USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 510 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 15 TYR OH : rot -161:sc= 2.48 USER MOD Set 1.2: A 57 TYR OH : rot -79:sc= 0.584 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.847 (180deg=-0.157) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 51:sc= 0.106 USER MOD Single : A 24 THR OG1 : rot 90:sc= -0.463 USER MOD Single : A 25 MET CE :methyl -130:sc= -0.305 (180deg=-1.33) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= -0.119 (180deg=-2.68!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00163 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= 1.11 F(o=-0.046,f=1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0.205 (180deg=0.163) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= 0.00869 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 156:sc= -0.369 (180deg=-0.815) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.249 4.637 0.374 1.00 23.44 N ATOM 2 CA MET A 1 -0.884 4.125 0.439 1.00 54.52 C ATOM 3 C MET A 1 0.053 4.967 -0.421 1.00 52.15 C ATOM 4 O MET A 1 0.258 4.676 -1.600 1.00 30.11 O ATOM 5 CB MET A 1 -0.842 2.666 -0.018 1.00 23.12 C ATOM 6 CG MET A 1 -1.778 1.758 0.762 1.00 32.53 C ATOM 7 SD MET A 1 -3.405 1.615 -0.003 1.00 2.24 S ATOM 8 CE MET A 1 -3.151 0.205 -1.078 1.00 11.42 C ATOM 0 H1 MET A 1 -2.469 5.152 1.251 1.00 23.44 H new ATOM 0 H2 MET A 1 -2.340 5.281 -0.438 1.00 23.44 H new ATOM 0 H3 MET A 1 -2.912 3.844 0.263 1.00 23.44 H new ATOM 0 HA MET A 1 -0.549 4.183 1.475 1.00 54.52 H new ATOM 0 HB2 MET A 1 -1.100 2.618 -1.076 1.00 23.12 H new ATOM 0 HB3 MET A 1 0.177 2.293 0.079 1.00 23.12 H new ATOM 0 HG2 MET A 1 -1.331 0.767 0.845 1.00 32.53 H new ATOM 0 HG3 MET A 1 -1.890 2.143 1.776 1.00 32.53 H new ATOM 0 HE1 MET A 1 -4.071 -0.009 -1.621 1.00 11.42 H new ATOM 0 HE2 MET A 1 -2.354 0.427 -1.787 1.00 11.42 H new ATOM 0 HE3 MET A 1 -2.873 -0.663 -0.480 1.00 11.42 H new ATOM 18 N ASP A 2 0.618 6.011 0.175 1.00 40.03 N ATOM 19 CA ASP A 2 1.534 6.895 -0.537 1.00 61.53 C ATOM 20 C ASP A 2 0.825 7.598 -1.690 1.00 13.31 C ATOM 21 O ASP A 2 -0.309 7.263 -2.030 1.00 33.01 O ATOM 22 CB ASP A 2 2.732 6.104 -1.066 1.00 32.41 C ATOM 23 CG ASP A 2 3.194 5.035 -0.095 1.00 30.10 C ATOM 24 OD1 ASP A 2 3.478 5.377 1.072 1.00 75.31 O ATOM 25 OD2 ASP A 2 3.273 3.857 -0.502 1.00 60.23 O ATOM 0 H ASP A 2 0.458 6.266 1.150 1.00 40.03 H new ATOM 0 HA ASP A 2 1.888 7.651 0.164 1.00 61.53 H new ATOM 0 HB2 ASP A 2 2.466 5.638 -2.015 1.00 32.41 H new ATOM 0 HB3 ASP A 2 3.556 6.789 -1.267 1.00 32.41 H new ATOM 30 N GLU A 3 1.501 8.576 -2.286 1.00 34.32 N ATOM 31 CA GLU A 3 0.933 9.328 -3.399 1.00 21.42 C ATOM 32 C GLU A 3 2.018 10.102 -4.141 1.00 50.53 C ATOM 33 O GLU A 3 2.242 11.285 -3.881 1.00 13.22 O ATOM 34 CB GLU A 3 -0.144 10.291 -2.896 1.00 2.30 C ATOM 35 CG GLU A 3 -1.039 10.832 -3.998 1.00 34.10 C ATOM 36 CD GLU A 3 -2.490 10.942 -3.569 1.00 42.45 C ATOM 37 OE1 GLU A 3 -2.823 11.903 -2.845 1.00 34.12 O ATOM 38 OE2 GLU A 3 -3.291 10.068 -3.960 1.00 32.53 O ATOM 0 H GLU A 3 2.441 8.866 -2.017 1.00 34.32 H new ATOM 0 HA GLU A 3 0.480 8.618 -4.091 1.00 21.42 H new ATOM 0 HB2 GLU A 3 -0.761 9.779 -2.157 1.00 2.30 H new ATOM 0 HB3 GLU A 3 0.337 11.126 -2.387 1.00 2.30 H new ATOM 0 HG2 GLU A 3 -0.679 11.814 -4.304 1.00 34.10 H new ATOM 0 HG3 GLU A 3 -0.970 10.181 -4.870 1.00 34.10 H new ATOM 45 N THR A 4 2.691 9.427 -5.068 1.00 75.01 N ATOM 46 CA THR A 4 3.753 10.050 -5.847 1.00 71.34 C ATOM 47 C THR A 4 4.923 10.453 -4.958 1.00 3.01 C ATOM 48 O THR A 4 5.199 11.638 -4.778 1.00 10.35 O ATOM 49 CB THR A 4 3.243 11.293 -6.600 1.00 53.01 C ATOM 50 OG1 THR A 4 1.919 11.058 -7.094 1.00 65.32 O ATOM 51 CG2 THR A 4 4.167 11.642 -7.757 1.00 12.52 C ATOM 0 H THR A 4 2.519 8.448 -5.297 1.00 75.01 H new ATOM 0 HA THR A 4 4.089 9.308 -6.572 1.00 71.34 H new ATOM 0 HB THR A 4 3.227 12.131 -5.903 1.00 53.01 H new ATOM 0 HG1 THR A 4 1.601 11.854 -7.570 1.00 65.32 H new ATOM 0 HG21 THR A 4 3.786 12.523 -8.274 1.00 12.52 H new ATOM 0 HG22 THR A 4 5.166 11.849 -7.375 1.00 12.52 H new ATOM 0 HG23 THR A 4 4.211 10.804 -8.453 1.00 12.52 H new ATOM 59 N GLY A 5 5.610 9.458 -4.404 1.00 1.32 N ATOM 60 CA GLY A 5 6.744 9.731 -3.540 1.00 32.32 C ATOM 61 C GLY A 5 7.265 8.482 -2.856 1.00 13.21 C ATOM 62 O GLY A 5 8.264 7.903 -3.282 1.00 30.42 O ATOM 0 H GLY A 5 5.402 8.469 -4.538 1.00 1.32 H new ATOM 0 HA2 GLY A 5 7.545 10.181 -4.127 1.00 32.32 H new ATOM 0 HA3 GLY A 5 6.454 10.461 -2.785 1.00 32.32 H new ATOM 66 N LYS A 6 6.588 8.067 -1.791 1.00 34.31 N ATOM 67 CA LYS A 6 6.987 6.879 -1.045 1.00 41.11 C ATOM 68 C LYS A 6 6.564 5.609 -1.777 1.00 12.34 C ATOM 69 O LYS A 6 5.380 5.399 -2.038 1.00 50.14 O ATOM 70 CB LYS A 6 6.373 6.902 0.357 1.00 63.44 C ATOM 71 CG LYS A 6 7.267 6.291 1.422 1.00 63.21 C ATOM 72 CD LYS A 6 6.846 6.721 2.817 1.00 31.20 C ATOM 73 CE LYS A 6 5.617 5.959 3.288 1.00 75.24 C ATOM 74 NZ LYS A 6 5.737 5.536 4.710 1.00 10.04 N ATOM 0 H LYS A 6 5.760 8.536 -1.425 1.00 34.31 H new ATOM 0 HA LYS A 6 8.074 6.882 -0.959 1.00 41.11 H new ATOM 0 HB2 LYS A 6 6.150 7.933 0.630 1.00 63.44 H new ATOM 0 HB3 LYS A 6 5.425 6.365 0.338 1.00 63.44 H new ATOM 0 HG2 LYS A 6 7.231 5.204 1.349 1.00 63.21 H new ATOM 0 HG3 LYS A 6 8.301 6.588 1.245 1.00 63.21 H new ATOM 0 HD2 LYS A 6 7.668 6.555 3.514 1.00 31.20 H new ATOM 0 HD3 LYS A 6 6.636 7.791 2.821 1.00 31.20 H new ATOM 0 HE2 LYS A 6 4.733 6.586 3.169 1.00 75.24 H new ATOM 0 HE3 LYS A 6 5.471 5.081 2.659 1.00 75.24 H new ATOM 0 HZ1 LYS A 6 4.879 5.020 4.992 1.00 10.04 H new ATOM 0 HZ2 LYS A 6 6.565 4.917 4.819 1.00 10.04 H new ATOM 0 HZ3 LYS A 6 5.850 6.375 5.313 1.00 10.04 H new ATOM 88 N GLU A 7 7.539 4.766 -2.102 1.00 53.21 N ATOM 89 CA GLU A 7 7.265 3.517 -2.803 1.00 22.02 C ATOM 90 C GLU A 7 6.685 3.786 -4.188 1.00 44.15 C ATOM 91 O GLU A 7 6.120 2.893 -4.822 1.00 1.44 O ATOM 92 CB GLU A 7 6.297 2.653 -1.992 1.00 21.02 C ATOM 93 CG GLU A 7 6.796 1.237 -1.756 1.00 3.42 C ATOM 94 CD GLU A 7 6.642 0.797 -0.313 1.00 2.51 C ATOM 95 OE1 GLU A 7 5.647 1.200 0.326 1.00 23.42 O ATOM 96 OE2 GLU A 7 7.516 0.052 0.177 1.00 32.12 O ATOM 0 H GLU A 7 8.524 4.925 -1.891 1.00 53.21 H new ATOM 0 HA GLU A 7 8.207 2.982 -2.920 1.00 22.02 H new ATOM 0 HB2 GLU A 7 6.116 3.131 -1.029 1.00 21.02 H new ATOM 0 HB3 GLU A 7 5.339 2.610 -2.511 1.00 21.02 H new ATOM 0 HG2 GLU A 7 6.248 0.550 -2.402 1.00 3.42 H new ATOM 0 HG3 GLU A 7 7.846 1.174 -2.041 1.00 3.42 H new ATOM 103 N LEU A 8 6.829 5.022 -4.653 1.00 50.14 N ATOM 104 CA LEU A 8 6.320 5.411 -5.964 1.00 34.40 C ATOM 105 C LEU A 8 7.365 6.204 -6.742 1.00 22.55 C ATOM 106 O LEU A 8 8.283 6.780 -6.158 1.00 12.43 O ATOM 107 CB LEU A 8 5.043 6.240 -5.812 1.00 4.14 C ATOM 108 CG LEU A 8 3.729 5.505 -6.078 1.00 3.01 C ATOM 109 CD1 LEU A 8 2.932 5.354 -4.792 1.00 20.13 C ATOM 110 CD2 LEU A 8 2.912 6.239 -7.131 1.00 72.52 C ATOM 0 H LEU A 8 7.294 5.772 -4.142 1.00 50.14 H new ATOM 0 HA LEU A 8 6.092 4.502 -6.521 1.00 34.40 H new ATOM 0 HB2 LEU A 8 5.013 6.641 -4.799 1.00 4.14 H new ATOM 0 HB3 LEU A 8 5.104 7.091 -6.490 1.00 4.14 H new ATOM 0 HG LEU A 8 3.961 4.509 -6.456 1.00 3.01 H new ATOM 0 HD11 LEU A 8 2.000 4.829 -5.001 1.00 20.13 H new ATOM 0 HD12 LEU A 8 3.515 4.785 -4.068 1.00 20.13 H new ATOM 0 HD13 LEU A 8 2.709 6.340 -4.384 1.00 