USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 587 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 2 MET CE :methyl -138:sc= 0 (180deg=-0.838) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.707 K(o=-0.71,f=-11!) USER MOD Set 2.1: A 37 THR OG1 : rot -58:sc= 0.997 USER MOD Set 2.2: A 40 THR OG1 : rot 78:sc= 2.29 USER MOD Set 2.3: A 41 ASN : amide:sc= -2.51! C(o=0.78!,f=-2.5!) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.749 K(o=-8.2,f=-18!) USER MOD Set 3.2: A 31 HIS : no HD1:sc= -3.69! K(o=-8.2!,f=-10) USER MOD Set 3.3: A 33 HIS : no HE2:sc= -3.79 K(o=-8.2,f=-14!) USER MOD Set 4.1: A 28 GLN : amide:sc= -1.37! C(o=-1.4!,f=-9.6!) USER MOD Set 4.2: A 34 SER OG : rot -6:sc= 0.00263 USER MOD Set 5.1: A 16 THR OG1 : rot 179:sc= 0.896 USER MOD Set 5.2: A 18 THR OG1 : rot -41:sc= 1.8 USER MOD Set 5.3: A 20 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 1 CYS N :NH3+ -149:sc= 1.03 (180deg=0.168) USER MOD Single : A 5 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.5!) USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= -1.63 (180deg=-3.48!) USER MOD Single : A 9 TYR OH : rot -130:sc= -0.72 USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= -1.11 (180deg=-2.85!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.17) USER MOD Single : A 49 ASN : amide:sc= 1.18 K(o=1.2,f=-3.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.186 K(o=0.19,f=-12!) USER MOD Single : A 64 TYR OH : rot 90:sc= -0.669 USER MOD Single : A 65 THR OG1 : rot -85:sc= 0.445 USER MOD Single : A 66 THR OG1 : rot -64:sc= 0.0341 USER MOD Single : A 67 ASN : amide:sc= -2.26! C(o=-2.3!,f=-8.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 156:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 4.695 30.151 2.795 1.00 0.00 N ATOM 51 CA CYS A 1 5.781 30.425 3.710 1.00 0.00 C ATOM 52 C CYS A 1 5.288 30.250 5.143 1.00 0.00 C ATOM 53 O CYS A 1 4.086 30.338 5.405 1.00 0.00 O ATOM 54 CB CYS A 1 6.308 31.846 3.477 1.00 0.00 C ATOM 55 SG CYS A 1 5.116 32.959 2.645 1.00 0.00 S ATOM 0 H1 CYS A 1 5.077 29.756 1.912 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.042 29.466 3.227 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.185 31.033 2.588 1.00 0.00 H new ATOM 0 HA CYS A 1 6.600 29.727 3.536 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.585 32.281 4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.217 31.791 2.878 1.00 0.00 H new ATOM 60 N MET A 2 6.203 29.997 6.065 1.00 0.00 N ATOM 61 CA MET A 2 5.815 29.744 7.462 1.00 0.00 C ATOM 62 C MET A 2 5.905 30.980 8.336 1.00 0.00 C ATOM 63 O MET A 2 6.657 31.899 8.066 1.00 0.00 O ATOM 64 CB MET A 2 6.674 28.646 8.095 1.00 0.00 C ATOM 65 CG MET A 2 8.169 28.894 7.959 1.00 0.00 C ATOM 66 SD MET A 2 9.157 27.792 8.985 1.00 0.00 S ATOM 67 CE MET A 2 10.814 28.345 8.587 1.00 0.00 C ATOM 0 H MET A 2 7.206 29.959 5.886 1.00 0.00 H new ATOM 0 HA MET A 2 4.773 29.426 7.414 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.422 28.562 9.152 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.428 27.690 7.632 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.460 28.769 6.916 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.387 29.927 8.229 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.467 27.481 8.467 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.794 28.916 7.659 1.00 0.00 H new ATOM 0 HE3 MET A 2 11.190 28.976 9.393 1.00 0.00 H new ATOM 77 N PHE A 3 5.116 30.970 9.398 1.00 0.00 N ATOM 78 CA PHE A 3 5.101 32.042 10.372 1.00 0.00 C ATOM 79 C PHE A 3 5.630 31.493 11.683 1.00 0.00 C ATOM 80 O PHE A 3 4.894 30.848 12.429 1.00 0.00 O ATOM 81 CB PHE A 3 3.674 32.578 10.572 1.00 0.00 C ATOM 82 CG PHE A 3 3.052 33.208 9.347 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.765 32.452 8.220 1.00 0.00 C ATOM 84 CD2 PHE A 3 2.746 34.561 9.331 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.190 33.032 7.104 