USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 282 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0677 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0867 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -44:sc= 0.833 USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0334) USER MOD Single : A 27 HIS : no HD1:sc= -0.809 K(o=-0.81,f=-0.066) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 42 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.759 10.091 5.996 1.00 0.00 N ATOM 2 CA GLY A 1 10.276 11.434 5.736 1.00 0.00 C ATOM 3 C GLY A 1 10.190 11.743 4.255 1.00 0.00 C ATOM 4 O GLY A 1 10.173 10.835 3.424 1.00 0.00 O ATOM 0 H1 GLY A 1 10.094 9.599 6.625 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.837 9.570 5.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.693 10.140 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.291 11.556 6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.938 12.154 6.216 1.00 0.00 H new ATOM 8 N SER A 2 10.136 13.029 3.922 1.00 0.00 N ATOM 9 CA SER A 2 10.046 13.456 2.531 1.00 0.00 C ATOM 10 C SER A 2 10.776 14.779 2.320 1.00 0.00 C ATOM 11 O SER A 2 10.892 15.589 3.239 1.00 0.00 O ATOM 12 CB SER A 2 8.581 13.596 2.112 1.00 0.00 C ATOM 13 OG SER A 2 7.770 12.635 2.764 1.00 0.00 O ATOM 0 H SER A 2 10.153 13.793 4.597 1.00 0.00 H new ATOM 0 HA SER A 2 10.522 12.696 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.226 14.598 2.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.495 13.476 1.032 1.00 0.00 H new ATOM 0 HG SER A 2 6.839 12.747 2.480 1.00 0.00 H new ATOM 19 N MET A 3 11.266 14.989 1.103 1.00 0.00 N ATOM 20 CA MET A 3 11.984 16.214 0.770 1.00 0.00 C ATOM 21 C MET A 3 11.121 17.135 -0.087 1.00 0.00 C ATOM 22 O MET A 3 11.184 18.358 0.043 1.00 0.00 O ATOM 23 CB MET A 3 13.284 15.885 0.035 1.00 0.00 C ATOM 24 CG MET A 3 14.473 15.687 0.961 1.00 0.00 C ATOM 25 SD MET A 3 15.807 14.751 0.189 1.00 0.00 S ATOM 26 CE MET A 3 17.241 15.581 0.870 1.00 0.00 C ATOM 0 H MET A 3 11.179 14.328 0.331 1.00 0.00 H new ATOM 0 HA MET A 3 12.222 16.730 1.700 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.139 14.980 -0.555 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.509 16.689 -0.665 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.851 16.660 1.274 1.00 0.00 H new ATOM 0 HG3 MET A 3 14.145 15.168 1.862 1.00 0.00 H new ATOM 0 HE1 MET A 3 18.148 15.115 0.485 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.223 16.632 0.583 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.225 15.502 1.957 1.00 0.00 H new ATOM 36 N ILE A 4 10.316 16.540 -0.961 1.00 0.00 N ATOM 37 CA ILE A 4 9.440 17.307 -1.837 1.00 0.00 C ATOM 38 C ILE A 4 8.181 17.753 -1.102 1.00 0.00 C ATOM 39 O ILE A 4 7.560 16.973 -0.379 1.00 0.00 O ATOM 40 CB ILE A 4 9.034 16.493 -3.080 1.00 0.00 C ATOM 41 CG1 ILE A 4 10.271 15.888 -3.747 1.00 0.00 C ATOM 42 CG2 ILE A 4 8.272 17.370 -4.062 1.00 0.00 C ATOM 43 CD1 ILE A 4 11.232 16.923 -4.290 1.00 0.00 C ATOM 0 H ILE A 4 10.253 15.529 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 4 10.002 18.185 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 4 8.380 15.680 -2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.794 15.262 -3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.953 15.237 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.992 16.780 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.373 17.757 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.904 18.202 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 4 12.085 16.422 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.725 17.534 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.579 17.559 -3.476 1.00 0.00 H new ATOM 55 N THR A 5 7.807 19.015 -1.293 1.00 0.00 N ATOM 56 CA THR A 5 6.621 19.566 -0.649 1.00 0.00 C ATOM 57 C THR A 5 5.553 19.924 -1.677 1.00 0.00 C ATOM 58 O THR A 5 5.294 21.094 -1.956 1.00 0.00 O ATOM 59 CB THR A 5 6.962 20.820 0.178 1.00 0.00 C ATOM 60 OG1 THR A 5 8.065 21.513 -0.416 1.00 0.00 O ATOM 61 CG2 THR A 5 7.304 20.445 1.612 1.00 0.00 C ATOM 0 H THR A 5 8.308 19.674 -1.888 1.00 0.00 H new ATOM 0 HA THR A 5 6.236 18.794 0.017 1.00 0.00 H new ATOM 0 HB THR A 5 6.088 21.471 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.275 22.310 0.115 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.541 21.346 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.452 19.943 2.070 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.165 19.776 1.618 1.00 0.00 H new ATOM 69 N PRO A 6 4.918 18.893 -2.255 1.00 0.00 N ATOM 70 CA PRO A 6 3.867 19.075 -3.261 1.00 0.00 