20.13 H new ATOM 0 HD21 LEU A 8 1.980 5.702 -7.308 1.00 72.52 H new ATOM 0 HD22 LEU A 8 2.689 7.247 -6.781 1.00 72.52 H new ATOM 0 HD23 LEU A 8 3.481 6.295 -8.059 1.00 72.52 H new ATOM 122 N VAL A 9 7.219 6.230 -8.062 1.00 61.55 N ATOM 123 CA VAL A 9 8.149 6.955 -8.920 1.00 73.44 C ATOM 124 C VAL A 9 7.410 7.930 -9.830 1.00 4.10 C ATOM 125 O VAL A 9 6.347 7.614 -10.366 1.00 22.45 O ATOM 126 CB VAL A 9 8.981 5.991 -9.787 1.00 73.22 C ATOM 127 CG1 VAL A 9 9.958 6.765 -10.659 1.00 73.20 C ATOM 128 CG2 VAL A 9 9.715 4.986 -8.912 1.00 13.42 C ATOM 0 H VAL A 9 6.466 5.757 -8.561 1.00 61.55 H new ATOM 0 HA VAL A 9 8.818 7.511 -8.263 1.00 73.44 H new ATOM 0 HB VAL A 9 8.304 5.442 -10.441 1.00 73.22 H new ATOM 0 HG11 VAL A 9 10.537 6.067 -11.264 1.00 73.20 H new ATOM 0 HG12 VAL A 9 9.406 7.441 -11.312 1.00 73.20 H new ATOM 0 HG13 VAL A 9 10.632 7.342 -10.026 1.00 73.20 H new ATOM 0 HG21 VAL A 9 10.298 4.313 -9.541 1.00 13.42 H new ATOM 0 HG22 VAL A 9 10.382 5.515 -8.231 1.00 13.42 H new ATOM 0 HG23 VAL A 9 8.992 4.409 -8.336 1.00 13.42 H new ATOM 138 N LEU A 10 7.981 9.118 -10.001 1.00 75.43 N ATOM 139 CA LEU A 10 7.377 10.141 -10.848 1.00 11.25 C ATOM 140 C LEU A 10 7.923 10.064 -12.269 1.00 45.05 C ATOM 141 O LEU A 10 9.068 9.666 -12.484 1.00 72.53 O ATOM 142 CB LEU A 10 7.636 11.531 -10.264 1.00 42.31 C ATOM 143 CG LEU A 10 7.064 12.708 -11.055 1.00 3.51 C ATOM 144 CD1 LEU A 10 5.545 12.704 -10.995 1.00 33.11 C ATOM 145 CD2 LEU A 10 7.617 14.024 -10.527 1.00 11.32 C ATOM 0 H LEU A 10 8.860 9.396 -9.565 1.00 75.43 H new ATOM 0 HA LEU A 10 6.302 9.962 -10.882 1.00 11.25 H new ATOM 0 HB2 LEU A 10 7.224 11.562 -9.255 1.00 42.31 H new ATOM 0 HB3 LEU A 10 8.713 11.670 -10.172 1.00 42.31 H new ATOM 0 HG LEU A 10 7.366 12.602 -12.097 1.00 3.51 H new ATOM 0 HD11 LEU A 10 5.156 13.549 -11.564 1.00 33.11 H new ATOM 0 HD12 LEU A 10 5.166 11.775 -11.421 1.00 33.11 H new ATOM 0 HD13 LEU A 10 5.222 12.785 -9.957 1.00 33.11 H new ATOM 0 HD21 LEU A 10 7.199 14.851 -11.101 1.00 11.32 H new ATOM 0 HD22 LEU A 10 7.346 14.138 -9.477 1.00 11.32 H new ATOM 0 HD23 LEU A 10 8.703 14.027 -10.623 1.00 11.32 H new ATOM 157 N ALA A 11 7.098 10.450 -13.237 1.00 21.01 N ATOM 158 CA ALA A 11 7.500 10.429 -14.638 1.00 21.42 C ATOM 159 C ALA A 11 8.435 11.589 -14.958 1.00 44.54 C ATOM 160 O ALA A 11 8.124 12.747 -14.676 1.00 1.30 O ATOM 161 CB ALA A 11 6.275 10.471 -15.539 1.00 60.12 C ATOM 0 H ALA A 11 6.147 10.781 -13.076 1.00 21.01 H new ATOM 0 HA ALA A 11 8.040 9.500 -14.822 1.00 21.42 H new ATOM 0 HB1 ALA A 11 6.590 10.455 -16.582 1.00 60.12 H new ATOM 0 HB2 ALA A 11 5.645 9.605 -15.337 1.00 60.12 H new ATOM 0 HB3 ALA A 11 5.711 11.383 -15.344 1.00 60.12 H new ATOM 167 N LEU A 12 9.583 11.273 -15.549 1.00 14.03 N ATOM 168 CA LEU A 12 10.565 12.290 -15.907 1.00 53.54 C ATOM 169 C LEU A 12 10.245 12.899 -17.269 1.00 4.41 C ATOM 170 O LEU A 12 10.505 14.079 -17.509 1.00 70.21 O ATOM 171 CB LEU A 12 11.970 11.688 -15.923 1.00 25.45 C ATOM 172 CG LEU A 12 13.097 12.599 -15.435 1.00 41.42 C ATOM 173 CD1 LEU A 12 13.172 13.857 -16.287 1.00 23.00 C ATOM 174 CD2 LEU A 12 12.898 12.957 -13.970 1.00 34.15 C ATOM 0 H LEU A 12 9.856 10.320 -15.790 1.00 14.03 H new ATOM 0 HA LEU A 12 10.524 13.080 -15.157 1.00 53.54 H new ATOM 0 HB2 LEU A 12 11.965 10.788 -15.308 1.00 25.45 H new ATOM 0 HB3 LEU A 12 12.198 11.376 -16.942 1.00 25.45 H new ATOM 0 HG LEU A 12 14.040 12.061 -15.532 1.00 41.42 H new ATOM 0 HD11 LEU A 12 13.979 14.494 -15.925 1.00 23.00 H new ATOM 0 HD12 LEU A 12 13.363 13.583 -17.325 1.00 23.00 H new ATOM 0 HD13 LEU A 12 12.227 14.397 -16.222 1.00 23.00 H new ATOM 0 HD21 LEU A 12 13.710 13.606 -13.640 1.00 34.15 H new ATOM 0 HD22 LEU A 12 11.947 13.475 -13.848 1.00 34.15 H new ATOM 0 HD23 LEU A 12 12.895 12.047 -13.370 1.00 34.15 H new ATOM 186 N TYR A 13 9.679 12.088 -18.156 1.00 4.43 N ATOM 187 CA TYR A 13 9.324 12.547 -19.493 1.00 45.15 C ATOM 188 C TYR A 13 8.560 11.468 -20.254 1.00 52.23 C ATOM 189 O TYR A 13 8.753 10.274 -20.023 1.00 11.52 O ATOM 190 CB TYR A 13 10.582 12.941 -20.271 1.00 33.14 C ATOM 191 CG TYR A 13 10.423 14.210 -21.076 1.00 52.52 C ATOM 192 CD1 TYR A 13 10.479 15.457 -20.464 1.00 20.52 C ATOM 193 CD2 TYR A 13 10.215 14.164 -22.449 1.00 45.32 C ATOM 194 CE1 TYR A 13 10.334 16.619 -21.195 1.00 53.35 C ATOM 195 CE2 TYR A 13 10.071 15.322 -23.189 1.00 74.20 C ATOM 196 CZ TYR A 13 10.130 16.547 -22.558 1.00 22.23 C ATOM 197 OH TYR A 13 9.985 17.702 -23.291 1.00 51.10 O ATOM 0 H TYR A 13 9.456 11.110 -17.973 1.00 4.43 H new ATOM 0 HA TYR A 13 8.680 13.420 -19.391 1.00 45.15 H new ATOM 0 HB2 TYR A 13 11.408 13.066 -19.571 1.00 33.14 H new ATOM 0 HB3 TYR A 13 10.854 12.126 -20.942 1.00 33.14 H new ATOM 0 HD1 TYR A 13 10.639 15.518 -19.398 1.00 20.52 H new ATOM 0 HD2 TYR A 13 10.165 13.207 -22.946 1.00 45.32 H new ATOM 0 HE1 TYR A 13 10.380 17.579 -20.703 1.00 53.35 H new ATOM 0 HE2 TYR A 13 9.913 15.268 -24.256 1.00 74.20 H new ATOM 0 HH TYR A 13 9.850 17.476 -24.235 1.00 51.10 H new ATOM 207 N ASP A 14 7.692 11.898 -21.163 1.00 73.54 N ATOM 208 CA ASP A 14 6.898 10.970 -21.961 1.00 20.21 C ATOM 209 C ASP A 14 7.790 10.150 -22.889 1.00 13.25 C ATOM 210 O ASP A 14 8.789 10.650 -23.407 1.00 75.41 O ATOM 211 CB ASP A 14 5.853 11.731 -22.779 1.00 5.14 C ATOM 212 CG ASP A 14 6.447 12.385 -24.011 1.00 1.44 C ATOM 213 OD1 ASP A 14 7.360 13.224 -23.856 1.00 55.31 O ATOM 214 OD2 ASP A 14 6.000 12.058 -25.129 1.00 51.05 O ATOM 0 H ASP A 14 7.520 12.883 -21.366 1.00 73.54 H new ATOM 0 HA ASP A 14 6.389 10.288 -21.280 1.00 20.21 H new ATOM 0 HB2 ASP A 14 5.062 11.045 -23.081 1.00 5.14 H new ATOM 0 HB3 ASP A 14 5.391 12.494 -22.153 1.00 5.14 H new ATOM 219 N TYR A 15 7.423 8.890 -23.092 1.00 73.11 N ATOM 220 CA TYR A 15 8.191 8.000 -23.954 1.00 62.12 C ATOM 221 C TYR A 15 7.327 6.847 -24.456 1.00 12.20 C ATOM 222 O TYR A 15 6.198 6.661 -24.002 1.00 50.35 O ATOM 223 CB TYR A 15 9.406 7.452 -23.203 1.00 70.24 C ATOM 224 CG TYR A 15 10.592 8.389 -23.205 1.00 2.43 C ATOM 225 CD1 TYR A 15 11.268 8.684 -24.382 1.00 41.25 C ATOM 226 CD2 TYR A 15 11.038 8.980 -22.029 1.00 32.54 C ATOM 227 CE1 TYR A 15 12.353 9.540 -24.389 1.00 32.44 C ATOM 228 CE2 TYR A 15 12.121 9.837 -22.025 1.00 54.34 C ATOM 229 CZ TYR A 15 12.775 10.114 -23.208 1.00 11.03 C ATOM 230 OH TYR A 15 13.855 10.967 -23.209 1.00 31.25 O ATOM 0 H TYR A 15 6.598 8.462 -22.671 1.00 73.11 H new ATOM 0 HA TYR A 15 8.533 8.575 -24.815 1.00 62.12 H new ATOM 0 HB2 TYR A 15 9.121 7.242 -22.172 1.00 70.24 H new ATOM 0 HB3 TYR A 15 9.702 6.504 -23.651 1.00 70.24 H new ATOM 0 HD1 TYR A 15 10.940 8.236 -25.308 1.00 41.25 H new ATOM 0 HD2 TYR A 15 10.528 8.765 -21.101 1.00 32.54 H new ATOM 0 HE1 TYR A 15 12.867 9.758 -25.313 1.00 32.44 H new ATOM 0 HE2 TYR A 15 12.454 10.288 -21.102 1.00 54.34 H new ATOM 0 HH TYR A 15 14.211 11.045 -22.299 1.00 31.25 H new ATOM 240 N GLN A 16 7.867 6.076 -25.394 1.00 52.45 N ATOM 241 CA GLN A 16 7.145 4.942 -25.958 1.00 65.45 C ATOM 242 C GLN A 16 8.109 3.833 -26.368 1.00 25.12 C ATOM 243 O GLN A 16 9.010 4.049 -27.178 1.00 1.11 O ATOM 244 CB GLN A 16 6.318 5.385 -27.166 1.00 12.41 C ATOM 245 CG GLN A 16 5.537 4.255 -27.817 1.00 13.23 C ATOM 246 CD GLN A 16 4.040 4.495 -27.800 1.00 31.13 C ATOM 247 OE1 GLN A 16 3.341 4.067 -26.880 1.00 44.22 