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.171 35.145 8.219 1.00 0.00 C ATOM 87 CZ PHE A 3 1.894 34.381 7.104 1.00 0.00 C ATOM 0 H PHE A 3 4.466 30.213 9.607 1.00 0.00 H new ATOM 0 HA PHE A 3 5.723 32.865 10.020 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.037 31.758 10.904 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.688 33.316 11.374 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.994 31.396 8.214 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.960 35.166 10.200 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.973 32.431 6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.938 36.200 8.222 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.447 34.837 6.233 1.00 0.00 H new ATOM 97 N GLY A 4 6.913 31.699 11.937 1.00 0.00 N ATOM 98 CA GLY A 4 7.529 31.131 13.097 1.00 0.00 C ATOM 99 C GLY A 4 7.878 29.685 12.862 1.00 0.00 C ATOM 100 O GLY A 4 8.657 29.366 11.957 1.00 0.00 O ATOM 0 H GLY A 4 7.535 32.255 11.350 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.430 31.691 13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.855 31.213 13.950 1.00 0.00 H new ATOM 104 N ASN A 5 7.221 28.821 13.619 1.00 0.00 N ATOM 105 CA ASN A 5 7.467 27.386 13.589 1.00 0.00 C ATOM 106 C ASN A 5 6.764 26.773 12.400 1.00 0.00 C ATOM 107 O ASN A 5 7.113 25.696 11.941 1.00 0.00 O ATOM 108 CB ASN A 5 6.924 26.734 14.862 1.00 0.00 C ATOM 109 CG ASN A 5 7.607 27.219 16.122 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.766 27.631 16.106 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.888 27.158 17.229 1.00 0.00 N ATOM 0 H ASN A 5 6.494 29.098 14.279 1.00 0.00 H new ATOM 0 HA ASN A 5 8.542 27.219 13.517 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.855 26.934 14.937 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.042 25.653 14.787 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.291 27.460 18.116 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.930 26.809 17.196 1.00 0.00 H new ATOM 118 N GLY A 6 5.751 27.463 11.914 1.00 0.00 N ATOM 119 CA GLY A 6 4.943 26.916 10.855 1.00 0.00 C ATOM 120 C GLY A 6 3.566 26.559 11.357 1.00 0.00 C ATOM 121 O GLY A 6 2.792 25.887 10.673 1.00 0.00 O ATOM 0 H GLY A 6 5.474 28.391 12.234 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.862 27.639 10.043 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.426 26.029 10.445 1.00 0.00 H new ATOM 125 N LYS A 7 3.266 27.015 12.562 1.00 0.00 N ATOM 126 CA LYS A 7 1.957 26.816 13.160 1.00 0.00 C ATOM 127 C LYS A 7 0.894 27.565 12.359 1.00 0.00 C ATOM 128 O LYS A 7 -0.255 27.135 12.272 1.00 0.00 O ATOM 129 CB LYS A 7 1.983 27.301 14.602 1.00 0.00 C ATOM 130 CG LYS A 7 2.878 26.465 15.497 1.00 0.00 C ATOM 131 CD LYS A 7 2.868 26.947 16.942 1.00 0.00 C ATOM 132 CE LYS A 7 1.634 26.476 17.704 1.00 0.00 C ATOM 133 NZ LYS A 7 0.382 27.122 17.229 1.00 0.00 N ATOM 0 H LYS A 7 3.920 27.531 13.151 1.00 0.00 H new ATOM 0 HA LYS A 7 1.708 25.755 13.147 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.323 28.336 14.624 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.969 27.290 15.001 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.553 25.425 15.462 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.898 26.493 15.114 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.764 26.587 17.448 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.908 28.036 16.959 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.541 25.395 17.602 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.766 26.686 18.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.311 27.149 18.