C ATOM 71 C PRO A 6 2.589 19.656 -2.665 1.00 0.00 C ATOM 72 O PRO A 6 2.025 19.102 -1.722 1.00 0.00 O ATOM 73 CB PRO A 6 3.620 17.655 -3.776 1.00 0.00 C ATOM 74 CG PRO A 6 4.038 16.767 -2.655 1.00 0.00 C ATOM 75 CD PRO A 6 5.177 17.472 -1.971 1.00 0.00 C ATOM 0 HA PRO A 6 4.164 19.779 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.571 17.503 -4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.199 17.454 -4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.213 16.597 -1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.350 15.791 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.188 17.272 -0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.142 17.153 -2.365 1.00 0.00 H new ATOM 83 N SER A 7 2.137 20.774 -3.223 1.00 0.00 N ATOM 84 CA SER A 7 0.927 21.432 -2.744 1.00 0.00 C ATOM 85 C SER A 7 0.024 21.823 -3.910 1.00 0.00 C ATOM 86 O SER A 7 -0.766 22.763 -3.812 1.00 0.00 O ATOM 87 CB SER A 7 1.286 22.673 -1.924 1.00 0.00 C ATOM 88 OG SER A 7 2.687 22.778 -1.746 1.00 0.00 O ATOM 0 H SER A 7 2.590 21.243 -4.007 1.00 0.00 H new ATOM 0 HA SER A 7 0.388 20.729 -2.109 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.912 23.565 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.795 22.625 -0.952 1.00 0.00 H new ATOM 0 HG SER A 7 2.891 23.580 -1.220 1.00 0.00 H new ATOM 94 N CYS A 8 0.146 21.094 -5.015 1.00 0.00 N ATOM 95 CA CYS A 8 -0.658 21.363 -6.201 1.00 0.00 C ATOM 96 C CYS A 8 -1.487 20.141 -6.585 1.00 0.00 C ATOM 97 O CYS A 8 -0.978 19.021 -6.623 1.00 0.00 O ATOM 98 CB CYS A 8 0.241 21.770 -7.370 1.00 0.00 C ATOM 99 SG CYS A 8 1.691 20.691 -7.604 1.00 0.00 S ATOM 0 H CYS A 8 0.794 20.313 -5.113 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.338 22.183 -5.970 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.350 21.770 -8.286 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.584 22.792 -7.212 1.00 0.00 H new ATOM 104 N GLN A 9 -2.766 20.366 -6.868 1.00 0.00 N ATOM 105 CA GLN A 9 -3.666 19.283 -7.248 1.00 0.00 C ATOM 106 C GLN A 9 -4.770 19.791 -8.169 1.00 0.00 C ATOM 107 O GLN A 9 -5.098 20.977 -8.167 1.00 0.00 O ATOM 108 CB GLN A 9 -4.279 18.640 -6.002 1.00 0.00 C ATOM 109 CG GLN A 9 -4.989 19.631 -5.094 1.00 0.00 C ATOM 110 CD GLN A 9 -6.042 18.974 -4.223 1.00 0.00 C ATOM 111 OE1 GLN A 9 -6.606 17.940 -4.585 1.00 0.00 O ATOM 112 NE2 GLN A 9 -6.313 19.571 -3.069 1.00 0.00 N ATOM 0 H GLN A 9 -3.202 21.288 -6.841 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.086 18.534 -7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.987 17.871 -6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.492 18.140 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.255 20.126 -4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.457 20.405 -5.703 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.821 20.426 -2.809 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.013 19.175 -2.442 1.00 0.00 H new ATOM 121 N LYS A 10 -5.341 18.884 -8.955 1.00 0.00 N ATOM 122 CA LYS A 10 -6.410 19.239 -9.882 1.00 0.00 C ATOM 123 C LYS A 10 -5.910 20.218 -10.939 1.00 0.00 C ATOM 124 O LYS A 10 -5.699 21.397 -10.657 1.00 0.00 O ATOM 125 CB LYS A 10 -7.589 19.850 -9.122 1.00 0.00 C ATOM 126 CG LYS A 10 -8.889 19.840 -9.907 1.00 0.00 C ATOM 127 CD LYS A 10 -9.510 21.225 -9.975 1.00 0.00 C ATOM 128 CE LYS A 10 -9.043 21.986 -11.207 1.00 0.00 C ATOM 129 NZ LYS A 10 -10.187 22.507 -12.005 1.00 0.00 N ATOM 0 H LYS A 10 -5.081 17.898 -8.969 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.741 18.329 -10.383 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.733 19.303 -8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.344 20.878 -8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.703 19.474 -10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.591 19.148 -9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.596 21.137 -9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.248 21.787 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.406 22.816 -10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.435 21.330 -11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.826 23.019 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.781 21.713 -12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.753 23.153 -11.419 1.00 0.00 H new ATOM 143 N GLY A 11 -5.725 19.722 -12.159 1.00 0.00 N ATOM 144 CA GLY A 11 -5.253 20.567 -13.240 1.00 0.00 C ATOM 145 C GLY A 11 -3.750 20.497 -13.417 1.00 0.00 C ATOM 146 O GLY A 11 -3.259 20.196 -14.506 1.00 0.00 O ATOM 0 H GLY A 11 -5.894 18.750 -12.418 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.739 