O ATOM 248 NE2 GLN A 16 3.539 5.182 -28.819 1.00 54.32 N ATOM 0 H GLN A 16 8.801 6.216 -25.779 1.00 52.45 H new ATOM 0 HA GLN A 16 6.475 4.553 -25.191 1.00 65.45 H new ATOM 0 HB2 GLN A 16 5.622 6.163 -26.853 1.00 12.41 H new ATOM 0 HB3 GLN A 16 6.982 5.830 -27.907 1.00 12.41 H new ATOM 0 HG2 GLN A 16 5.870 4.135 -28.848 1.00 13.23 H new ATOM 0 HG3 GLN A 16 5.757 3.321 -27.300 1.00 13.23 H new ATOM 0 HE21 GLN A 16 4.155 5.518 -29.560 1.00 54.32 H new ATOM 0 HE22 GLN A 16 2.538 5.374 -28.862 1.00 54.32 H new ATOM 257 N GLU A 17 7.914 2.646 -25.802 1.00 15.13 N ATOM 258 CA GLU A 17 8.767 1.504 -26.108 1.00 2.23 C ATOM 259 C GLU A 17 8.300 0.801 -27.379 1.00 31.33 C ATOM 260 O GLU A 17 7.338 1.225 -28.019 1.00 72.13 O ATOM 261 CB GLU A 17 8.775 0.517 -24.939 1.00 11.03 C ATOM 262 CG GLU A 17 7.386 0.086 -24.497 1.00 64.53 C ATOM 263 CD GLU A 17 7.259 -1.419 -24.359 1.00 65.25 C ATOM 264 OE1 GLU A 17 7.362 -2.119 -25.389 1.00 21.33 O ATOM 265 OE2 GLU A 17 7.057 -1.897 -23.224 1.00 3.44 O ATOM 0 H GLU A 17 7.173 2.450 -25.129 1.00 15.13 H new ATOM 0 HA GLU A 17 9.780 1.873 -26.269 1.00 2.23 H new ATOM 0 HB2 GLU A 17 9.347 -0.366 -25.224 1.00 11.03 H new ATOM 0 HB3 GLU A 17 9.291 0.972 -24.094 1.00 11.03 H new ATOM 0 HG2 GLU A 17 7.150 0.556 -23.542 1.00 64.53 H new ATOM 0 HG3 GLU A 17 6.652 0.444 -25.218 1.00 64.53 H new ATOM 272 N LYS A 18 8.989 -0.277 -27.738 1.00 75.25 N ATOM 273 CA LYS A 18 8.646 -1.042 -28.932 1.00 13.42 C ATOM 274 C LYS A 18 9.060 -2.502 -28.780 1.00 54.11 C ATOM 275 O LYS A 18 9.204 -3.222 -29.768 1.00 42.20 O ATOM 276 CB LYS A 18 9.322 -0.434 -30.163 1.00 75.32 C ATOM 277 CG LYS A 18 8.406 -0.330 -31.370 1.00 55.23 C ATOM 278 CD LYS A 18 9.197 -0.228 -32.664 1.00 13.45 C ATOM 279 CE LYS A 18 8.367 0.392 -33.777 1.00 75.24 C ATOM 280 NZ LYS A 18 7.689 -0.644 -34.605 1.00 54.24 N ATOM 0 H LYS A 18 9.788 -0.641 -27.219 1.00 75.25 H new ATOM 0 HA LYS A 18 7.565 -1.001 -29.062 1.00 13.42 H new ATOM 0 HB2 LYS A 18 9.691 0.560 -29.911 1.00 75.32 H new ATOM 0 HB3 LYS A 18 10.190 -1.039 -30.427 1.00 75.32 H new ATOM 0 HG2 LYS A 18 7.754 -1.203 -31.409 1.00 55.23 H new ATOM 0 HG3 LYS A 18 7.763 0.544 -31.266 1.00 55.23 H new ATOM 0 HD2 LYS A 18 10.092 0.372 -32.498 1.00 13.45 H new ATOM 0 HD3 LYS A 18 9.530 -1.220 -32.967 1.00 13.45 H new ATOM 0 HE2 LYS A 18 7.620 1.058 -33.345 1.00 75.24 H new ATOM 0 HE3 LYS A 18 9.009 1.002 -34.412 1.00 75.24 H new ATOM 0 HZ1 LYS A 18 7.133 -0.182 -35.353 1.00 54.24 H new ATOM 0 HZ2 LYS A 18 8.403 -1.265 -35.038 1.00 54.24 H new ATOM 0 HZ3 LYS A 18 7.057 -1.210 -34.004 1.00 54.24 H new ATOM 294 N SER A 19 9.247 -2.933 -27.537 1.00 3.02 N ATOM 295 CA SER A 19 9.647 -4.307 -27.256 1.00 73.13 C ATOM 296 C SER A 19 9.466 -4.634 -25.777 1.00 44.00 C ATOM 297 O SER A 19 9.382 -3.749 -24.925 1.00 75.12 O ATOM 298 CB SER A 19 11.104 -4.531 -27.666 1.00 13.32 C ATOM 299 OG SER A 19 11.188 -5.309 -28.847 1.00 73.10 O ATOM 0 H SER A 19 9.128 -2.351 -26.708 1.00 3.02 H new ATOM 0 HA SER A 19 9.008 -4.971 -27.838 1.00 73.13 H new ATOM 0 HB2 SER A 19 11.592 -3.569 -27.825 1.00 13.32 H new ATOM 0 HB3 SER A 19 11.639 -5.031 -26.859 1.00 13.32 H new ATOM 0 HG SER A 19 10.601 -4.928 -29.532 1.00 73.10 H new ATOM 305 N PRO A 20 9.406 -5.937 -25.463 1.00 3.41 N ATOM 306 CA PRO A 20 9.236 -6.412 -24.087 1.00 0.03 C ATOM 307 C PRO A 20 10.472 -6.162 -23.230 1.00 4.11 C ATOM 308 O PRO A 20 10.389 -6.114 -22.003 1.00 1.54 O ATOM 309 CB PRO A 20 8.999 -7.915 -24.257 1.00 54.53 C ATOM 310 CG PRO A 20 9.655 -8.257 -25.550 1.00 71.40 C ATOM 311 CD PRO A 20 9.500 -7.046 -26.427 1.00 5.30 C ATOM 0 HA PRO A 20 8.425 -5.894 -23.575 1.00 0.03 H new ATOM 0 HB2 PRO A 20 9.432 -8.480 -23.432 1.00 54.53 H new ATOM 0 HB3 PRO A 20 7.934 -8.148 -24.279 1.00 54.53 H new ATOM 0 HG2 PRO A 20 10.707 -8.499 -25.401 1.00 71.40 H new ATOM 0 HG3 PRO A 20 9.188 -9.131 -26.005 1.00 71.40 H new ATOM 0 HD2 PRO A 20 10.350 -6.924 -27.098 1.00 5.30 H new ATOM 0 HD3 PRO A 20 8.609 -7.113 -27.051 1.00 5.30 H new ATOM 319 N ARG A 21 11.618 -6.003 -23.884 1.00 61.44 N ATOM 320 CA ARG A 21 12.872 -5.759 -23.182 1.00 11.12 C ATOM 321 C ARG A 21 13.021 -4.281 -22.834 1.00 42.44 C ATOM 322 O ARG A 21 13.701 -3.925 -21.872 1.00 34.40 O ATOM 323 CB ARG A 21 14.057 -6.215 -24.035 1.00 73.50 C ATOM 324 CG ARG A 21 14.883 -7.316 -23.390 1.00 61.35 C ATOM 325 CD ARG A 21 14.745 -8.630 -24.144 1.00 32.25 C ATOM 326 NE ARG A 21 15.559 -8.655 -25.355 1.00 45.14 N ATOM 327 CZ ARG A 21 16.882 -8.783 -25.350 1.00 34.55 C ATOM 328 NH1 ARG A 21 17.535 -8.899 -24.202 1.00 13.25 N ATOM 329 NH2 ARG A 21 17.553 -8.797 -26.494 1.00 21.31 N ATOM 0 H ARG A 21 11.704 -6.039 -24.900 1.00 61.44 H new ATOM 0 HA ARG A 21 12.858 -6.334 -22.256 1.00 11.12 H new ATOM 0 HB2 ARG A 21 13.687 -6.567 -24.998 1.00 73.50 H new ATOM 0 HB3 ARG A 21 14.701 -5.359 -24.235 1.00 73.50 H new ATOM 0 HG2 ARG A 21 15.931 -7.018 -23.364 1.00 61.35 H new ATOM 0 HG3 ARG A 21 14.565 -7.453 -22.356 1.00 61.35 H new ATOM 0 HD2 ARG A 21 15.038 -9.454 -23.493 1.00 32.25 H new ATOM 0 HD3 ARG A 21 13.699 -8.789 -24.407 1.00 32.25 H new ATOM 0 HE ARG A 21 15.087 -8.570 -26.255 1.00 45.14 H new ATOM 0 HH11 ARG A 21 17.022 -8.890 -23.320 1.00 13.25 H new ATOM 0 HH12 ARG A 21 18.550 -8.997 -24.200 1.00 13.25 H new ATOM 0 HH21 ARG A 21 17.054 -8.709 -27.379 1.00 21.31 H new ATOM 0 HH22 ARG A 21 18.568 -8.895 -26.489 1.00 21.31 H new ATOM 343 N GLU A 22 12.382 -3.425 -23.625 1.00 51.54 N ATOM 344 CA GLU A 22 12.445 -1.985 -23.402 1.00 24.05 C ATOM 345 C GLU A 22 11.330 -1.530 -22.465 1.00 20.55 C ATOM 346 O GLU A 22 10.418 -2.295 -22.150 1.00 54.15 O ATOM 347 CB GLU A 22 12.347 -1.235 -24.731 1.00 54.24 C ATOM 348 CG GLU A 22 13.201 0.021 -24.787 1.00 35.22 C ATOM 349 CD GLU A 22 13.444 0.499 -26.205 1.00 71.32 C ATOM 350 OE1 GLU A 22 12.511 1.072 -26.806 1.00 10.24 O ATOM 351 OE2 GLU A 22 14.566 0.299 -26.715 1.00 3.23 O ATOM 0 H GLU A 22 11.815 -3.703 -24.426 1.00 51.54 H new ATOM 0 HA GLU A 22 13.404 -1.758 -22.935 1.00 24.05 H new ATOM 0 HB2 GLU A 22 12.646 -1.903 -25.538 1.00 54.24 H new ATOM 0 HB3 GLU A 22 11.306 -0.965 -24.910 1.00 54.24 H new ATOM 0 HG2 GLU A 22 12.713 0.813 -24.219 1.00 35.22 H new ATOM 0 HG3 GLU A 22 14.159 -0.174 -24.304 1.00 35.22 H new ATOM 358 N VAL A 23 11.411 -0.280 -22.021 1.00 31.14 N ATOM 359 CA VAL A 23 10.409 0.278 -21.120 1.00 61.30 C ATOM 360 C VAL A 23 10.320 1.793 -21.267 1.00 62.55 C ATOM 361 O VAL A 23 11.336 2.476 -21.401 1.00 61.35 O ATOM 362 CB VAL A 23 10.721 -0.067 -19.651 1.00 53.35 C ATOM 363 CG1 VAL A 23 10.393 -1.524 -19.364 1.00 2.04 C ATOM 364 CG2 VAL A 23 12.177 0.234 -19.332 1.00 1.35 C ATOM 0 H VAL A 23 12.160 0.366 -22.270 1.00 31.14 H new ATOM 0 HA VAL A 23 9.453 -0.167 -21.395 1.00 61.30 H new ATOM 0 HB VAL A 23 10.097 0.554 -19.009 1.00 53.35 H new ATOM 0 HG11 VAL A 23 10.620 -1.750 -18.322 1.00 2.04 H new ATOM 0 HG12 VAL A 23 9.334 -1.702 -19.552 1.00 2.04 H new ATOM 0 HG13 VAL A 23 10.990 -2.166 -20.012 1.00 2.04 H new ATOM 0 HG21 VAL A 23 12.380 -0.015 -18.291 1.00 1.35 H new ATOM 0 HG22 VAL A 23 12.822 -0.360 -19.980 1.00 1.35 H new ATOM 0 HG23 VAL A 23 12.374 1.293 -19.497 1.00 1.35 H new ATOM 374 N THR A 24 9.097 2.314 -21.241 1.00 63.55 N ATOM 375 CA THR A 24 8.875 3.748 -21.373 1.00 34.22 C