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.589 28.092 16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.009 26.578 16.434 1.00 0.00 H new ATOM 147 N GLY A 8 1.306 28.690 11.777 1.00 0.00 N ATOM 148 CA GLY A 8 0.466 29.436 10.874 1.00 0.00 C ATOM 149 C GLY A 8 1.004 29.371 9.460 1.00 0.00 C ATOM 150 O GLY A 8 0.696 30.214 8.626 1.00 0.00 O ATOM 0 H GLY A 8 2.229 29.099 11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.548 29.037 10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.409 30.475 11.198 1.00 0.00 H new ATOM 154 N TYR A 9 1.849 28.375 9.207 1.00 0.00 N ATOM 155 CA TYR A 9 2.318 28.078 7.860 1.00 0.00 C ATOM 156 C TYR A 9 1.158 27.551 7.031 1.00 0.00 C ATOM 157 O TYR A 9 0.661 26.461 7.288 1.00 0.00 O ATOM 158 CB TYR A 9 3.440 27.035 7.922 1.00 0.00 C ATOM 159 CG TYR A 9 3.812 26.422 6.592 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.825 27.171 5.427 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.129 25.077 6.509 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.132 26.592 4.215 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.449 24.495 5.303 1.00 0.00 C ATOM 164 CZ TYR A 9 4.443 25.253 4.157 1.00 0.00 C ATOM 165 OH TYR A 9 4.727 24.669 2.944 1.00 0.00 O ATOM 0 H TYR A 9 2.225 27.756 9.925 1.00 0.00 H new ATOM 0 HA TYR A 9 2.707 28.985 7.398 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.327 27.501 8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.138 26.238 8.601 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.591 28.225 5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.125 24.474 7.405 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.129 27.187 3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.704 23.446 5.258 1.00 0.00 H new ATOM 0 HH TYR A 9 4.195 23.853 2.841 1.00 0.00 H new ATOM 175 N ARG A 10 0.706 28.332 6.066 1.00 0.00 N ATOM 176 CA ARG A 10 -0.431 27.938 5.242 1.00 0.00 C ATOM 177 C ARG A 10 0.006 27.826 3.783 1.00 0.00 C ATOM 178 O ARG A 10 -0.671 28.307 2.872 1.00 0.00 O ATOM 179 CB ARG A 10 -1.569 28.962 5.372 1.00 0.00 C ATOM 180 CG ARG A 10 -1.555 29.754 6.679 1.00 0.00 C ATOM 181 CD ARG A 10 -2.239 29.043 7.847 1.00 0.00 C ATOM 182 NE ARG A 10 -1.597 27.789 8.217 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.736 27.223 9.415 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.620 27.702 10.286 1.00 0.00 N ATOM 185 NH2 ARG A 10 -0.995 26.173 9.736 1.00 0.00 N ATOM 0 H ARG A 10 1.105 29.241 5.831 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.796 26.970 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.511 29.660 4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.523 28.441 5.286 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.521 29.966 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.045 30.714 6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.248 29.707 8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.279 28.847 7.585 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.012 27.321 7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.196 28.507 10.038 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.722 27.265 11.202 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.321 25.801 9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.098 25.737 10.652 1.00 0.00 H new ATOM 199 N GLY A 11 1.150 27.187 3.578 1.00 0.00 N ATOM 200 CA GLY A 11 1.736 27.101 2.255 1.00 0.00 C ATOM 201 C GLY A 11 1.444 25.784 1.567 1.00 0.00 C ATOM 202 O GLY A 11 0.518 25.066 1.953 1.00 0.00 O ATOM 0 H GLY A 11 1.686 26.723 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.357 27.918 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.815 27.234 2.331 1.00 0.00 H new ATOM 206 N LYS A 12 2.250 25.447 0.569 1.00 0.00 N ATOM 207 CA LYS A 12 1.955 24.324 -0.297 1.00 0.00 C ATOM 208 C LYS A 12 3.215 23.543 -0.611 1.00 0.00 C ATOM 209 O LYS A 12 3.237 22.741 -1.547 1.00 0.00 O ATOM 210 CB LYS A 12 1.337 24.849 -1.588 1.00 0.00 C ATOM 211 CG LYS A 12 2.287 25.734 -2.385 1.00 0.00 C ATOM 212 CD LYS A 12 1.544 26.668 -3.320 1.00 0.00 C ATOM 213 CE LYS A 12 1.041 25.971 -4.585 1.00 0.00 C ATOM 214 NZ LYS A 12 0.078 24.873 -4.300 1.00 0.00 N ATOM 0 H LYS A 12 3.114 25.939 0.342 1.00 0.00 H new