20.269 -14.169 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.545 21.599 -13.044 1.00 0.00 H new ATOM 150 N TYR A 12 -3.016 20.776 -12.346 1.00 0.00 N ATOM 151 CA TYR A 12 -1.558 20.747 -12.389 1.00 0.00 C ATOM 152 C TYR A 12 -1.026 19.395 -11.924 1.00 0.00 C ATOM 153 O TYR A 12 -1.714 18.651 -11.225 1.00 0.00 O ATOM 154 CB TYR A 12 -0.979 21.863 -11.518 1.00 0.00 C ATOM 155 CG TYR A 12 -1.108 23.239 -12.131 1.00 0.00 C ATOM 156 CD1 TYR A 12 -2.354 23.766 -12.449 1.00 0.00 C ATOM 157 CD2 TYR A 12 0.016 24.013 -12.391 1.00 0.00 C ATOM 158 CE1 TYR A 12 -2.476 25.022 -13.010 1.00 0.00 C ATOM 159 CE2 TYR A 12 -0.097 25.271 -12.950 1.00 0.00 C ATOM 160 CZ TYR A 12 -1.345 25.771 -13.259 1.00 0.00 C ATOM 161 OH TYR A 12 -1.462 27.024 -13.816 1.00 0.00 O ATOM 0 H TYR A 12 -3.406 21.025 -11.437 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.247 20.903 -13.422 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.483 21.856 -10.552 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.074 21.656 -11.330 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.242 23.183 -12.254 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.995 23.624 -12.152 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.452 25.416 -13.252 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.787 25.860 -13.144 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.571 27.418 -13.925 1.00 0.00 H new ATOM 171 N PHE A 13 0.204 19.084 -12.318 1.00 0.00 N ATOM 172 CA PHE A 13 0.830 17.822 -11.943 1.00 0.00 C ATOM 173 C PHE A 13 2.312 18.020 -11.637 1.00 0.00 C ATOM 174 O PHE A 13 2.973 18.903 -12.184 1.00 0.00 O ATOM 175 CB PHE A 13 0.663 16.792 -13.063 1.00 0.00 C ATOM 176 CG PHE A 13 1.808 16.771 -14.034 1.00 0.00 C ATOM 177 CD1 PHE A 13 1.992 17.811 -14.931 1.00 0.00 C ATOM 178 CD2 PHE A 13 2.701 15.712 -14.050 1.00 0.00 C ATOM 179 CE1 PHE A 13 3.044 17.794 -15.827 1.00 0.00 C ATOM 180 CE2 PHE A 13 3.756 15.689 -14.943 1.00 0.00 C ATOM 181 CZ PHE A 13 3.928 16.732 -15.832 1.00 0.00 C ATOM 0 H PHE A 13 0.787 19.689 -12.897 1.00 0.00 H new ATOM 0 HA PHE A 13 0.336 17.454 -11.043 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.554 15.802 -12.621 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.259 17.003 -13.605 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.305 18.645 -14.930 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.571 14.894 -13.356 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.175 18.610 -16.522 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.445 14.857 -14.946 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.752 16.718 -16.530 1.00 0.00 H new ATOM 191 N PRO A 14 2.848 17.179 -10.740 1.00 0.00 N ATOM 192 CA PRO A 14 4.257 17.240 -10.339 1.00 0.00 C ATOM 193 C PRO A 14 5.197 16.802 -11.457 1.00 0.00 C ATOM 194 O PRO A 14 4.920 15.839 -12.173 1.00 0.00 O ATOM 195 CB PRO A 14 4.334 16.265 -9.162 1.00 0.00 C ATOM 196 CG PRO A 14 3.214 15.309 -9.388 1.00 0.00 C ATOM 197 CD PRO A 14 2.119 16.102 -10.047 1.00 0.00 C ATOM 0 HA PRO A 14 4.566 18.255 -10.089 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.295 15.750 -9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.225 16.784 -8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.530 14.480 -10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.872 14.879 -8.447 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.545 15.492 -10.744 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.415 16.499 -9.316 1.00 0.00 H new ATOM 205 N CYS A 15 6.309 17.515 -11.601 1.00 0.00 N ATOM 206 CA CYS A 15 7.291 17.200 -12.632 1.00 0.00 C ATOM 207 C CYS A 15 8.051 15.923 -12.287 1.00 0.00 C ATOM 208 O CYS A 15 9.179 15.972 -11.797 1.00 0.00 O ATOM 209 CB CYS A 15 8.273 18.361 -12.802 1.00 0.00 C ATOM 210 SG CYS A 15 8.015 19.337 -14.319 1.00 0.00 S ATOM 0 H CYS A 15 6.553 18.315 -11.017 1.00 0.00 H new ATOM 0 HA CYS A 15 6.759 17.043 -13.570 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.191 19.022 -11.939 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.289 17.966 -12.805 1.00 0.00 H new ATOM 215 N GLY A 16 7.425 14.779 -12.548 1.00 0.00 N ATOM 216 CA GLY A 16 8.057 13.505 -12.259 1.00 0.00 C ATOM 217 C GLY A 16 8.407 13.351 -10.792 1.00 0.00 C ATOM 218 O GLY A 16 7.560 12.978 -9.981 1.00 0.00 O ATOM 0 H GLY A 16 6.492 14.712 -12.954 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.390 12.696 -12.557 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.963 13.408 -12.858 1.00 0.00 H new ATOM 222 N ASN A 17 9.659 13.636 -10.451 1.00 0.00 N ATOM 223 CA ASN A 17 10.120 13.524 -9.071 1.00 