ATOM 376 C THR A 24 7.762 4.219 -20.443 1.00 60.13 C ATOM 377 O THR A 24 6.878 3.445 -20.077 1.00 13.51 O ATOM 378 CB THR A 24 8.515 4.130 -22.821 1.00 14.11 C ATOM 379 OG1 THR A 24 7.411 3.339 -23.277 1.00 3.35 O ATOM 380 CG2 THR A 24 9.706 3.929 -23.746 1.00 35.22 C ATOM 0 H THR A 24 8.245 1.764 -21.130 1.00 63.55 H new ATOM 0 HA THR A 24 9.808 4.239 -21.097 1.00 34.22 H new ATOM 0 HB THR A 24 8.237 5.184 -22.837 1.00 14.11 H new ATOM 0 HG1 THR A 24 6.571 3.797 -23.065 1.00 3.35 H new ATOM 0 HG21 THR A 24 9.428 4.205 -24.763 1.00 35.22 H new ATOM 0 HG22 THR A 24 10.534 4.555 -23.414 1.00 35.22 H new ATOM 0 HG23 THR A 24 10.011 2.883 -23.725 1.00 35.22 H new ATOM 388 N MET A 25 7.812 5.492 -20.066 1.00 40.20 N ATOM 389 CA MET A 25 6.806 6.066 -19.180 1.00 51.31 C ATOM 390 C MET A 25 6.245 7.361 -19.761 1.00 23.33 C ATOM 391 O MET A 25 6.918 8.053 -20.525 1.00 0.35 O ATOM 392 CB MET A 25 7.405 6.331 -17.797 1.00 54.23 C ATOM 393 CG MET A 25 8.758 7.023 -17.843 1.00 75.41 C ATOM 394 SD MET A 25 10.095 5.971 -17.246 1.00 43.42 S ATOM 395 CE MET A 25 11.022 5.712 -18.757 1.00 32.00 C ATOM 0 H MET A 25 8.538 6.146 -20.360 1.00 40.20 H new ATOM 0 HA MET A 25 5.991 5.349 -19.084 1.00 51.31 H new ATOM 0 HB2 MET A 25 6.712 6.944 -17.221 1.00 54.23 H new ATOM 0 HB3 MET A 25 7.508 5.384 -17.267 1.00 54.23 H new ATOM 0 HG2 MET A 25 8.971 7.329 -18.867 1.00 75.41 H new ATOM 0 HG3 MET A 25 8.718 7.931 -17.241 1.00 75.41 H new ATOM 0 HE1 MET A 25 11.210 4.647 -18.890 1.00 32.00 H new ATOM 0 HE2 MET A 25 10.449 6.088 -19.604 1.00 32.00 H new ATOM 0 HE3 MET A 25 11.972 6.244 -18.697 1.00 32.00 H new ATOM 405 N LYS A 26 5.009 7.682 -19.394 1.00 61.31 N ATOM 406 CA LYS A 26 4.358 8.893 -19.877 1.00 55.23 C ATOM 407 C LYS A 26 4.543 10.041 -18.890 1.00 55.21 C ATOM 408 O LYS A 26 4.418 9.859 -17.679 1.00 34.31 O ATOM 409 CB LYS A 26 2.866 8.638 -20.106 1.00 11.33 C ATOM 410 CG LYS A 26 2.312 9.333 -21.337 1.00 53.14 C ATOM 411 CD LYS A 26 2.582 8.531 -22.599 1.00 72.32 C ATOM 412 CE LYS A 26 1.716 9.004 -23.757 1.00 34.34 C ATOM 413 NZ LYS A 26 1.176 7.863 -24.548 1.00 12.34 N ATOM 0 H LYS A 26 4.438 7.120 -18.763 1.00 61.31 H new ATOM 0 HA LYS A 26 4.822 9.172 -20.823 1.00 55.23 H new ATOM 0 HB2 LYS A 26 2.700 7.565 -20.199 1.00 11.33 H new ATOM 0 HB3 LYS A 26 2.310 8.972 -19.230 1.00 11.33 H new ATOM 0 HG2 LYS A 26 1.238 9.480 -21.221 1.00 53.14 H new ATOM 0 HG3 LYS A 26 2.761 10.322 -21.430 1.00 53.14 H new ATOM 0 HD2 LYS A 26 3.634 8.620 -22.870 1.00 72.32 H new ATOM 0 HD3 LYS A 26 2.391 7.475 -22.408 1.00 72.32 H new ATOM 0 HE2 LYS A 26 0.890 9.602 -23.372 1.00 34.34 H new ATOM 0 HE3 LYS A 26 2.303 9.652 -24.408 1.00 34.34 H new ATOM 0 HZ1 LYS A 26 0.591 8.227 -25.327 1.00 12.34 H new ATOM 0 HZ2 LYS A 26 1.964 7.306 -24.937 1.00 12.34 H new ATOM 0 HZ3 LYS A 26 0.595 7.258 -23.933 1.00 12.34 H new ATOM 427 N LYS A 27 4.840 11.225 -19.415 1.00 54.03 N ATOM 428 CA LYS A 27 5.039 12.404 -18.581 1.00 41.34 C ATOM 429 C LYS A 27 3.864 12.603 -17.630 1.00 14.01 C ATOM 430 O LYS A 27 2.710 12.651 -18.055 1.00 30.04 O ATOM 431 CB LYS A 27 5.218 13.648 -19.455 1.00 74.11 C ATOM 432 CG LYS A 27 4.049 13.908 -20.389 1.00 74.24 C ATOM 433 CD LYS A 27 4.415 14.903 -21.477 1.00 52.43 C ATOM 434 CE LYS A 27 3.475 14.798 -22.668 1.00 52.34 C ATOM 435 NZ LYS A 27 4.218 14.640 -23.949 1.00 50.01 N ATOM 0 H LYS A 27 4.948 11.393 -20.415 1.00 54.03 H new ATOM 0 HA LYS A 27 5.941 12.251 -17.988 1.00 41.34 H new ATOM 0 HB2 LYS A 27 5.358 14.517 -18.812 1.00 74.11 H new ATOM 0 HB3 LYS A 27 6.127 13.539 -20.046 1.00 74.11 H new ATOM 0 HG2 LYS A 27 3.731 12.970 -20.844 1.00 74.24 H new ATOM 0 HG3 LYS A 27 3.203 14.288 -19.817 1.00 74.24 H new ATOM 0 HD2 LYS A 27 4.380 15.915 -21.073 1.00 52.43 H new ATOM 0 HD3 LYS A 27 5.440 14.726 -21.804 1.00 52.43 H new ATOM 0 HE2 LYS A 27 2.806 13.949 -22.529 1.00 52.34 H new ATOM 0 HE3 LYS A 27 2.851 15.690 -22.718 1.00 52.34 H new ATOM 0 HZ1 LYS A 27 3.842 15.306 -24.653 1.00 50.01 H new ATOM 0 HZ2 LYS A 27 5.227 14.836 -23.791 1.00 50.01 H new ATOM 0 HZ3 LYS A 27 4.105 13.667 -24.298 1.00 50.01 H new ATOM 449 N GLY A 28 4.165 12.720 -16.340 1.00 71.40 N ATOM 450 CA GLY A 28 3.122 12.913 -15.349 1.00 44.33 C ATOM 451 C GLY A 28 2.623 11.605 -14.769 1.00 65.22 C ATOM 452 O GLY A 28 2.021 11.584 -13.696 1.00 33.51 O ATOM 0 H GLY A 28 5.112 12.685 -15.964 1.00 71.40 H new ATOM 0 HA2 GLY A 28 3.502 13.542 -14.544 1.00 44.33 H new ATOM 0 HA3 GLY A 28 2.288 13.447 -15.804 1.00 44.33 H new ATOM 456 N ASP A 29 2.873 10.511 -15.480 1.00 61.04 N ATOM 457 CA ASP A 29 2.444 9.192 -15.030 1.00 64.22 C ATOM 458 C ASP A 29 3.341 8.684 -13.905 1.00 75.10 C ATOM 459 O ASP A 29 4.434 9.206 -13.686 1.00 30.13 O ATOM 460 CB ASP A 29 2.458 8.202 -16.196 1.00 42.12 C ATOM 461 CG ASP A 29 1.307 7.217 -16.133 1.00 44.23 C ATOM 462 OD1 ASP A 29 0.217 7.545 -16.646 1.00 14.20 O ATOM 463 OD2 ASP A 29 1.498 6.118 -15.572 1.00 54.12 O ATOM 0 H ASP A 29 3.371 10.512 -16.370 1.00 61.04 H new ATOM 0 HA ASP A 29 1.426 9.278 -14.649 1.00 64.22 H new ATOM 0 HB2 ASP A 29 2.411 8.752 -17.136 1.00 42.12 H new ATOM 0 HB3 ASP A 29 3.401 7.655 -16.193 1.00 42.12 H new ATOM 468 N ILE A 30 2.870 7.664 -13.195 1.00 15.41 N ATOM 469 CA ILE A 30 3.628 7.087 -12.093 1.00 23.43 C ATOM 470 C ILE A 30 4.054 5.657 -12.408 1.00 72.42 C ATOM 471 O ILE A 30 3.268 4.864 -12.931 1.00 5.51 O ATOM 472 CB ILE A 30 2.814 7.091 -10.785 1.00 44.43 C ATOM 473 CG1 ILE A 30 1.418 6.515 -11.026 1.00 73.23 C ATOM 474 CG2 ILE A 30 2.721 8.503 -10.225 1.00 22.34 C ATOM 475 CD1 ILE A 30 0.783 5.929 -9.784 1.00 64.24 C ATOM 0 H ILE A 30 1.967 7.221 -13.364 1.00 15.41 H new ATOM 0 HA ILE A 30 4.514 7.708 -11.962 1.00 23.43 H new ATOM 0 HB ILE A 30 3.324 6.463 -10.054 1.00 44.43 H new ATOM 0 HG12 ILE A 30 0.772 7.301 -11.418 1.00 73.23 H new ATOM 0 HG13 ILE A 30 1.480 5.742 -11.792 1.00 73.23 H new ATOM 0 HG21 ILE A 30 2.143 8.491 -9.301 1.00 22.34 H new ATOM 0 HG22 ILE A 30 3.723 8.880 -10.021 1.00 22.34 H new ATOM 0 HG23 ILE A 30 2.230 9.151 -10.951 1.00 22.34 H new ATOM 0 HD11 ILE A 30 -0.205 5.539 -10.030 1.00 64.24 H new ATOM 0 HD12 ILE A 30 1.407 5.121 -9.403 1.00 64.24 H new ATOM 0 HD13 ILE A 30 0.689 6.704 -9.023 1.00 64.24 H new ATOM 487 N LEU A 31 5.301 5.332 -12.086 1.00 32.40 N ATOM 488 CA LEU A 31 5.831 3.995 -12.333 1.00 4.30 C ATOM 489 C LEU A 31 6.124 3.275 -11.021 1.00 23.40 C ATOM 490 O LEU A 31 6.621 3.875 -10.067 1.00 61.32 O ATOM 491 CB LEU A 31 7.104 4.079 -13.177 1.00 62.45 C ATOM 492 CG LEU A 31 7.558 2.776 -13.838 1.00 11.31 C ATOM 493 CD1 LEU A 31 6.453 2.209 -14.715 1.00 55.42 C ATOM 494 CD2 LEU A 31 8.823 3.004 -14.652 1.00 25.33 C ATOM 0 H LEU A 31 5.964 5.975 -11.654 1.00 32.40 H new ATOM 0 HA LEU A 31 5.077 3.426 -12.878 1.00 4.30 H new ATOM 0 HB2 LEU A 31 6.950 4.825 -13.957 1.00 62.45 H new ATOM 0 HB3 LEU A 31 7.913 4.443 -12.543 1.00 62.45 H new ATOM 0 HG LEU A 31 7.779 2.051 -13.054 1.00 11.31 H new ATOM 0 HD11 LEU A 31 6.794 1.282 -15.177 1.00 55.42 H new ATOM 0 HD12 LEU A 31 5.572 2.008 -14.106 1.00 55.42 H new ATOM 0 HD13 LEU A 31 6.199 2.930 -15.492 1.00 55.42 H new ATOM 0 HD21 LEU A 31 9.132 2.067 -15.115 1.00 25.33 H new ATOM 0 HD22 LEU A 31 8.628 3.745 -15.427 1.00 25.33 H new ATOM 0 HD23 LEU A 31 9.617 3.364 -13.998 