 0.00 N ATOM 671 CA HIS A 40 -6.556 -9.825 2.479 1.00 0.00 C ATOM 672 C HIS A 40 -6.028 -9.229 3.779 1.00 0.00 C ATOM 673 O HIS A 40 -6.787 -8.666 4.570 1.00 0.00 O ATOM 674 CB HIS A 40 -6.978 -11.273 2.697 1.00 0.00 C ATOM 675 CG HIS A 40 -8.053 -11.437 3.727 1.00 0.00 C ATOM 676 ND1 HIS A 40 -9.279 -10.811 3.642 1.00 0.00 N ATOM 677 CD2 HIS A 40 -8.080 -12.160 4.873 1.00 0.00 C ATOM 678 CE1 HIS A 40 -10.012 -11.141 4.691 1.00 0.00 C ATOM 679 NE2 HIS A 40 -9.308 -11.958 5.451 1.00 0.00 N ATOM 0 H HIS A 40 -4.939 -10.557 1.364 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.428 -9.253 2.161 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.327 -11.687 1.751 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.107 -11.855 2.998 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.284 -12.779 5.259 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.017 -10.800 4.892 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.625 -12.373 6.327 1.00 0.00 H new ATOM 688 N ILE A 41 -4.718 -9.346 3.989 1.00 0.00 N ATOM 689 CA ILE A 41 -4.084 -8.811 5.186 1.00 0.00 C ATOM 690 C ILE A 41 -4.268 -7.290 5.222 1.00 0.00 C ATOM 691 O ILE A 41 -4.495 -6.692 6.275 1.00 0.00 O ATOM 692 CB ILE A 41 -2.570 -9.194 5.225 1.00 0.00 C ATOM 693 CG1 ILE A 41 -2.061 -9.271 6.664 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.707 -8.227 4.413 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.843 -10.238 7.522 1.00 0.00 C ATOM 0 H ILE A 41 -4.077 -9.807 3.343 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.556 -9.244 6.068 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.484 -10.179 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.012 -9.569 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.107 -8.279 7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.663 -8.535 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.031 -8.236 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.811 -7.220 4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.431 -10.245 8.531 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.888 -9.929 7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.776 -11.239 7.096 1.00 0.00 H new ATOM 707 N ILE A 42 -4.167 -6.691 4.039 1.00 0.00 N ATOM 708 CA ILE A 42 -4.318 -5.250 3.872 1.00 0.00 C ATOM 709 C ILE A 42 -5.764 -4.826 4.086 1.00 0.00 C ATOM 710 O ILE A 42 -6.677 -5.649 4.031 1.00 0.00 O ATOM 711 CB ILE A 42 -3.871 -4.788 2.462 1.00 0.00 C ATOM 712 CG1 ILE A 42 -4.469 -5.676 1.366 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.360 -4.773 2.359 1.00 0.00 C ATOM 714 CD1 ILE A 42 -4.139 -5.210 -0.036 1.00 0.00 C ATOM 0 H ILE A 42 -3.978 -7.191 3.170 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.680 -4.780 4.620 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.243 -3.774 2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.105 -6.695 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.552 -5.706 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.067 -4.446 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.952 -4.087 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.973 -5.776 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.594 -5.885 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.527 -4.202 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.058 -5.207 -0.173 1.00 0.00 H new ATOM 726 N SER A 43 -5.971 -3.533 4.317 1.00 0.00 N ATOM 727 CA SER A 43 -7.313 -3.003 4.521 1.00 0.00 C ATOM 728 C SER A 43 -7.984 -2.748 3.173 1.00 0.00 C ATOM 729 O SER A 43 -8.344 -1.617 2.843 1.00 0.00 O ATOM 730 CB SER A 43 -7.259 -1.712 5.342 1.00 0.00 C ATOM 731 OG SER A 43 -8.535 -1.387 5.866 1.00 0.00 O ATOM 0 H SER A 43 -5.228 -2.836 4.367 1.00 0.00 H new ATOM 0 HA SER A 43 -7.900 -3.737 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.546 -1.826 6.158 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.900 -0.894 4.717 1.00 0.00 H new ATOM 0 HG SER A 43 -8.473 -0.560 6.387 1.00 0.00 H new ATOM 737 N VAL A 44 -8.129 -3.813 2.392 1.00 0.00 N ATOM 738 CA VAL A 44 -8.732 -3.722 1.072 1.00 0.00 C ATOM 739 C VAL A 44 -9.939 -4.642 0.953 1.00 0.00 C ATOM 740 O VAL A 44 -9.981 -5.710 1.564 1.00 0.00 O ATOM 741 CB VAL A 44 -7.708 -4.093 -0.017 1.00 0.00 C ATOM 742 CG1 VAL A 44 -8.274 -3.856 -1.405 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.423 -3.308 0.177 1.00 0.00 C ATOM 0 H VAL A 44 -7.834 -4.754 2.655 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.058 -2.691 0.933 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.485 -5.156 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.529 -4.127 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.166 -4.467 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.535 -2.804 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.709 -3.581 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.636 -2.241 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.000 -3.538 1.155 1.00 0.00 H new ATOM 753 N SER A 45 -10.918 -4.227 0.156 1.00 0.00 N ATOM 754 CA SER A 45 -12.118 -5.025 -0.048 1.00 0.00 C ATOM 755 C SER A 45 -12.136 -5.618 -1.452 1.00 0.00 C ATOM 756 O SER A 45 -12.659 -5.012 -2.388 1.00 0.00 O ATOM 757 CB SER A 45 -13.368 -4.170 0.171 1.00 0.00 C ATOM 758 OG SER A 45 -13.431 -3.108 -0.765 1.00 0.00 O ATOM 0 H SER A 45 -10.903 -3.345 -0.357 1.00 0.00 H new ATOM 0 HA SER A 45 -12.113 -5.840 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.258 -4.792 0.080 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.363 -3.766 1.184 1.00 0.00 H new ATOM 0 HG SER A 45 -13.159 -3.434 -1.648 1.00 0.00 H new ATOM 764 N SER A 46 -11.559 -6.807 -1.590 1.00 0.00 N ATOM 765 CA SER A 46 -11.507 -7.487 -2.878 1.00 0.00 C ATOM 766 C SER A 46 -12.877 -8.041 -3.256 1.00 0.00 C ATOM 767 O SER A 46 -13.154 -8.157 -4.469 1.00 0.00 O ATOM 768 CB SER A 46 -10.478 -8.618 -2.843 1.00 0.00 C ATOM 769 OG SER A 46 -9.187 -8.145 -3.183 1.00 0.00 O ATOM 770 OXT SER A 46 -13.661 -8.355 -2.336 1.00 0.00 O ATOM 0 H SER A 46 -11.121 -7.320 -0.825 1.00 0.00 H new ATOM 0 HA SER A 46 -11.208 -6.759 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.455 -9.062 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.774 -9.405 -3.537 1.00 0.00 H new ATOM 0 HG SER A 46 -8.548 -8.887 -3.151 1.00 0.00 H new TER 776 SER A 46