0.00 C ATOM 224 C ASN A 17 10.652 14.862 -8.566 1.00 0.00 C ATOM 225 O ASN A 17 11.289 14.932 -7.514 1.00 0.00 O ATOM 226 CB ASN A 17 11.208 12.455 -8.960 1.00 0.00 C ATOM 227 CG ASN A 17 10.882 11.404 -7.917 1.00 0.00 C ATOM 228 OD1 ASN A 17 10.644 10.241 -8.244 1.00 0.00 O ATOM 229 ND2 ASN A 17 10.869 11.810 -6.653 1.00 0.00 N ATOM 0 H ASN A 17 10.373 13.946 -11.110 1.00 0.00 H new ATOM 0 HA ASN A 17 9.271 13.233 -8.452 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.340 11.973 -9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.156 12.930 -8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.656 11.148 -5.907 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.072 12.784 -6.428 1.00 0.00 H new ATOM 236 N LEU A 18 10.386 15.922 -9.321 1.00 0.00 N ATOM 237 CA LEU A 18 10.837 17.259 -8.950 1.00 0.00 C ATOM 238 C LEU A 18 9.794 17.966 -8.090 1.00 0.00 C ATOM 239 O LEU A 18 8.722 17.422 -7.821 1.00 0.00 O ATOM 240 CB LEU A 18 11.128 18.086 -10.203 1.00 0.00 C ATOM 241 CG LEU A 18 12.557 18.007 -10.743 1.00 0.00 C ATOM 242 CD1 LEU A 18 12.691 18.823 -12.018 1.00 0.00 C ATOM 243 CD2 LEU A 18 13.550 18.485 -9.694 1.00 0.00 C ATOM 0 H LEU A 18 9.860 15.882 -10.194 1.00 0.00 H new ATOM 0 HA LEU A 18 11.753 17.159 -8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.445 17.768 -10.991 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.900 19.130 -9.986 1.00 0.00 H new ATOM 0 HG LEU A 18 12.780 16.966 -10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.714 18.755 -12.388 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.006 18.435 -12.772 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.449 19.865 -11.810 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.562 18.422 -10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.329 19.519 -9.428 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.472 17.857 -8.806 1.00 0.00 H new ATOM 255 N THR A 19 10.113 19.184 -7.664 1.00 0.00 N ATOM 256 CA THR A 19 9.204 19.967 -6.836 1.00 0.00 C ATOM 257 C THR A 19 8.495 21.037 -7.658 1.00 0.00 C ATOM 258 O THR A 19 8.045 22.050 -7.123 1.00 0.00 O ATOM 259 CB THR A 19 9.948 20.642 -5.668 1.00 0.00 C ATOM 260 OG1 THR A 19 9.009 21.254 -4.777 1.00 0.00 O ATOM 261 CG2 THR A 19 10.924 21.689 -6.182 1.00 0.00 C ATOM 0 H THR A 19 10.995 19.650 -7.879 1.00 0.00 H new ATOM 0 HA THR A 19 8.466 19.273 -6.434 1.00 0.00 H new ATOM 0 HB THR A 19 10.509 19.876 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.332 21.737 -5.296 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.438 22.152 -5.340 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.655 21.215 -6.837 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.380 22.452 -6.739 1.00 0.00 H new ATOM 269 N LYS A 20 8.398 20.806 -8.963 1.00 0.00 N ATOM 270 CA LYS A 20 7.742 21.749 -9.861 1.00 0.00 C ATOM 271 C LYS A 20 6.400 21.202 -10.338 1.00 0.00 C ATOM 272 O LYS A 20 6.212 19.989 -10.435 1.00 0.00 O ATOM 273 CB LYS A 20 8.639 22.049 -11.063 1.00 0.00 C ATOM 274 CG LYS A 20 8.000 22.975 -12.083 1.00 0.00 C ATOM 275 CD LYS A 20 9.043 23.628 -12.975 1.00 0.00 C ATOM 276 CE LYS A 20 8.424 24.686 -13.875 1.00 0.00 C ATOM 277 NZ LYS A 20 8.077 25.922 -13.121 1.00 0.00 N ATOM 0 H LYS A 20 8.766 19.973 -9.423 1.00 0.00 H new ATOM 0 HA LYS A 20 7.563 22.672 -9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.568 22.497 -10.710 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.903 21.111 -11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.297 22.412 -12.696 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.427 23.746 -11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.818 24.082 -12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.528 22.867 -13.587 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.120 24.933 -14.677 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.527 24.283 -14.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.785 26.665 -13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.296 25.720 -12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.907 26.245 -12.584 1.00 0.00 H new ATOM 291 N CYS A 21 5.471 22.104 -10.637 1.00 0.00 N ATOM 292 CA CYS A 21 4.147 21.713 -11.105 1.00 0.00 C ATOM 293 C CYS A 21 3.792 22.439 -12.399 1.00 0.00 C ATOM 294 O CYS A 21 3.919 23.660 -12.494 1.00 0.00 O ATOM 295 CB CYS A 21 3.096 22.010 -10.035 1.00 0.00 C ATOM 296 SG CYS A 21 2.099 20.565 -9.549 1.00 0.00 S ATOM 0 H CYS A 21 5.611 23.112 -10.563 1.00 0.00 H new ATOM 0 HA CYS A 21 4.160 20.641 -11.302 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.595 22.407 -9.151 