1.00 25.33 H new ATOM 506 N THR A 32 5.815 1.982 -10.980 1.00 1.23 N ATOM 507 CA THR A 32 6.046 1.179 -9.786 1.00 32.12 C ATOM 508 C THR A 32 7.253 0.265 -9.963 1.00 2.44 C ATOM 509 O THR A 32 7.510 -0.236 -11.058 1.00 30.51 O ATOM 510 CB THR A 32 4.814 0.321 -9.439 1.00 0.40 C ATOM 511 OG1 THR A 32 4.283 -0.276 -10.627 1.00 21.41 O ATOM 512 CG2 THR A 32 3.741 1.163 -8.766 1.00 12.44 C ATOM 0 H THR A 32 5.404 1.469 -11.760 1.00 1.23 H new ATOM 0 HA THR A 32 6.237 1.875 -8.969 1.00 32.12 H new ATOM 0 HB THR A 32 5.126 -0.462 -8.748 1.00 0.40 H new ATOM 0 HG1 THR A 32 3.501 -0.821 -10.398 1.00 21.41 H new ATOM 0 HG21 THR A 32 2.881 0.536 -8.530 1.00 12.44 H new ATOM 0 HG22 THR A 32 4.139 1.593 -7.847 1.00 12.44 H new ATOM 0 HG23 THR A 32 3.433 1.964 -9.438 1.00 12.44 H new ATOM 520 N LEU A 33 7.992 0.052 -8.879 1.00 53.51 N ATOM 521 CA LEU A 33 9.173 -0.803 -8.914 1.00 42.53 C ATOM 522 C LEU A 33 8.963 -2.057 -8.072 1.00 1.42 C ATOM 523 O LEU A 33 8.441 -1.989 -6.958 1.00 64.10 O ATOM 524 CB LEU A 33 10.397 -0.035 -8.411 1.00 62.42 C ATOM 525 CG LEU A 33 10.444 0.243 -6.908 1.00 52.14 C ATOM 526 CD1 LEU A 33 11.466 -0.656 -6.230 1.00 40.24 C ATOM 527 CD2 LEU A 33 10.763 1.708 -6.647 1.00 75.01 C ATOM 0 H LEU A 33 7.794 0.460 -7.965 1.00 53.51 H new ATOM 0 HA LEU A 33 9.341 -1.107 -9.947 1.00 42.53 H new ATOM 0 HB2 LEU A 33 11.291 -0.596 -8.685 1.00 62.42 H new ATOM 0 HB3 LEU A 33 10.445 0.918 -8.938 1.00 62.42 H new ATOM 0 HG LEU A 33 9.463 0.024 -6.487 1.00 52.14 H new ATOM 0 HD11 LEU A 33 11.485 -0.444 -5.161 1.00 40.24 H new ATOM 0 HD12 LEU A 33 11.194 -1.700 -6.388 1.00 40.24 H new ATOM 0 HD13 LEU A 33 12.453 -0.470 -6.655 1.00 40.24 H new ATOM 0 HD21 LEU A 33 10.792 1.888 -5.572 1.00 75.01 H new ATOM 0 HD22 LEU A 33 11.732 1.953 -7.083 1.00 75.01 H new ATOM 0 HD23 LEU A 33 9.994 2.334 -7.099 1.00 75.01 H new ATOM 539 N LEU A 34 9.374 -3.200 -8.609 1.00 44.32 N ATOM 540 CA LEU A 34 9.234 -4.470 -7.906 1.00 73.10 C ATOM 541 C LEU A 34 10.418 -4.712 -6.976 1.00 2.32 C ATOM 542 O LEU A 34 10.274 -5.320 -5.917 1.00 31.44 O ATOM 543 CB LEU A 34 9.115 -5.620 -8.908 1.00 53.30 C ATOM 544 CG LEU A 34 8.000 -6.632 -8.639 1.00 45.22 C ATOM 545 CD1 LEU A 34 8.054 -7.766 -9.651 1.00 23.24 C ATOM 546 CD2 LEU A 34 8.103 -7.174 -7.221 1.00 1.10 C ATOM 0 H LEU A 34 9.807 -3.273 -9.530 1.00 44.32 H new ATOM 0 HA LEU A 34 8.326 -4.425 -7.304 1.00 73.10 H new ATOM 0 HB2 LEU A 34 8.962 -5.196 -9.901 1.00 53.30 H new ATOM 0 HB3 LEU A 34 10.065 -6.154 -8.932 1.00 53.30 H new ATOM 0 HG LEU A 34 7.041 -6.125 -8.744 1.00 45.22 H new ATOM 0 HD11 LEU A 34 7.254 -8.476 -9.444 1.00 23.24 H new ATOM 0 HD12 LEU A 34 7.931 -7.363 -10.656 1.00 23.24 H new ATOM 0 HD13 LEU A 34 9.016 -8.273 -9.579 1.00 23.24 H new ATOM 0 HD21 LEU A 34 7.302 -7.892 -7.047 1.00 1.10 H new ATOM 0 HD22 LEU A 34 9.067 -7.666 -7.089 1.00 1.10 H new ATOM 0 HD23 LEU A 34 8.014 -6.352 -6.510 1.00 1.10 H new ATOM 558 N ASN A 35 11.589 -4.228 -7.379 1.00 32.31 N ATOM 559 CA ASN A 35 12.798 -4.390 -6.580 1.00 64.35 C ATOM 560 C ASN A 35 13.984 -3.695 -7.242 1.00 42.31 C ATOM 561 O ASN A 35 14.217 -3.849 -8.441 1.00 5.21 O ATOM 562 CB ASN A 35 13.109 -5.875 -6.383 1.00 61.42 C ATOM 563 CG ASN A 35 13.676 -6.170 -5.008 1.00 1.32 C ATOM 564 OD1 ASN A 35 12.983 -6.043 -3.998 1.00 71.03 O ATOM 565 ND2 ASN A 35 14.943 -6.565 -4.962 1.00 42.45 N ATOM 0 H ASN A 35 11.726 -3.721 -8.253 1.00 32.31 H new ATOM 0 HA ASN A 35 12.625 -3.929 -5.607 1.00 64.35 H new ATOM 0 HB2 ASN A 35 12.199 -6.457 -6.530 1.00 61.42 H new ATOM 0 HB3 ASN A 35 13.820 -6.198 -7.143 1.00 61.42 H new ATOM 0 HD21 ASN A 35 15.379 -6.777 -4.064 1.00 42.45 H new ATOM 0 HD22 ASN A 35 15.480 -6.657 -5.824 1.00 42.45 H new ATOM 572 N SER A 36 14.730 -2.929 -6.452 1.00 64.32 N ATOM 573 CA SER A 36 15.890 -2.207 -6.961 1.00 64.34 C ATOM 574 C SER A 36 17.163 -3.029 -6.783 1.00 62.54 C ATOM 575 O SER A 36 17.313 -3.761 -5.804 1.00 73.22 O ATOM 576 CB SER A 36 16.035 -0.862 -6.247 1.00 35.22 C ATOM 577 OG SER A 36 16.566 -1.031 -4.944 1.00 62.21 O ATOM 0 H SER A 36 14.552 -2.793 -5.457 1.00 64.32 H new ATOM 0 HA SER A 36 15.737 -2.030 -8.026 1.00 64.34 H new ATOM 0 HB2 SER A 36 16.686 -0.207 -6.826 1.00 35.22 H new ATOM 0 HB3 SER A 36 15.063 -0.372 -6.186 1.00 35.22 H new ATOM 0 HG SER A 36 16.651 -0.157 -4.509 1.00 62.21 H new ATOM 583 N THR A 37 18.080 -2.904 -7.738 1.00 52.03 N ATOM 584 CA THR A 37 19.340 -3.635 -7.689 1.00 75.14 C ATOM 585 C THR A 37 20.510 -2.696 -7.420 1.00 31.55 C ATOM 586 O THR A 37 21.520 -3.098 -6.843 1.00 73.31 O ATOM 587 CB THR A 37 19.599 -4.396 -9.003 1.00 72.13 C ATOM 588 OG1 THR A 37 18.400 -5.049 -9.436 1.00 41.01 O ATOM 589 CG2 THR A 37 20.706 -5.424 -8.824 1.00 12.01 C ATOM 0 H THR A 37 17.973 -2.303 -8.555 1.00 52.03 H new ATOM 0 HA THR A 37 19.258 -4.352 -6.872 1.00 75.14 H new ATOM 0 HB THR A 37 19.913 -3.675 -9.758 1.00 72.13 H new ATOM 0 HG1 THR A 37 18.573 -5.529 -10.273 1.00 41.01 H new ATOM 0 HG21 THR A 37 20.871 -5.949 -9.765 1.00 12.01 H new ATOM 0 HG22 THR A 37 21.625 -4.921 -8.523 1.00 12.01 H new ATOM 0 HG23 THR A 37 20.416 -6.140 -8.055 1.00 12.01 H new ATOM 597 N ASN A 38 20.367 -1.444 -7.840 1.00 12.33 N ATOM 598 CA ASN A 38 21.413 -0.447 -7.643 1.00 23.23 C ATOM 599 C ASN A 38 20.897 0.954 -7.957 1.00 72.51 C ATOM 600 O ASN A 38 19.733 1.132 -8.319 1.00 25.03 O ATOM 601 CB ASN A 38 22.623 -0.767 -8.524 1.00 12.53 C ATOM 602 CG ASN A 38 23.889 -0.972 -7.715 1.00 31.52 C ATOM 603 OD1 ASN A 38 24.934 -0.225 -8.051 1.00 13.25 O flip ATOM 604 ND2 ASN A 38 23.927 -1.794 -6.799 1.00 53.11 N flip ATOM 0 H ASN A 38 19.537 -1.095 -8.319 1.00 12.33 H new ATOM 0 HA ASN A 38 21.716 -0.476 -6.596 1.00 23.23 H new ATOM 0 HB2 ASN A 38 22.418 -1.665 -9.106 1.00 12.53 H new ATOM 0 HB3 ASN A 38 22.777 0.045 -9.235 1.00 12.53 H new ATOM 0 HD21 ASN A 38 23.100 -2.347 -6.575 1.00 53.11 H new ATOM 0 HD22 ASN A 38 24.786 -1.922 -6.264 1.00 53.11 H new ATOM 611 N LYS A 39 21.770 1.945 -7.817 1.00 51.33 N ATOM 612 CA LYS A 39 21.405 3.331 -8.088 1.00 34.33 C ATOM 613 C LYS A 39 21.462 3.627 -9.583 1.00 23.30 C ATOM 614 O LYS A 39 20.573 4.277 -10.131 1.00 54.53 O ATOM 615 CB LYS A 39 22.336 4.282 -7.332 1.00 73.15 C ATOM 616 CG LYS A 39 21.680 4.954 -6.139 1.00 2.14 C ATOM 617 CD LYS A 39 22.714 5.544 -5.194 1.00 52.40 C ATOM 618 CE LYS A 39 22.056 6.236 -4.010 1.00 10.02 C ATOM 619 NZ LYS A 39 23.028 7.060 -3.239 1.00 53.31 N ATOM 0 H LYS A 39 22.736 1.815 -7.517 1.00 51.33 H new ATOM 0 HA LYS A 39 20.382 3.485 -7.745 1.00 34.33 H new ATOM 0 HB2 LYS A 39 23.210 3.727 -6.991 1.00 73.15 H new ATOM 0 HB3 LYS A 39 22.694 5.049 -8.019 1.00 73.15 H new ATOM 0 HG2 LYS A 39 21.011 5.742 -6.486 1.00 2.14 H new ATOM 0 HG3 LYS A 39 21.067 4.229 -5.603 1.00 2.14 H new ATOM 0 HD2 LYS A 39 23.373 4.754 -4.835 1.00 52.40 H new ATOM 0 HD3 LYS A 39 23.337 6.257 -5.734 1.00 52.40 H new ATOM 0 HE2 LYS A 39 21.244 6.870 -4.365 1.00 10.02 H new ATOM 0 HE3 LYS A 39 21.612 5.488 -3.353 1.00 10.02 H new ATOM 0 HZ1 LYS A 39 22.541 7.515 -2.441 1.00 53.31 H new ATOM 0 HZ2 LYS A 39 23.790 6.451 -2.878 1.00 53.31 H new ATOM 0 HZ3 LYS A 39 23.433 7.790 -3.859 1.00 53.31 H new ATOM 633 N ASP A 40 22.513 3.144 -10.237 1.00 20.12 N ATOM 634 CA ASP A 40 22.685 3.355 -11.670 1.00 20.45 C ATOM 635 C