ATOM 0 HA LYS A 12 1.258 23.655 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.030 24.006 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.436 25.414 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.899 26.319 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.967 25.108 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.697 27.105 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.202 27.490 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.564 26.706 -5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.892 25.567 -5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.599 24.792 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.595 23.977 -4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.436 25.082 -3.420 1.00 0.00 H new ATOM 228 N ARG A 13 4.268 23.785 0.156 1.00 0.00 N ATOM 229 CA ARG A 13 5.488 23.030 -0.008 1.00 0.00 C ATOM 230 C ARG A 13 5.203 21.581 0.344 1.00 0.00 C ATOM 231 O ARG A 13 4.524 21.307 1.326 1.00 0.00 O ATOM 232 CB ARG A 13 6.593 23.588 0.881 1.00 0.00 C ATOM 233 CG ARG A 13 6.906 25.057 0.640 1.00 0.00 C ATOM 234 CD ARG A 13 7.628 25.272 -0.680 1.00 0.00 C ATOM 235 NE ARG A 13 7.949 26.679 -0.900 1.00 0.00 N ATOM 236 CZ ARG A 13 9.058 27.112 -1.495 1.00 0.00 C ATOM 237 NH1 ARG A 13 9.969 26.246 -1.926 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.242 28.413 -1.674 1.00 0.00 N ATOM 0 H ARG A 13 4.297 24.493 0.890 1.00 0.00 H new ATOM 0 HA ARG A 13 5.830 23.103 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.306 23.456 1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.500 23.004 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.980 25.631 0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.521 25.436 1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.546 24.684 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.006 24.909 -1.498 1.00 0.00 H new ATOM 0 HE ARG A 13 7.279 27.377 -0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.820 25.245 -1.801 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.817 26.583 -2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.535 29.076 -1.356 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.090 28.750 -2.129 1.00 0.00 H new ATOM 252 N VAL A 14 5.697 20.673 -0.467 1.00 0.00 N ATOM 253 CA VAL A 14 5.343 19.262 -0.350 1.00 0.00 C ATOM 254 C VAL A 14 6.576 18.375 -0.448 1.00 0.00 C ATOM 255 O VAL A 14 6.540 17.281 -1.014 1.00 0.00 O ATOM 256 CB VAL A 14 4.321 18.861 -1.433 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.926 19.316 -1.044 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.701 19.465 -2.773 1.00 0.00 C ATOM 0 H VAL A 14 6.350 20.881 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 14 4.891 19.118 0.631 1.00 0.00 H new ATOM 0 HB VAL A 14 4.328 17.774 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.218 19.024 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.642 18.851 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.915 20.400 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.969 19.171 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.720 20.552 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.687 19.106 -3.067 1.00 0.00 H new ATOM 268 N THR A 15 7.660 18.858 0.120 1.00 0.00 N ATOM 269 CA THR A 15 8.922 18.169 0.086 1.00 0.00 C ATOM 270 C THR A 15 9.698 18.560 1.336 1.00 0.00 C ATOM 271 O THR A 15 9.648 19.716 1.775 1.00 0.00 O ATOM 272 CB THR A 15 9.707 18.513 -1.207 1.00 0.00 C ATOM 273 OG1 THR A 15 10.183 17.311 -1.809 1.00 0.00 O ATOM 274 CG2 THR A 15 10.876 19.455 -0.953 1.00 0.00 C ATOM 0 H THR A 15 7.685 19.746 0.621 1.00 0.00 H new ATOM 0 HA THR A 15 8.766 17.090 0.073 1.00 0.00 H new ATOM 0 HB THR A 15 9.018 19.029 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.678 17.528 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.388 19.661 -1.893 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.506 