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.430 22.790 -10.402 1.00 0.00 H new ATOM 301 N LEU A 22 3.346 21.680 -13.394 1.00 0.00 N ATOM 302 CA LEU A 22 2.971 22.250 -14.683 1.00 0.00 C ATOM 303 C LEU A 22 1.459 22.427 -14.781 1.00 0.00 C ATOM 304 O LEU A 22 0.686 21.773 -14.081 1.00 0.00 O ATOM 305 CB LEU A 22 3.466 21.356 -15.822 1.00 0.00 C ATOM 306 CG LEU A 22 4.937 21.513 -16.206 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.558 20.157 -16.504 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.079 22.442 -17.404 1.00 0.00 C ATOM 0 H LEU A 22 3.235 20.668 -13.333 1.00 0.00 H new ATOM 0 HA LEU A 22 3.440 23.230 -14.769 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.293 20.317 -15.543 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.857 21.555 -16.704 1.00 0.00 H new ATOM 0 HG LEU A 22 5.468 21.956 -15.363 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.605 20.288 -16.776 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.489 19.523 -15.620 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.025 19.686 -17.330 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.133 22.542 -17.664 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.534 22.028 -18.252 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.672 23.422 -17.155 1.00 0.00 H new ATOM 320 N PRO A 23 1.025 23.331 -15.672 1.00 0.00 N ATOM 321 CA PRO A 23 -0.397 23.614 -15.885 1.00 0.00 C ATOM 322 C PRO A 23 -1.123 22.455 -16.560 1.00 0.00 C ATOM 323 O PRO A 23 -0.498 21.490 -16.999 1.00 0.00 O ATOM 324 CB PRO A 23 -0.382 24.841 -16.799 1.00 0.00 C ATOM 325 CG PRO A 23 0.924 24.767 -17.511 1.00 0.00 C ATOM 326 CD PRO A 23 1.890 24.147 -16.540 1.00 0.00 C ATOM 0 HA PRO A 23 -0.926 23.773 -14.946 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.217 24.823 -17.500 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.468 25.763 -16.225 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.841 24.166 -18.417 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.259 25.758 -17.816 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.637 23.538 -17.050 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.430 24.904 -15.972 1.00 0.00 H new ATOM 334 N ARG A 24 -2.446 22.558 -16.641 1.00 0.00 N ATOM 335 CA ARG A 24 -3.257 21.518 -17.262 1.00 0.00 C ATOM 336 C ARG A 24 -3.123 21.560 -18.782 1.00 0.00 C ATOM 337 O ARG A 24 -3.350 20.560 -19.462 1.00 0.00 O ATOM 338 CB ARG A 24 -4.725 21.680 -16.864 1.00 0.00 C ATOM 339 CG ARG A 24 -5.363 22.953 -17.394 1.00 0.00 C ATOM 340 CD ARG A 24 -6.006 22.730 -18.754 1.00 0.00 C ATOM 341 NE ARG A 24 -7.447 22.967 -18.724 1.00 0.00 N ATOM 342 CZ ARG A 24 -8.220 22.935 -19.803 1.00 0.00 C ATOM 343 NH1 ARG A 24 -7.693 22.676 -20.992 1.00 0.00 N ATOM 344 NH2 ARG A 24 -9.523 23.161 -19.695 1.00 0.00 N ATOM 0 H ARG A 24 -2.979 23.351 -16.284 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.897 20.552 -16.909 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.289 20.822 -17.230 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.801 21.671 -15.777 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.115 23.305 -16.688 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.608 23.735 -17.471 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.545 23.393 -19.486 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.813 21.709 -19.083 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.884 23.168 -17.824 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.692 22.501 -21.079 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.289 22.652 -21.820 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.932 23.360 -18.782 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.115 23.136 -20.525 1.00 0.00 H new ATOM 358 N ALA A 25 -2.755 22.724 -19.306 1.00 0.00 N ATOM 359 CA ALA A 25 -2.590 22.895 -20.744 1.00 0.00 C ATOM 360 C ALA A 25 -1.360 22.147 -21.249 1.00 0.00 C ATOM 361 O ALA A 25 -1.186 21.959 -22.453 1.00 0.00 O ATOM 362 CB ALA A 25 -2.489 24.373 -21.091 1.00 0.00 C ATOM 0 H ALA A 25 -2.566 23.562 -18.757 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.467 22.475 -21.237 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.366 24.486 -22.168 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.398 24.884 -20.774 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.631 24.809 -20.580 1.00 0.00 H new ATOM 368 N PHE A 26 -0.509 21.722 -20.321 1.00 0.00 N ATOM 369 CA PHE A 26 0.705 20.996 -20.672 1.00 0.00 C ATOM 370 C PHE A 26 0.384 19.798 -21.562 1.00 0.00 C ATOM 371 O PHE A 26 1.231 19.333 -22.325 1.00 0.00 O ATOM 372 CB PHE A 26 1.428 20.527 -19.408 1.00 0.00 C ATOM 373 CG PHE A 26 0.954 19.193 -18.905 1.00 0.00 C ATOM 374 CD1 PHE A 26 -0.355 19.023 -18.483 1.00 0.00 C ATOM 375 CD2 PHE A 26 1.817 18.111 -18.855 1.00 0.00 C ATOM 376 CE1 PHE A 26 -0.795 17.797 -18.021 1.00 0.00 C ATOM 377 CE2 PHE A 26 1.382 16.882 -18.393 1.00 0.00 C ATOM 378 CZ PHE A 26 0.075 16.725 -17.975 1.00 0.00 C ATOM 0 H PHE A 26 -0.638 21.868 -19.320 1.00 0.00 H new ATOM 0 HA PHE A 26 1.356 21.673 -21.225 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.497 20.471 -19.611 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.291 21.271 -18.624 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.039 19.858 -18.516 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.840 18.228 -19.180 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.818 17.677 -17.696 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.064 16.045 -18.359 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.266 15.766 -17.613 1.00 0.00 H new ATOM 388 N HIS A 27 -0.845 19.303 -21.456 1.00 0.00 N ATOM 389 CA HIS A 27 -1.278 18.159 -22.251 1.00 0.00 C ATOM 390 C HIS A 27 -1.099 18.434 -23.741 1.00 0.00 C ATOM 391 O HIS A 27 -1.880 19.169 -24.346 1.00 0.00 O ATOM 392 CB HIS A 27 -2.742 17.830 -21.954 1.00 0.00 C ATOM 393 CG HIS A 27 -3.345 16.856 -22.918 1.00 0.00 C ATOM 394 ND1 HIS A 27 -3.465 15.509 -22.650 1.00 0.00 N ATOM 395 CD2 HIS A 27 -3.864 17.040 -24.154 1.00 0.00 C ATOM 396 CE1 HIS A 27 -4.031 14.906 -23.681 1.00 0.00 C ATOM 397 NE2 HIS A 27 -4.284 15.813 -24.607 1.00 0.00 N ATOM 0 H HIS A 27 -1.558 19.675 -20.828 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.659 17.304 -21.980 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.817 17.424 -20.945 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.323 18.752 -21.970 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.935 17.977 -24.686 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.249 13.851 -23.754 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.720 15.632 -25.511 1.00 0.00 H new ATOM 405 N CYS A 28 -0.066 17.839 -24.327 1.00 0.00 N ATOM 406 CA CYS A 28 0.218 18.019 -25.746 1.00 0.00 C ATOM 407 C CYS A 28 0.435 19.494 -26.074 1.00 0.00 C ATOM 408 O CYS A 28 -0.521 20.242 -26.276 1.00 0.00 O ATOM 409 CB CYS A 28 -0.929 17.461 -26.591 1.00 0.00 C ATOM 410 SG CYS A 28 -0.871 15.654 -26.822 1.00 0.00 S ATOM 0 H CYS A 28 0.589 17.227 -23.841 1.00 0.00 H new ATOM 0 HA CYS A 28 1.132 17.474 -25.981 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.876 17.726 -26.120 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.913 17.942 -27.569 1.00 0.00 H new ATOM 415 N ASP A 29 1.697 19.903 -26.124 1.00 0.00 N ATOM 416 CA ASP A 29 2.041 21.287 -26.429 1.00 0.00 C ATOM 417 C ASP A 29 2.899 21.370 -27.687 1.00 0.00 C ATOM 418 O ASP A 29 2.673 22.216 -28.551 1.00 0.00 O ATOM 419 CB ASP A 29 2.780 21.923 -25.250 1.00 0.00 C ATOM 420 CG ASP A 29 2.155 21.566 -23.915 1.00 0.00 C ATOM 421 OD1 ASP A 29 0.919 21.403 -23.864 1.00 0.00 O ATOM 422 OD2 ASP A 29 2.904 21.452 -22.922 1.00 0.00 O ATOM 0 H ASP A 29 2.500 19.296 -25.957 1.00 0.00 H new ATOM 0 HA ASP A 29 1.115 21.834 -26.606 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.821 21.598 -25.259 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.783 23.007 -25.368 1.00 0.00 H new ATOM 427 N GLY A 30 3.886 20.484 -27.784 1.00 0.00 N ATOM 428 CA GLY A 30 4.764 20.475 -28.939 1.00 0.00 C ATOM 429 C GLY A 30 6.230 20.478 -28.554 1.00 0.00 C ATOM 430 O GLY A 30 7.092 20.116 -29.355 1.00 0.00 O ATOM 0 H GLY A 30 4.093 19.772 -27.083 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.553 19.594 -29.545 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.553 21.346 -29.559 1.00 0.00 H new ATOM 434 N LYS A 31 6.516 20.888 -27.323 1.00 0.00 N ATOM 435 CA LYS A 31 7.887 20.938 -26.831 1.00 0.00 C ATOM 436 C LYS A 31 7.967 20.446 -25.389 1.00 0.00 C ATOM 437 O LYS A 31 6.999 19.904 -24.854 1.00 0.00 O ATOM 438 CB LYS A 31 8.434 22.364 -26.925 1.00 0.00 C ATOM 439 CG LYS A 31 7.771 23.334 -25.962 1.00 0.00 C ATOM 440 CD LYS A 31 8.447 24.694 -25.987 1.00 0.00 C ATOM 441 CE LYS A 31 9.646 24.738 -25.052 1.00 0.00 C ATOM 442 NZ LYS A 31 9.938 26.123 -24.589 1.00 0.00 N ATOM 0 H LYS A 31 5.815 21.191 -26.647 1.00 0.00 H new ATOM 0 HA LYS A 31 8.493 20.281 -27.455 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.506 22.347 -26.729 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.302 22.729 -27.944 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.719 23.445 -26.223 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.808 22.927 -24.951 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.768 24.923 -27.003 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.731 25.463 -25.698 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.457 24.099 -24.189 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.520 24.334 -25.