ASP A 40 21.797 2.406 -12.469 1.00 12.32 C ATOM 636 O ASP A 40 21.437 2.692 -13.611 1.00 31.12 O ATOM 637 CB ASP A 40 24.149 3.156 -12.064 1.00 24.32 C ATOM 638 CG ASP A 40 24.582 4.093 -13.174 1.00 64.42 C ATOM 639 OD1 ASP A 40 23.700 4.630 -13.876 1.00 14.04 O ATOM 640 OD2 ASP A 40 25.804 4.289 -13.341 1.00 41.04 O ATOM 0 H ASP A 40 23.258 2.604 -9.798 1.00 20.12 H new ATOM 0 HA ASP A 40 22.391 4.379 -11.900 1.00 20.45 H new ATOM 0 HB2 ASP A 40 24.782 3.315 -11.191 1.00 24.32 H new ATOM 0 HB3 ASP A 40 24.299 2.125 -12.384 1.00 24.32 H new ATOM 645 N TRP A 41 21.448 1.278 -11.861 1.00 64.24 N ATOM 646 CA TRP A 41 20.603 0.287 -12.517 1.00 70.44 C ATOM 647 C TRP A 41 19.394 -0.055 -11.653 1.00 40.05 C ATOM 648 O TRP A 41 19.539 -0.556 -10.538 1.00 55.04 O ATOM 649 CB TRP A 41 21.406 -0.980 -12.817 1.00 32.42 C ATOM 650 CG TRP A 41 22.514 -0.763 -13.802 1.00 52.53 C ATOM 651 CD1 TRP A 41 23.796 -0.383 -13.523 1.00 53.15 C ATOM 652 CD2 TRP A 41 22.437 -0.910 -15.224 1.00 41.44 C ATOM 653 NE1 TRP A 41 24.521 -0.285 -14.687 1.00 35.03 N ATOM 654 CE2 TRP A 41 23.710 -0.604 -15.744 1.00 42.11 C ATOM 655 CE3 TRP A 41 21.418 -1.272 -16.109 1.00 52.41 C ATOM 656 CZ2 TRP A 41 23.988 -0.649 -17.108 1.00 15.33 C ATOM 657 CZ3 TRP A 41 21.695 -1.315 -17.462 1.00 74.32 C ATOM 658 CH2 TRP A 41 22.971 -1.006 -17.951 1.00 71.11 C ATOM 0 H TRP A 41 21.737 1.027 -10.916 1.00 64.24 H new ATOM 0 HA TRP A 41 20.247 0.713 -13.455 1.00 70.44 H new ATOM 0 HB2 TRP A 41 21.826 -1.364 -11.887 1.00 32.42 H new ATOM 0 HB3 TRP A 41 20.732 -1.746 -13.202 1.00 32.42 H new ATOM 0 HD1 TRP A 41 24.183 -0.188 -12.534 1.00 53.15 H new ATOM 0 HE1 TRP A 41 25.503 -0.018 -14.753 1.00 35.03 H new ATOM 0 HE3 TRP A 41 20.431 -1.514 -15.742 1.00 52.41 H new ATOM 0 HZ2 TRP A 41 24.971 -0.411 -17.487 1.00 15.33 H new ATOM 0 HZ3 TRP A 41 20.914 -1.592 -18.155 1.00 74.32 H new ATOM 0 HH2 TRP A 41 23.156 -1.050 -19.014 1.00 71.11 H new ATOM 669 N TRP A 42 18.204 0.219 -12.175 1.00 33.41 N ATOM 670 CA TRP A 42 16.969 -0.061 -11.450 1.00 4.32 C ATOM 671 C TRP A 42 16.159 -1.145 -12.151 1.00 63.25 C ATOM 672 O TRP A 42 16.332 -1.388 -13.346 1.00 71.50 O ATOM 673 CB TRP A 42 16.133 1.213 -11.317 1.00 35.31 C ATOM 674 CG TRP A 42 15.763 1.535 -9.901 1.00 12.43 C ATOM 675 CD1 TRP A 42 14.864 0.870 -9.116 1.00 41.25 C ATOM 676 CD2 TRP A 42 16.281 2.605 -9.102 1.00 61.41 C ATOM 677 NE1 TRP A 42 14.793 1.462 -7.878 1.00 74.32 N ATOM 678 CE2 TRP A 42 15.653 2.527 -7.844 1.00 13.13 C ATOM 679 CE3 TRP A 42 17.216 3.618 -9.327 1.00 2.55 C ATOM 680 CZ2 TRP A 42 15.930 3.426 -6.817 1.00 71.11 C ATOM 681 CZ3 TRP A 42 17.490 4.510 -8.307 1.00 30.13 C ATOM 682 CH2 TRP A 42 16.849 4.409 -7.065 1.00 25.45 C ATOM 0 H TRP A 42 18.068 0.634 -13.097 1.00 33.41 H new ATOM 0 HA TRP A 42 17.234 -0.419 -10.455 1.00 4.32 H new ATOM 0 HB2 TRP A 42 16.689 2.050 -11.739 1.00 35.31 H new ATOM 0 HB3 TRP A 42 15.223 1.105 -11.907 1.00 35.31 H new ATOM 0 HD1 TRP A 42 14.293 0.006 -9.423 1.00 41.25 H new ATOM 0 HE1 TRP A 42 14.196 1.157 -7.109 1.00 74.32 H new ATOM 0 HE3 TRP A 42 17.716 3.703 -10.281 1.00 2.55 H new ATOM 0 HZ2 TRP A 42 15.437 3.350 -5.859 1.00 71.11 H new ATOM 0 HZ3 TRP A 42 18.210 5.298 -8.470 1.00 30.13 H new ATOM 0 HH2 TRP A 42 17.085 5.121 -6.288 1.00 25.45 H new ATOM 693 N LYS A 43 15.275 -1.795 -11.403 1.00 14.44 N ATOM 694 CA LYS A 43 14.436 -2.853 -11.953 1.00 11.12 C ATOM 695 C LYS A 43 12.967 -2.612 -11.619 1.00 22.33 C ATOM 696 O LYS A 43 12.572 -2.645 -10.453 1.00 73.23 O ATOM 697 CB LYS A 43 14.877 -4.215 -11.411 1.00 54.32 C ATOM 698 CG LYS A 43 15.869 -4.934 -12.309 1.00 33.04 C ATOM 699 CD LYS A 43 15.165 -5.701 -13.415 1.00 70.24 C ATOM 700 CE LYS A 43 16.146 -6.170 -14.479 1.00 72.31 C ATOM 701 NZ LYS A 43 15.467 -6.938 -15.560 1.00 11.41 N ATOM 0 H LYS A 43 15.121 -1.607 -10.412 1.00 14.44 H new ATOM 0 HA LYS A 43 14.549 -2.846 -13.037 1.00 11.12 H new ATOM 0 HB2 LYS A 43 15.324 -4.078 -10.426 1.00 54.32 H new ATOM 0 HB3 LYS A 43 13.998 -4.845 -11.277 1.00 54.32 H new ATOM 0 HG2 LYS A 43 16.556 -4.210 -12.747 1.00 33.04 H new ATOM 0 HG3 LYS A 43 16.469 -5.622 -11.713 1.00 33.04 H new ATOM 0 HD2 LYS A 43 14.648 -6.562 -12.990 1.00 70.24 H new ATOM 0 HD3 LYS A 43 14.406 -5.067 -13.873 1.00 70.24 H new ATOM 0 HE2 LYS A 43 16.654 -5.307 -14.910 1.00 72.31 H new ATOM 0 HE3 LYS A 43 16.912 -6.793 -14.017 1.00 72.31 H new ATOM 0 HZ1 LYS A 43 16.181 -7.368 -16.181 1.00 11.41 H new ATOM 0 HZ2 LYS A 43 14.879 -7.685 -15.138 1.00 11.41 H new ATOM 0 HZ3 LYS A 43 14.866 -6.297 -16.116 1.00 11.41 H new ATOM 715 N VAL A 44 12.162 -2.372 -12.649 1.00 3.41 N ATOM 716 CA VAL A 44 10.737 -2.128 -12.465 1.00 34.24 C ATOM 717 C VAL A 44 9.902 -3.171 -13.199 1.00 34.32 C ATOM 718 O VAL A 44 10.390 -3.845 -14.105 1.00 50.13 O ATOM 719 CB VAL A 44 10.338 -0.726 -12.961 1.00 11.44 C ATOM 720 CG1 VAL A 44 11.096 0.347 -12.194 1.00 42.53 C ATOM 721 CG2 VAL A 44 10.585 -0.600 -14.456 1.00 44.43 C ATOM 0 H VAL A 44 12.473 -2.341 -13.620 1.00 3.41 H new ATOM 0 HA VAL A 44 10.540 -2.196 -11.395 1.00 34.24 H new ATOM 0 HB VAL A 44 9.273 -0.584 -12.779 1.00 11.44 H new ATOM 0 HG11 VAL A 44 10.801 1.331 -12.558 1.00 42.53 H new ATOM 0 HG12 VAL A 44 10.863 0.268 -11.132 1.00 42.53 H new ATOM 0 HG13 VAL A 44 12.167 0.211 -12.342 1.00 42.53 H new ATOM 0 HG21 VAL A 44 10.297 0.397 -14.790 1.00 44.43 H new ATOM 0 HG22 VAL A 44 11.643 -0.762 -14.665 1.00 44.43 H new ATOM 0 HG23 VAL A 44 9.992 -1.345 -14.987 1.00 44.43 H new ATOM 731 N GLU A 45 8.640 -3.298 -12.801 1.00 34.22 N ATOM 732 CA GLU A 45 7.737 -4.260 -13.422 1.00 34.24 C ATOM 733 C GLU A 45 6.412 -3.601 -13.795 1.00 42.44 C ATOM 734 O GLU A 45 5.854 -2.821 -13.023 1.00 20.51 O ATOM 735 CB GLU A 45 7.484 -5.438 -12.479 1.00 31.35 C ATOM 736 CG GLU A 45 6.668 -6.556 -13.106 1.00 20.11 C ATOM 737 CD GLU A 45 5.424 -6.891 -12.305 1.00 45.23 C ATOM 738 OE1 GLU A 45 5.462 -6.754 -11.065 1.00 22.23 O ATOM 739 OE2 GLU A 45 4.413 -7.289 -12.920 1.00 62.44 O ATOM 0 H GLU A 45 8.220 -2.747 -12.052 1.00 34.22 H new ATOM 0 HA GLU A 45 8.210 -4.627 -14.333 1.00 34.24 H new ATOM 0 HB2 GLU A 45 8.442 -5.840 -12.149 1.00 31.35 H new ATOM 0 HB3 GLU A 45 6.967 -5.076 -11.590 1.00 31.35 H new ATOM 0 HG2 GLU A 45 6.378 -6.267 -14.116 1.00 20.11 H new ATOM 0 HG3 GLU A 45 7.289 -7.447 -13.196 1.00 20.11 H new ATOM 746 N VAL A 46 5.915 -3.918 -14.987 1.00 20.44 N ATOM 747 CA VAL A 46 4.656 -3.358 -15.464 1.00 5.11 C ATOM 748 C VAL A 46 3.673 -4.459 -15.842 1.00 35.55 C ATOM 749 O VAL A 46 3.765 -5.046 -16.919 1.00 5.01 O ATOM 750 CB VAL A 46 4.876 -2.441 -16.682 1.00 24.40 C ATOM 751 CG1 VAL A 46 3.571 -1.777 -17.093 1.00 62.55 C ATOM 752 CG2 VAL A 46 5.942 -1.399 -16.378 1.00 52.13 C ATOM 0 H VAL A 46 6.365 -4.560 -15.640 1.00 20.44 H new ATOM 0 HA VAL A 46 4.241 -2.770 -14.646 1.00 5.11 H new ATOM 0 HB VAL A 46 5.224 -3.050 -17.516 1.00 24.40 H new ATOM 0 HG11 VAL A 46 3.746 -1.133 -17.955 1.00 62.55 H new ATOM 0 HG12 VAL A 46 2.840 -2.542 -17.354 1.00 62.55 H new ATOM 0 HG13 VAL A 46 3.190 -1.179 -16.265 1.00 62.55 H new ATOM 0 HG21 VAL A 46 6.085 -0.760 -17.249 1.00 52.13 H new ATOM 0 HG22 VAL A 46 5.626 -0.792 -15.530 1.00 52.13 H new ATOM 0 HG23 VAL A 46 6.880 -1.898 -16.137 1.00 52.13 H new ATOM 762 N ASN A 47 2.729 -4.735 -14.947 1.00 