20.389 -0.530 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.572 18.991 -0.254 1.00 0.00 H new ATOM 282 N THR A 16 10.369 17.596 1.925 1.00 0.00 N ATOM 283 CA THR A 16 11.075 17.806 3.167 1.00 0.00 C ATOM 284 C THR A 16 12.368 18.590 2.961 1.00 0.00 C ATOM 285 O THR A 16 12.623 19.122 1.877 1.00 0.00 O ATOM 286 CB THR A 16 11.401 16.459 3.815 1.00 0.00 C ATOM 287 OG1 THR A 16 12.187 15.673 2.913 1.00 0.00 O ATOM 288 CG2 THR A 16 10.129 15.708 4.175 1.00 0.00 C ATOM 0 H THR A 16 10.440 16.647 1.557 1.00 0.00 H new ATOM 0 HA THR A 16 10.424 18.389 3.818 1.00 0.00 H new ATOM 0 HB THR A 16 11.963 16.641 4.731 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.411 14.817 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.387 14.754 4.634 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.542 16.301 4.877 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.544 15.530 3.273 1.00 0.00 H new ATOM 296 N VAL A 17 13.191 18.653 3.998 1.00 0.00 N ATOM 297 CA VAL A 17 14.474 19.322 3.909 1.00 0.00 C ATOM 298 C VAL A 17 15.400 18.586 2.956 1.00 0.00 C ATOM 299 O VAL A 17 16.348 19.156 2.418 1.00 0.00 O ATOM 300 CB VAL A 17 15.167 19.452 5.277 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.458 20.479 6.145 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.237 18.106 5.986 1.00 0.00 C ATOM 0 H VAL A 17 12.989 18.247 4.912 1.00 0.00 H new ATOM 0 HA VAL A 17 14.270 20.325 3.533 1.00 0.00 H new ATOM 0 HB VAL A 17 16.187 19.795 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.965 20.554 7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.476 21.449 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.424 20.171 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.731 18.228 6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.228 17.724 6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.802 17.402 5.375 1.00 0.00 H new ATOM 312 N THR A 18 15.093 17.324 2.739 1.00 0.00 N ATOM 313 CA THR A 18 15.859 16.483 1.848 1.00 0.00 C ATOM 314 C THR A 18 15.242 16.530 0.466 1.00 0.00 C ATOM 315 O THR A 18 15.838 16.101 -0.523 1.00 0.00 O ATOM 316 CB THR A 18 15.823 15.033 2.341 1.00 0.00 C ATOM 317 OG1 THR A 18 14.500 14.508 2.146 1.00 0.00 O ATOM 318 CG2 THR A 18 16.169 14.959 3.819 1.00 0.00 C ATOM 0 H THR A 18 14.302 16.853 3.178 1.00 0.00 H new ATOM 0 HA THR A 18 16.888 16.840 1.820 1.00 0.00 H new ATOM 0 HB THR A 18 16.554 14.452 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.839 15.189 2.388 1.00 0.00 H new ATOM 0 HG21 THR A 18 16.138 13.920 4.148 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.170 15.360 3.979 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.448 15.543 4.391 1.00 0.00 H new ATOM 326 N GLY A 19 14.034 17.065 0.422 1.00 0.00 N ATOM 327 CA GLY A 19 13.261 17.061 -0.793 1.00 0.00 C ATOM 328 C GLY A 19 12.541 15.748 -0.989 1.00 0.00 C ATOM 329 O GLY A 19 12.182 15.394 -2.112 1.00 0.00 O ATOM 0 H GLY A 19 13.573 17.506 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.536 17.874 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.917 17.247 -1.643 1.00 0.00 H new ATOM 333 N THR A 20 12.356 14.998 0.093 1.00 0.00 N ATOM 334 CA THR A 20 11.470 13.853 0.052 1.00 0.00 C ATOM 335 C THR A 20 10.021 14.332 0.096 1.00 0.00 C ATOM 336 O THR A 20 9.622 15.024 1.029 1.00 0.00 O ATOM 337 CB THR A 20 11.734 12.884 1.223 1.00 0.00 C ATOM 338 OG1 THR A 20 13.076 12.379 1.148 1.00 0.00 O ATOM 339 CG2 THR A 20 10.752 11.723 1.197 1.00 0.00 C ATOM 0 H THR A 20 12.803 15.164 0.995 1.00 0.00 H new ATOM 0 HA THR A 20 11.659 13.312 -0.875 1.00 0.00 H new ATOM 0 HB THR A 20 11.601 13.432 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.704 13.074 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.958 11.053 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.735 12.105 1.281 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.859 11.177 0.260 1.00 0.00 H new ATOM 347 N PRO