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.762 26.110 -23.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.143 26.728 -25.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.114 26.500 -24.079 1.00 0.00 H new ATOM 456 N ASP A 32 9.124 20.639 -24.766 1.00 0.00 N ATOM 457 CA ASP A 32 9.328 20.218 -23.385 1.00 0.00 C ATOM 458 C ASP A 32 9.087 21.376 -22.422 1.00 0.00 C ATOM 459 O ASP A 32 9.739 22.416 -22.510 1.00 0.00 O ATOM 460 CB ASP A 32 10.744 19.671 -23.200 1.00 0.00 C ATOM 461 CG ASP A 32 10.835 18.186 -23.495 1.00 0.00 C ATOM 462 OD1 ASP A 32 10.799 17.814 -24.686 1.00 0.00 O ATOM 463 OD2 ASP A 32 10.942 17.397 -22.533 1.00 0.00 O ATOM 0 H ASP A 32 9.935 21.084 -25.195 1.00 0.00 H new ATOM 0 HA ASP A 32 8.610 19.429 -23.162 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.427 20.211 -23.855 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.071 19.856 -22.177 1.00 0.00 H new ATOM 468 N ASP A 33 8.145 21.188 -21.503 1.00 0.00 N ATOM 469 CA ASP A 33 7.818 22.217 -20.523 1.00 0.00 C ATOM 470 C ASP A 33 8.465 21.910 -19.176 1.00 0.00 C ATOM 471 O ASP A 33 8.721 22.813 -18.379 1.00 0.00 O ATOM 472 CB ASP A 33 6.301 22.333 -20.361 1.00 0.00 C ATOM 473 CG ASP A 33 5.595 22.579 -21.679 1.00 0.00 C ATOM 474 OD1 ASP A 33 5.622 21.678 -22.543 1.00 0.00 O ATOM 475 OD2 ASP A 33 5.015 23.673 -21.847 1.00 0.00 O ATOM 0 H ASP A 33 7.595 20.333 -21.417 1.00 0.00 H new ATOM 0 HA ASP A 33 8.210 23.167 -20.885 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.916 21.418 -19.911 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.073 23.147 -19.673 1.00 0.00 H new ATOM 480 N CYS A 34 8.724 20.631 -18.928 1.00 0.00 N ATOM 481 CA CYS A 34 9.339 20.204 -17.677 1.00 0.00 C ATOM 482 C CYS A 34 10.860 20.187 -17.797 1.00 0.00 C ATOM 483 O CYS A 34 11.568 20.685 -16.922 1.00 0.00 O ATOM 484 CB CYS A 34 8.833 18.814 -17.284 1.00 0.00 C ATOM 485 SG CYS A 34 9.312 18.296 -15.605 1.00 0.00 S ATOM 0 H CYS A 34 8.518 19.872 -19.577 1.00 0.00 H new ATOM 0 HA CYS A 34 9.060 20.918 -16.902 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.746 18.800 -17.361 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.213 18.085 -18.000 1.00 0.00 H new ATOM 490 N GLY A 35 11.357 19.611 -18.888 1.00 0.00 N ATOM 491 CA GLY A 35 12.791 19.541 -19.102 1.00 0.00 C ATOM 492 C GLY A 35 13.389 18.243 -18.597 1.00 0.00 C ATOM 493 O GLY A 35 14.496 17.871 -18.984 1.00 0.00 O ATOM 0 H GLY A 35 10.792 19.192 -19.627 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.002 19.645 -20.166 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.272 20.379 -18.598 1.00 0.00 H new ATOM 497 N ASN A 36 12.657 17.555 -17.727 1.00 0.00 N ATOM 498 CA ASN A 36 13.124 16.292 -17.166 1.00 0.00 C ATOM 499 C ASN A 36 12.717 15.119 -18.053 1.00 0.00 C ATOM 500 O ASN A 36 13.440 14.129 -18.161 1.00 0.00 O ATOM 501 CB ASN A 36 12.563 16.098 -15.756 1.00 0.00 C ATOM 502 CG ASN A 36 13.185 14.913 -15.044 1.00 0.00 C ATOM 503 OD1 ASN A 36 14.367 14.617 -15.224 1.00 0.00 O ATOM 504 ND2 ASN A 36 12.391 14.229 -14.229 1.00 0.00 N ATOM 0 H ASN A 36 11.739 17.850 -17.395 1.00 0.00 H new ATOM 0 HA ASN A 36 14.212 16.326 -17.116 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.737 17.001 -15.171 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.484 15.958 -15.814 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.754 13.422 -13.721 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.418 14.510 -14.110 1.00 0.00 H new ATOM 511 N GLY A 37 11.555 15.239 -18.688 1.00 0.00 N ATOM 512 CA GLY A 37 11.072 14.182 -19.557 1.00 0.00 C ATOM 513 C GLY A 37 9.887 13.443 -18.969 1.00 0.00 C ATOM 514 O GLY A 37 9.694 12.256 -19.231 1.00 0.00 O ATOM 0 H GLY A 37 10.940 16.049 -18.616 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.789 14.608 -20.519 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.879 13.475 -19.747 1.00 0.00 H new ATOM 518 N ALA A 38 9.092 14.145 -18.168 1.00 0.00 N ATOM 519 CA ALA A 38 7.919 13.548 -17.541 1.00 0.00 C ATOM 520 C ALA A 38 6.634 14.167 -18.079 1.00 0.00 C ATOM 521 O ALA A 38 5.606 13.496 -18.183 1.00 0.00 O ATOM 522 CB ALA A 38 7.991 13.706 -16.030 1.00 0.00 C ATOM 0 H ALA A 38 9.239 15.128 -17.938 1.00 0.00 H new ATOM 0 HA ALA A 38 7.909 12.486 -17.784 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.109 