22.03 N ATOM 763 CA ASN A 47 1.727 -5.767 -15.186 1.00 52.01 C ATOM 764 C ASN A 47 2.359 -7.155 -15.161 1.00 73.43 C ATOM 765 O ASN A 47 2.209 -7.899 -14.192 1.00 25.33 O ATOM 766 CB ASN A 47 1.035 -5.533 -16.531 1.00 31.24 C ATOM 767 CG ASN A 47 -0.437 -5.202 -16.374 1.00 23.23 C ATOM 768 OD1 ASN A 47 -0.861 -4.074 -16.624 1.00 4.25 O ATOM 769 ND2 ASN A 47 -1.223 -6.188 -15.958 1.00 15.24 N ATOM 0 H ASN A 47 2.637 -4.258 -14.050 1.00 22.03 H new ATOM 0 HA ASN A 47 0.986 -5.711 -14.389 1.00 52.01 H new ATOM 0 HB2 ASN A 47 1.534 -4.718 -17.056 1.00 31.24 H new ATOM 0 HB3 ASN A 47 1.140 -6.424 -17.151 1.00 31.24 H new ATOM 0 HD21 ASN A 47 -2.222 -6.026 -15.834 1.00 15.24 H new ATOM 0 HD22 ASN A 47 -0.827 -7.108 -15.763 1.00 15.24 H new ATOM 776 N ASP A 48 3.065 -7.497 -16.233 1.00 51.03 N ATOM 777 CA ASP A 48 3.721 -8.795 -16.335 1.00 25.25 C ATOM 778 C ASP A 48 4.969 -8.706 -17.208 1.00 22.53 C ATOM 779 O ASP A 48 5.343 -9.672 -17.873 1.00 61.50 O ATOM 780 CB ASP A 48 2.757 -9.835 -16.906 1.00 72.31 C ATOM 781 CG ASP A 48 3.119 -11.249 -16.495 1.00 44.21 C ATOM 782 OD1 ASP A 48 3.542 -11.439 -15.336 1.00 22.22 O ATOM 783 OD2 ASP A 48 2.981 -12.165 -17.333 1.00 42.31 O ATOM 0 H ASP A 48 3.198 -6.893 -17.044 1.00 51.03 H new ATOM 0 HA ASP A 48 4.021 -9.102 -15.333 1.00 25.25 H new ATOM 0 HB2 ASP A 48 1.745 -9.610 -16.570 1.00 72.31 H new ATOM 0 HB3 ASP A 48 2.755 -9.765 -17.994 1.00 72.31 H new ATOM 788 N ARG A 49 5.608 -7.541 -17.201 1.00 63.30 N ATOM 789 CA ARG A 49 6.812 -7.326 -17.994 1.00 45.21 C ATOM 790 C ARG A 49 7.971 -6.873 -17.111 1.00 4.21 C ATOM 791 O ARG A 49 7.763 -6.373 -16.006 1.00 53.41 O ATOM 792 CB ARG A 49 6.551 -6.285 -19.085 1.00 22.15 C ATOM 793 CG ARG A 49 5.577 -6.754 -20.153 1.00 13.32 C ATOM 794 CD ARG A 49 6.226 -6.776 -21.528 1.00 12.32 C ATOM 795 NE ARG A 49 5.867 -5.603 -22.321 1.00 63.01 N ATOM 796 CZ ARG A 49 4.702 -5.465 -22.944 1.00 22.30 C ATOM 797 NH1 ARG A 49 3.788 -6.422 -22.866 1.00 34.04 N ATOM 798 NH2 ARG A 49 4.450 -4.368 -23.647 1.00 32.52 N ATOM 0 H ARG A 49 5.312 -6.732 -16.655 1.00 63.30 H new ATOM 0 HA ARG A 49 7.082 -8.273 -18.462 1.00 45.21 H new ATOM 0 HB2 ARG A 49 6.162 -5.377 -18.624 1.00 22.15 H new ATOM 0 HB3 ARG A 49 7.497 -6.022 -19.558 1.00 22.15 H new ATOM 0 HG2 ARG A 49 5.215 -7.752 -19.904 1.00 13.32 H new ATOM 0 HG3 ARG A 49 4.709 -6.095 -20.170 1.00 13.32 H new ATOM 0 HD2 ARG A 49 7.309 -6.821 -21.417 1.00 12.32 H new ATOM 0 HD3 ARG A 49 5.922 -7.679 -22.058 1.00 12.32 H new ATOM 0 HE ARG A 49 6.548 -4.848 -22.401 1.00 63.01 H new ATOM 0 HH11 ARG A 49 3.979 -7.267 -22.327 1.00 34.04 H new ATOM 0 HH12 ARG A 49 2.894 -6.314 -23.345 1.00 34.04 H new ATOM 0 HH21 ARG A 49 5.151 -3.630 -23.709 1.00 32.52 H new ATOM 0 HH22 ARG A 49 3.555 -4.263 -24.125 1.00 32.52 H new ATOM 812 N GLN A 50 9.192 -7.052 -17.606 1.00 75.54 N ATOM 813 CA GLN A 50 10.383 -6.663 -16.861 1.00 71.23 C ATOM 814 C GLN A 50 11.572 -6.473 -17.797 1.00 23.31 C ATOM 815 O GLN A 50 11.700 -7.169 -18.803 1.00 43.15 O ATOM 816 CB GLN A 50 10.715 -7.716 -15.803 1.00 32.34 C ATOM 817 CG GLN A 50 11.138 -9.054 -16.387 1.00 64.22 C ATOM 818 CD GLN A 50 10.899 -10.209 -15.435 1.00 22.22 C ATOM 819 OE1 GLN A 50 10.109 -11.110 -15.719 1.00 40.20 O ATOM 820 NE2 GLN A 50 11.582 -10.189 -14.296 1.00 64.34 N ATOM 0 H GLN A 50 9.382 -7.464 -18.520 1.00 75.54 H new ATOM 0 HA GLN A 50 10.178 -5.714 -16.366 1.00 71.23 H new ATOM 0 HB2 GLN A 50 11.514 -7.339 -15.165 1.00 32.34 H new ATOM 0 HB3 GLN A 50 9.843 -7.866 -15.166 1.00 32.34 H new ATOM 0 HG2 GLN A 50 10.590 -9.232 -17.312 1.00 64.22 H new ATOM 0 HG3 GLN A 50 12.196 -9.015 -16.646 1.00 64.22 H new ATOM 0 HE21 GLN A 50 12.226 -9.423 -14.101 1.00 64.34 H new ATOM 0 HE22 GLN A 50 11.462 -10.940 -13.616 1.00 64.34 H new ATOM 829 N GLY A 51 12.441 -5.525 -17.457 1.00 72.44 N ATOM 830 CA GLY A 51 13.608 -5.261 -18.278 1.00 2.31 C ATOM 831 C GLY A 51 14.536 -4.238 -17.653 1.00 2.10 C ATOM 832 O GLY A 51 14.702 -4.203 -16.434 1.00 3.15 O ATOM 0 H GLY A 51 12.357 -4.936 -16.628 1.00 72.44 H new ATOM 0 HA2 GLY A 51 14.153 -6.191 -18.439 1.00 2.31 H new ATOM 0 HA3 GLY A 51 13.287 -4.906 -19.257 1.00 2.31 H new ATOM 836 N PHE A 52 15.144 -3.404 -18.490 1.00 3.32 N ATOM 837 CA PHE A 52 16.063 -2.377 -18.013 1.00 1.24 C ATOM 838 C PHE A 52 15.404 -1.001 -18.043 1.00 42.22 C ATOM 839 O PHE A 52 15.060 -0.488 -19.108 1.00 73.52 O ATOM 840 CB PHE A 52 17.335 -2.365 -18.863 1.00 53.14 C ATOM 841 CG PHE A 52 17.949 -3.724 -19.042 1.00 3.31 C ATOM 842 CD1 PHE A 52 18.560 -4.368 -17.978 1.00 2.50 C ATOM 843 CD2 PHE A 52 17.917 -4.357 -20.274 1.00 14.11 C ATOM 844 CE1 PHE A 52 19.126 -5.618 -18.139 1.00 24.23 C ATOM 845 CE2 PHE A 52 18.481 -5.608 -20.440 1.00 53.45 C ATOM 846 CZ PHE A 52 19.087 -6.238 -19.372 1.00 24.50 C ATOM 0 H PHE A 52 15.017 -3.419 -19.502 1.00 3.32 H new ATOM 0 HA PHE A 52 16.327 -2.612 -16.982 1.00 1.24 H new ATOM 0 HB2 PHE A 52 17.104 -1.948 -19.843 1.00 53.14 H new ATOM 0 HB3 PHE A 52 18.066 -1.703 -18.399 1.00 53.14 H new ATOM 0 HD1 PHE A 52 18.594 -3.887 -17.012 1.00 2.50 H new ATOM 0 HD2 PHE A 52 17.446 -3.868 -21.114 1.00 14.11 H new ATOM 0 HE1 PHE A 52 19.598 -6.110 -17.301 1.00 24.23 H new ATOM 0 HE2 PHE A 52 18.447 -6.092 -21.405 1.00 53.45 H new ATOM 0 HZ PHE A 52 19.530 -7.215 -19.501 1.00 24.50 H new ATOM 856 N VAL A 53 15.232 -0.408 -16.866 1.00 54.41 N ATOM 857 CA VAL A 53 14.615 0.909 -16.757 1.00 32.13 C ATOM 858 C VAL A 53 15.665 1.991 -16.536 1.00 44.40 C ATOM 859 O VAL A 53 16.563 1.859 -15.704 1.00 44.42 O ATOM 860 CB VAL A 53 13.594 0.957 -15.604 1.00 24.41 C ATOM 861 CG1 VAL A 53 14.260 0.591 -14.286 1.00 71.40 C ATOM 862 CG2 VAL A 53 12.949 2.332 -15.521 1.00 32.51 C ATOM 0 H VAL A 53 15.511 -0.818 -15.975 1.00 54.41 H new ATOM 0 HA VAL A 53 14.098 1.095 -17.698 1.00 32.13 H new ATOM 0 HB VAL A 53 12.811 0.225 -15.804 1.00 24.41 H new ATOM 0 HG11 VAL A 53 13.524 0.630 -13.483 1.00 71.40 H new ATOM 0 HG12 VAL A 53 14.670 -0.417 -14.353 1.00 71.40 H new ATOM 0 HG13 VAL A 53 15.064 1.297 -14.076 1.00 71.40 H new ATOM 0 HG21 VAL A 53 12.231 2.348 -14.701 1.00 32.51 H new ATOM 0 HG22 VAL A 53 13.718 3.084 -15.345 1.00 32.51 H new ATOM 0 HG23 VAL A 53 12.436 2.550 -16.458 1.00 32.51 H new ATOM 872 N PRO A 54 15.552 3.090 -17.298 1.00 24.42 N ATOM 873 CA PRO A 54 16.484 4.218 -17.203 1.00 74.22 C ATOM 874 C PRO A 54 16.329 4.989 -15.897 1.00 22.13 C ATOM 875 O PRO A 54 15.341 5.694 -15.694 1.00 41.04 O ATOM 876 CB PRO A 54 16.095 5.099 -18.393 1.00 64.22 C ATOM 877 CG PRO A 54 14.667 4.768 -18.659 1.00 43.43 C ATOM 878 CD PRO A 54 14.507 3.315 -18.310 1.00 34.33 C ATOM 0 HA PRO A 54 17.524 3.891 -17.218 1.00 74.22 H new ATOM 0 HB2 PRO A 54 16.219 6.157 -18.160 1.00 64.22 H new ATOM 0 HB3 PRO A 54 16.719 4.889 -19.262 1.00 64.22 H new ATOM 0 HG2 PRO A 54 14.004 5.389 -18.057 1.00 43.43 H new ATOM 0 HG3 PRO A 54 14.412 4.949 -19.703 1.00 43.43 H new ATOM 0 HD2 PRO A 54 13.513 3.104 -17.915 1.00 34.33 H new ATOM 0 HD3 PRO A 54 14.647 2.675 -19.181 1.00 34.33 H new ATOM 886 N ALA A 55 17.312 4.850 -15.013 1.00 43.24 N ATOM 887 CA ALA A 55 17.286 5.536 -13.727 1.00 43.15 C ATOM 888 C ALA A 55 17.317 7.050 -13.912 1.00 22.52 C ATOM 889 O ALA A 55 16.748 7.793 -13.113 1.00 43.22 O ATOM 890 CB ALA A 55 18.455 