A 21 9.235 14.022 -0.947 1.00 0.00 N ATOM 348 CA PRO A 21 7.805 14.353 -0.995 1.00 0.00 C ATOM 349 C PRO A 21 7.050 13.936 0.259 1.00 0.00 C ATOM 350 O PRO A 21 7.232 12.830 0.782 1.00 0.00 O ATOM 351 CB PRO A 21 7.313 13.541 -2.176 1.00 0.00 C ATOM 352 CG PRO A 21 8.480 13.485 -3.087 1.00 0.00 C ATOM 353 CD PRO A 21 9.677 13.351 -2.185 1.00 0.00 C ATOM 0 HA PRO A 21 7.646 15.428 -1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.998 12.543 -1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.455 14.013 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.406 12.640 -3.771 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.546 14.385 -3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.935 12.307 -2.008 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.559 13.829 -2.611 1.00 0.00 H new ATOM 361 N CYS A 22 6.206 14.827 0.732 1.00 0.00 N ATOM 362 CA CYS A 22 5.393 14.564 1.898 1.00 0.00 C ATOM 363 C CYS A 22 4.233 13.652 1.549 1.00 0.00 C ATOM 364 O CYS A 22 3.672 13.716 0.455 1.00 0.00 O ATOM 365 CB CYS A 22 4.881 15.874 2.484 1.00 0.00 C ATOM 366 SG CYS A 22 6.214 17.010 2.961 1.00 0.00 S ATOM 0 H CYS A 22 6.065 15.750 0.321 1.00 0.00 H new ATOM 0 HA CYS A 22 6.009 14.061 2.643 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.237 16.365 1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.266 15.658 3.357 1.00 0.00 H new ATOM 371 N GLN A 23 3.920 12.778 2.480 1.00 0.00 N ATOM 372 CA GLN A 23 2.746 11.940 2.409 1.00 0.00 C ATOM 373 C GLN A 23 1.522 12.782 2.622 1.00 0.00 C ATOM 374 O GLN A 23 1.606 13.898 3.134 1.00 0.00 O ATOM 375 CB GLN A 23 2.791 10.911 3.521 1.00 0.00 C ATOM 376 CG GLN A 23 1.787 9.782 3.384 1.00 0.00 C ATOM 377 CD GLN A 23 1.951 8.784 4.497 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.757 7.882 4.386 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.134 8.882 5.531 1.00 0.00 N ATOM 0 H GLN A 23 4.482 12.628 3.318 1.00 0.00 H new ATOM 0 HA GLN A 23 2.717 11.453 1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.793 10.484 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.621 11.416 4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.775 10.186 3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.919 9.286 2.422 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.471 9.656 5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.166 8.184 6.274 1.00 0.00 H new ATOM 388 N ASP A 24 0.389 12.221 2.296 1.00 0.00 N ATOM 389 CA ASP A 24 -0.853 12.883 2.541 1.00 0.00 C ATOM 390 C ASP A 24 -1.108 12.723 4.009 1.00 0.00 C ATOM 391 O ASP A 24 -1.012 11.612 4.548 1.00 0.00 O ATOM 392 CB ASP A 24 -1.978 12.226 1.761 1.00 0.00 C ATOM 393 CG ASP A 24 -3.180 13.119 1.556 1.00 0.00 C ATOM 394 OD1 ASP A 24 -3.814 13.511 2.552 1.00 0.00 O ATOM 395 OD2 ASP A 24 -3.522 13.392 0.386 1.00 0.00 O ATOM 0 H ASP A 24 0.306 11.303 1.859 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.810 13.928 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.599 11.914 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.293 11.324 2.285 1.00 0.00 H new ATOM 400 N TRP A 25 -1.384 13.816 4.654 1.00 0.00 N ATOM 401 CA TRP A 25 -1.692 13.802 6.069 1.00 0.00 C ATOM 402 C TRP A 25 -2.885 12.892 6.304 1.00 0.00 C ATOM 403 O TRP A 25 -3.016 12.263 7.349 1.00 0.00 O ATOM 404 CB TRP A 25 -1.998 15.209 6.569 1.00 0.00 C ATOM 405 CG TRP A 25 -0.939 16.206 6.232 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.875 16.965 5.111 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.201 16.564 7.023 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.232 17.762 5.149 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.905 17.546 6.316 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.689 16.154 8.256 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.074 18.127 6.805 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.845 16.728 8.749 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.525 17.707 8.027 1.00 0.00 C ATOM 0 H TRP A 25 -1.404 14.742 4.226 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.829 13.430 6.621 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.945 15.539 6.143 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.128 15.181 7.651 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.594 16.942 4.306 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.512 18.417 4.419 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.171 15.395 8.