13.256 -15.575 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.886 13.210 -15.655 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.030 14.765 -15.776 1.00 0.00 H new ATOM 528 N ASP A 39 6.697 15.449 -18.420 1.00 0.00 N ATOM 529 CA ASP A 39 5.538 16.159 -18.948 1.00 0.00 C ATOM 530 C ASP A 39 5.269 15.759 -20.395 1.00 0.00 C ATOM 531 O ASP A 39 4.146 15.880 -20.884 1.00 0.00 O ATOM 532 CB ASP A 39 5.752 17.670 -18.854 1.00 0.00 C ATOM 533 CG ASP A 39 6.836 18.161 -19.793 1.00 0.00 C ATOM 534 OD1 ASP A 39 7.930 17.558 -19.803 1.00 0.00 O ATOM 535 OD2 ASP A 39 6.591 19.147 -20.519 1.00 0.00 O ATOM 0 H ASP A 39 7.539 16.019 -18.340 1.00 0.00 H new ATOM 0 HA ASP A 39 4.671 15.886 -18.347 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.817 18.181 -19.084 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.016 17.934 -17.830 1.00 0.00 H new ATOM 540 N GLU A 40 6.308 15.283 -21.075 1.00 0.00 N ATOM 541 CA GLU A 40 6.183 14.868 -22.467 1.00 0.00 C ATOM 542 C GLU A 40 5.251 13.666 -22.595 1.00 0.00 C ATOM 543 O GLU A 40 4.661 13.435 -23.650 1.00 0.00 O ATOM 544 CB GLU A 40 7.557 14.526 -23.046 1.00 0.00 C ATOM 545 CG GLU A 40 8.500 15.715 -23.119 1.00 0.00 C ATOM 546 CD GLU A 40 7.928 16.864 -23.926 1.00 0.00 C ATOM 547 OE1 GLU A 40 7.091 17.614 -23.381 1.00 0.00 O ATOM 548 OE2 GLU A 40 8.318 17.013 -25.103 1.00 0.00 O ATOM 0 H GLU A 40 7.244 15.175 -20.685 1.00 0.00 H new ATOM 0 HA GLU A 40 5.756 15.698 -23.030 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.015 13.747 -22.437 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.428 14.114 -24.047 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.722 16.060 -22.109 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.444 15.399 -23.563 1.00 0.00 H new ATOM 555 N GLU A 41 5.126 12.905 -21.513 1.00 0.00 N ATOM 556 CA GLU A 41 4.267 11.726 -21.505 1.00 0.00 C ATOM 557 C GLU A 41 2.800 12.122 -21.369 1.00 0.00 C ATOM 558 O GLU A 41 2.451 13.297 -21.475 1.00 0.00 O ATOM 559 CB GLU A 41 4.662 10.788 -20.362 1.00 0.00 C ATOM 560 CG GLU A 41 6.155 10.517 -20.285 1.00 0.00 C ATOM 561 CD GLU A 41 6.740 10.089 -21.616 1.00 0.00 C ATOM 562 OE1 GLU A 41 6.640 8.890 -21.951 1.00 0.00 O ATOM 563 OE2 GLU A 41 7.298 10.954 -22.324 1.00 0.00 O ATOM 0 H GLU A 41 5.608 13.083 -20.632 1.00 0.00 H new ATOM 0 HA GLU A 41 4.398 11.206 -22.454 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.331 11.220 -19.418 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.135 9.841 -20.482 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.666 11.416 -19.940 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.342 9.740 -19.544 1.00 0.00 H new ATOM 570 N ASN A 42 1.945 11.132 -21.134 1.00 0.00 N ATOM 571 CA ASN A 42 0.515 11.376 -20.984 1.00 0.00 C ATOM 572 C ASN A 42 -0.083 11.919 -22.279 1.00 0.00 C ATOM 573 O ASN A 42 -1.173 12.492 -22.280 1.00 0.00 O ATOM 574 CB ASN A 42 0.261 12.361 -19.840 1.00 0.00 C ATOM 575 CG ASN A 42 1.138 12.083 -18.634 1.00 0.00 C ATOM 576 OD1 ASN A 42 1.295 10.936 -18.218 1.00 0.00 O ATOM 577 ND2 ASN A 42 1.713 13.137 -18.066 1.00 0.00 N ATOM 0 H ASN A 42 2.218 10.153 -21.043 1.00 0.00 H new ATOM 0 HA ASN A 42 0.033 10.427 -20.751 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.442 13.377 -20.191 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.787 12.308 -19.544 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.313 13.013 -17.251 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.554 14.071 -18.445 1.00 0.00 H new ATOM 584 N CYS A 43 0.638 11.735 -23.379 1.00 0.00 N ATOM 585 CA CYS A 43 0.181 12.205 -24.681 1.00 0.00 C ATOM 586 C CYS A 43 0.793 11.373 -25.806 1.00 0.00 C ATOM 587 O CYS A 43 0.901 11.831 -26.942 1.00 0.00 O ATOM 588 CB CYS A 43 0.541 13.680 -24.870 1.00 0.00 C ATOM 589 SG CYS A 43 -0.901 14.782 -25.029 1.00 0.00 S ATOM 0 H CYS A 43 1.542 11.263 -23.395 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.903 12.094 -24.719 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.144 14.007 -24.023 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.162 13.780 -25.760 1.00 0.00 H new ATOM 594 N GLY A 44 1.191 10.148 -25.478 1.00 0.00 N ATOM 595 CA GLY A 44 1.787 9.272 -26.470 1.00 0.00 C ATOM 596 C GLY A 44 0.873 8.125 -26.854 1.00 0.00 C ATOM 597 O GLY A 44 0.802 7.785 -28.034 1.00 0.00 O ATOM 0 H GLY A 44 1.112 9.746 -24.544 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.033 9.851 -27.360 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.723 8.872 -26.081 1.00 0.00 H new TER 601 GLY A 44 HETATM 602 CA CA A 101 4.454 18.891 -22.627 1.00 0.00 CA