5.084 -12.864 1.00 73.42 C ATOM 0 H ALA A 55 18.136 4.268 -15.164 1.00 43.24 H new ATOM 0 HA ALA A 55 16.355 5.276 -13.223 1.00 43.15 H new ATOM 0 HB1 ALA A 55 18.423 5.604 -11.907 1.00 73.42 H new ATOM 0 HB2 ALA A 55 18.388 4.009 -12.695 1.00 73.42 H new ATOM 0 HB3 ALA A 55 19.392 5.314 -13.371 1.00 73.42 H new ATOM 896 N ALA A 56 17.986 7.499 -14.969 1.00 33.31 N ATOM 897 CA ALA A 56 18.089 8.924 -15.258 1.00 64.52 C ATOM 898 C ALA A 56 16.761 9.480 -15.760 1.00 22.03 C ATOM 899 O ALA A 56 16.585 10.694 -15.863 1.00 42.15 O ATOM 900 CB ALA A 56 19.189 9.176 -16.279 1.00 51.12 C ATOM 0 H ALA A 56 18.464 6.897 -15.639 1.00 33.31 H new ATOM 0 HA ALA A 56 18.342 9.441 -14.332 1.00 64.52 H new ATOM 0 HB1 ALA A 56 19.255 10.244 -16.486 1.00 51.12 H new ATOM 0 HB2 ALA A 56 20.141 8.823 -15.883 1.00 51.12 H new ATOM 0 HB3 ALA A 56 18.959 8.641 -17.201 1.00 51.12 H new ATOM 906 N TYR A 57 15.830 8.585 -16.070 1.00 52.11 N ATOM 907 CA TYR A 57 14.518 8.987 -16.564 1.00 42.11 C ATOM 908 C TYR A 57 13.430 8.666 -15.544 1.00 61.11 C ATOM 909 O TYR A 57 12.252 8.561 -15.887 1.00 44.11 O ATOM 910 CB TYR A 57 14.213 8.288 -17.890 1.00 32.54 C ATOM 911 CG TYR A 57 14.814 8.979 -19.092 1.00 44.20 C ATOM 912 CD1 TYR A 57 14.612 10.337 -19.310 1.00 62.53 C ATOM 913 CD2 TYR A 57 15.584 8.276 -20.010 1.00 60.31 C ATOM 914 CE1 TYR A 57 15.159 10.973 -20.408 1.00 22.22 C ATOM 915 CE2 TYR A 57 16.136 8.904 -21.110 1.00 21.14 C ATOM 916 CZ TYR A 57 15.921 10.252 -21.304 1.00 52.42 C ATOM 917 OH TYR A 57 16.468 10.882 -22.399 1.00 32.51 O ATOM 0 H TYR A 57 15.959 7.577 -15.988 1.00 52.11 H new ATOM 0 HA TYR A 57 14.533 10.065 -16.725 1.00 42.11 H new ATOM 0 HB2 TYR A 57 14.586 7.265 -17.846 1.00 32.54 H new ATOM 0 HB3 TYR A 57 13.132 8.228 -18.019 1.00 32.54 H new ATOM 0 HD1 TYR A 57 14.018 10.905 -18.609 1.00 62.53 H new ATOM 0 HD2 TYR A 57 15.754 7.220 -19.861 1.00 60.31 H new ATOM 0 HE1 TYR A 57 14.991 12.028 -20.564 1.00 22.22 H new ATOM 0 HE2 TYR A 57 16.732 8.342 -21.814 1.00 21.14 H new ATOM 0 HH TYR A 57 15.779 11.001 -23.086 1.00 32.51 H new ATOM 927 N VAL A 58 13.834 8.511 -14.287 1.00 15.20 N ATOM 928 CA VAL A 58 12.894 8.204 -13.215 1.00 24.30 C ATOM 929 C VAL A 58 13.341 8.827 -11.897 1.00 40.14 C ATOM 930 O VAL A 58 14.531 9.053 -11.676 1.00 70.21 O ATOM 931 CB VAL A 58 12.739 6.683 -13.024 1.00 53.31 C ATOM 932 CG1 VAL A 58 12.342 6.018 -14.333 1.00 42.45 C ATOM 933 CG2 VAL A 58 14.025 6.081 -12.479 1.00 35.24 C ATOM 0 H VAL A 58 14.805 8.593 -13.986 1.00 15.20 H new ATOM 0 HA VAL A 58 11.932 8.627 -13.506 1.00 24.30 H new ATOM 0 HB VAL A 58 11.945 6.504 -12.299 1.00 53.31 H new ATOM 0 HG11 VAL A 58 12.237 4.944 -14.178 1.00 42.45 H new ATOM 0 HG12 VAL A 58 11.393 6.429 -14.677 1.00 42.45 H new ATOM 0 HG13 VAL A 58 13.111 6.203 -15.083 1.00 42.45 H new ATOM 0 HG21 VAL A 58 13.898 5.006 -12.350 1.00 35.24 H new ATOM 0 HG22 VAL A 58 14.840 6.269 -13.179 1.00 35.24 H new ATOM 0 HG23 VAL A 58 14.261 6.536 -11.517 1.00 35.24 H new ATOM 943 N LYS A 59 12.379 9.103 -11.024 1.00 12.52 N ATOM 944 CA LYS A 59 12.671 9.700 -9.726 1.00 24.43 C ATOM 945 C LYS A 59 11.663 9.242 -8.677 1.00 31.40 C ATOM 946 O LYS A 59 10.461 9.470 -8.815 1.00 31.22 O ATOM 947 CB LYS A 59 12.659 11.226 -9.828 1.00 53.52 C ATOM 948 CG LYS A 59 14.041 11.837 -9.981 1.00 10.32 C ATOM 949 CD LYS A 59 14.096 13.243 -9.407 1.00 53.33 C ATOM 950 CE LYS A 59 15.465 13.874 -9.607 1.00 42.05 C ATOM 951 NZ LYS A 59 15.669 15.052 -8.719 1.00 73.13 N ATOM 0 H LYS A 59 11.389 8.923 -11.192 1.00 12.52 H new ATOM 0 HA LYS A 59 13.664 9.371 -9.419 1.00 24.43 H new ATOM 0 HB2 LYS A 59 12.045 11.520 -10.679 1.00 53.52 H new ATOM 0 HB3 LYS A 59 12.186 11.638 -8.936 1.00 53.52 H new ATOM 0 HG2 LYS A 59 14.775 11.208 -9.477 1.00 10.32 H new ATOM 0 HG3 LYS A 59 14.314 11.863 -11.036 1.00 10.32 H new ATOM 0 HD2 LYS A 59 13.336 13.862 -9.884 1.00 53.33 H new ATOM 0 HD3 LYS A 59 13.860 13.212 -8.343 1.00 53.33 H new ATOM 0 HE2 LYS A 59 16.239 13.132 -9.410 1.00 42.05 H new ATOM 0 HE3 LYS A 59 15.575 14.180 -10.647 1.00 42.05 H new ATOM 0 HZ1 LYS A 59 16.665 15.094 -8.421 1.00 73.13 H new ATOM 0 HZ2 LYS A 59 15.425 15.922 -9.234 1.00 73.13 H new ATOM 0 HZ3 LYS A 59 15.060 14.964 -7.880 1.00 73.13 H new ATOM 965 N LYS A 60 12.160 8.595 -7.628 1.00 13.33 N ATOM 966 CA LYS A 60 11.303 8.107 -6.553 1.00 42.33 C ATOM 967 C LYS A 60 11.413 9.000 -5.322 1.00 1.54 C ATOM 968 O LYS A 60 12.485 9.523 -5.015 1.00 4.31 O ATOM 969 CB LYS A 60 11.677 6.669 -6.188 1.00 64.03 C ATOM 970 CG LYS A 60 11.005 6.168 -4.921 1.00 44.54 C ATOM 971 CD LYS A 60 10.652 4.694 -5.023 1.00 4.04 C ATOM 972 CE LYS A 60 11.701 3.822 -4.350 1.00 5.35 C ATOM 973 NZ LYS A 60 11.099 2.911 -3.337 1.00 41.32 N ATOM 0 H LYS A 60 13.152 8.396 -7.499 1.00 13.33 H new ATOM 0 HA LYS A 60 10.272 8.129 -6.905 1.00 42.33 H new ATOM 0 HB2 LYS A 60 11.409 6.012 -7.015 1.00 64.03 H new ATOM 0 HB3 LYS A 60 12.758 6.604 -6.066 1.00 64.03 H new ATOM 0 HG2 LYS A 60 11.667 6.326 -4.070 1.00 44.54 H new ATOM 0 HG3 LYS A 60 10.101 6.748 -4.734 1.00 44.54 H new ATOM 0 HD2 LYS A 60 9.681 4.519 -4.561 1.00 4.04 H new ATOM 0 HD3 LYS A 60 10.562 4.412 -6.072 1.00 4.04 H new ATOM 0 HE2 LYS A 60 12.222 3.232 -5.105 1.00 5.35 H new ATOM 0 HE3 LYS A 60 12.447 4.456 -3.870 1.00 5.35 H new ATOM 0 HZ1 LYS A 60 11.718 2.087 -3.199 1.00 41.32 H new ATOM 0 HZ2 LYS A 60 10.991 3.418 -2.435 1.00 41.32 H new ATOM 0 HZ3 LYS A 60 10.166 2.591 -3.668 1.00 41.32 H new ATOM 987 N LEU A 61 10.299 9.170 -4.618 1.00 51.35 N ATOM 988 CA LEU A 61 10.270 9.999 -3.418 1.00 44.34 C ATOM 989 C LEU A 61 10.595 11.452 -3.752 1.00 74.12 C ATOM 990 O LEU A 61 11.202 12.163 -2.951 1.00 70.42 O ATOM 991 CB LEU A 61 11.264 9.468 -2.384 1.00 30.22 C ATOM 992 CG LEU A 61 10.959 9.807 -0.924 1.00 44.54 C ATOM 993 CD1 LEU A 61 10.432 8.584 -0.191 1.00 11.44 C ATOM 994 CD2 LEU A 61 12.201 10.352 -0.233 1.00 50.13 C ATOM 0 H LEU A 61 9.404 8.744 -4.858 1.00 51.35 H new ATOM 0 HA LEU A 61 9.264 9.957 -3.001 1.00 44.34 H new ATOM 0 HB2 LEU A 61 11.314 8.384 -2.481 1.00 30.22 H new ATOM 0 HB3 LEU A 61 12.253 9.856 -2.627 1.00 30.22 H new ATOM 0 HG LEU A 61 10.188 10.577 -0.903 1.00 44.54 H new ATOM 0 HD11 LEU A 61 10.221 8.844 0.846 1.00 11.44 H new ATOM 0 HD12 LEU A 61 9.517 8.238 -0.672 1.00 11.44 H new ATOM 0 HD13 LEU A 61 11.180 7.792 -0.221 1.00 11.44 H new ATOM 0 HD21 LEU A 61 11.966 10.588 0.805 1.00 50.13 H new ATOM 0 HD22 LEU A 61 12.993 9.604 -0.265 1.00 50.13 H new ATOM 0 HD23 LEU A 61 12.535 11.255 -0.744 1.00 50.13 H new ATOM 1006 N ASP A 62 10.184 11.887 -4.938 1.00 72.33 N ATOM 1007 CA ASP A 62 10.427 13.256 -5.377 1.00 64.11 C ATOM 1008 C ASP A 62 9.342 13.718 -6.344 1.00 14.12 C ATOM 1009 O ASP A 62 9.013 12.985 -7.276 1.00 3.25 O ATOM 1010 CB ASP A 62 11.800 13.364 -6.043 1.00 1.11 C ATOM 1011 CG ASP A 62 12.422 14.735 -5.867 1.00 44.32 C ATOM 1012 OD1 ASP A 62 11.672 15.698 -5.604 1.00 73.31 O ATOM 1013 OD2 ASP A 62 13.660 14.846 -5.994 1.00 1.35 O ATOM 0 H ASP A 62 9.681 11.311 -5.613 1.00 72.33 H new ATOM 0 HA ASP A 62 10.405 13.902 -4.499 1.00 64.11 H new ATOM 0 HB2 ASP A 62 12.465 12.610 -5.622 1.00 1.11 H new ATOM 0 HB3 ASP A 62 11.703 13.146 -7.107 1.00 1.11 H new HETATM 1018 N NH2 A 90 8.813 14.909 -6.104 1.00 4.21 N TER 1019 NH2 A 90