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.604 18.880 6.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.228 16.413 9.709 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.424 18.142 8.439 1.00 0.00 H new ATOM 424 N ALA A 26 -3.746 12.837 5.304 1.00 0.00 N ATOM 425 CA ALA A 26 -4.910 11.966 5.332 1.00 0.00 C ATOM 426 C ALA A 26 -4.567 10.504 5.025 1.00 0.00 C ATOM 427 O ALA A 26 -5.351 9.611 5.348 1.00 0.00 O ATOM 428 CB ALA A 26 -5.978 12.467 4.372 1.00 0.00 C ATOM 0 H ALA A 26 -3.660 13.392 4.452 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.296 11.996 6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.841 11.802 4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.283 13.473 4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.576 12.486 3.359 1.00 0.00 H new ATOM 434 N ALA A 27 -3.405 10.227 4.424 1.00 0.00 N ATOM 435 CA ALA A 27 -3.112 8.879 4.013 1.00 0.00 C ATOM 436 C ALA A 27 -2.303 8.215 5.091 1.00 0.00 C ATOM 437 O ALA A 27 -1.549 8.868 5.780 1.00 0.00 O ATOM 438 CB ALA A 27 -2.357 8.862 2.693 1.00 0.00 C ATOM 0 H ALA A 27 -2.676 10.911 4.221 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.045 8.336 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.149 7.831 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.962 9.338 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.418 9.405 2.804 1.00 0.00 H new ATOM 444 N GLN A 28 -2.450 6.925 5.225 1.00 0.00 N ATOM 445 CA GLN A 28 -1.722 6.157 6.209 1.00 0.00 C ATOM 446 C GLN A 28 -0.658 5.436 5.442 1.00 0.00 C ATOM 447 O GLN A 28 -0.256 4.319 5.767 1.00 0.00 O ATOM 448 CB GLN A 28 -2.647 5.137 6.872 1.00 0.00 C ATOM 449 CG GLN A 28 -3.869 5.746 7.527 1.00 0.00 C ATOM 450 CD GLN A 28 -3.493 6.706 8.618 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.321 6.314 9.763 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.346 7.971 8.270 1.00 0.00 N ATOM 0 H GLN A 28 -3.083 6.368 4.651 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.311 6.794 6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.971 4.415 6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.082 4.585 7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.465 6.264 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.494 4.954 7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.500 8.255 7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.079 8.664 8.969 1.00 0.00 H new ATOM 461 N GLU A 29 -0.229 6.091 4.387 1.00 0.00 N ATOM 462 CA GLU A 29 0.325 5.378 3.288 1.00 0.00 C ATOM 463 C GLU A 29 1.420 6.122 2.546 1.00 0.00 C ATOM 464 O GLU A 29 1.195 7.215 2.032 1.00 0.00 O ATOM 465 CB GLU A 29 -0.830 5.073 2.367 1.00 0.00 C ATOM 466 CG GLU A 29 -1.711 3.935 2.842 1.00 0.00 C ATOM 467 CD GLU A 29 -2.744 3.539 1.815 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.425 2.711 0.936 1.00 0.00 O ATOM 469 OE2 GLU A 29 -3.873 4.058 1.871 1.00 0.00 O ATOM 0 H GLU A 29 -0.258 7.105 4.278 1.00 0.00 H new ATOM 0 HA GLU A 29 0.818 4.480 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.440 5.970 2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.439 4.829 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.089 3.072 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.213 4.228 3.764 1.00 0.00 H new ATOM 476 N PRO A 30 2.617 5.517 2.450 1.00 0.00 N ATOM 477 CA PRO A 30 2.899 4.197 3.026 1.00 0.00 C ATOM 478 C PRO A 30 3.346 4.270 4.489 1.00 0.00 C ATOM 479 O PRO A 30 4.121 3.441 4.961 1.00 0.00 O ATOM 480 CB PRO A 30 4.031 3.691 2.138 1.00 0.00 C ATOM 481 CG PRO A 30 4.783 4.919 1.744 1.00 0.00 C ATOM 482 CD PRO A 30 3.787 6.056 1.731 1.00 0.00 C ATOM 0 HA PRO A 30 2.019 3.554 3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.671 2.990 2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.644 3.166 1.264 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.590 5.120 2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.240 4.794 0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.186 6.941 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.529 6.349 0.713 1.00 0.00 H new ATOM 490 N HIS A 31 2.863 5.282 5.193 1.00 0.00 N ATOM 491 CA HIS A 31 3.173 5.469 6.598 1.00 0.00 C ATOM 492 C HIS A 31 1.881 5.696 7.344 1.00 0.00 C ATOM 493 O HIS A 31 1.228 6.738 7.197 1.00 0.00 O ATOM 494 CB HIS A 31 4.136 6.648 6.797 1.00 0.00 C ATOM 495 CG HIS A 31 5.436 6.466 6.085 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.556 6.559 4.722 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.668 6.170 6.548 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.802 6.321 4.375 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.506 6.086 5.464 1.00 0.00 N ATOM 0 H HIS A 31 2.246 5.995 4.805 1.00 0.00 H new ATOM 0 HA HIS A 31 3.671 4.580 6.986 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.660 7.563 6.444 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.327 6.779 7.862 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.944 6.026 7.582 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.185 6.319 3.365 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.504 5.877 5.496 1.00 0.00 H new ATOM 508 N ARG A 32 1.477 4.702 8.099 1.00 0.00 N ATOM 509 CA ARG A 32 0.201 4.748 8.768 1.00 0.00 C ATOM 510 C ARG A 32 0.291 5.709 9.955 1.00 0.00 C ATOM 511 O ARG A 32 1.184 5.595 10.793 1.00 0.00 O ATOM 512 CB ARG A 32 -0.233 3.332 9.210 1.00 0.00 C ATOM 513 CG ARG A 32 0.498 2.746 10.427 1.00 0.00 C ATOM 514 CD ARG A 32 2.019 2.735 10.276 1.00 0.00 C ATOM 515 NE ARG A 32 2.477 1.990 9.100 1.00 0.00 N ATOM 516 CZ ARG A 32 3.757 1.925 8.716 1.00 0.00 C ATOM 517 NH1 ARG A 32 4.700 2.567 9.405 1.00 0.00 N ATOM 518 NH2 ARG A 32 4.094 1.206 7.654 1.00 0.00 N ATOM 0 H ARG A 32 2.015 3.851 8.265 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.561 5.116 8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.300 3.354 9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.095 2.653 8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.233 3.323 11.313 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.150 1.727 10.594 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.379 3.762 10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.463 2.298 11.170 1.00 0.00 H new ATOM 0 HE ARG A 32 1.781 1.493 8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.447 3.111 10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.674 2.514 9.108 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.378 0.703 7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.070 1.156 7.361 1.00 0.00 H new ATOM 532 N HIS A 33 -0.595 6.685 10.005 1.00 0.00 N ATOM 533 CA HIS A 33 -0.557 7.674 11.075 1.00 0.00 C ATOM 534 C HIS A 33 -1.936 8.292 11.297 1.00 0.00 C ATOM 535 O HIS A 33 -2.371 9.188 10.578 1.00 0.00 O ATOM 536 CB HIS A 33 0.476 8.767 10.765 1.00 0.00 C ATOM 537 CG HIS A 33 0.112 9.591 9.577 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.049 10.943 9.623 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.190 9.229 8.331 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.433 11.390 8.457 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.524 10.372 7.642 1.00 0.00 N ATOM 0 H HIS A 33 -1.345 6.818 9.326 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.260 7.166 11.992 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.581 9.417 11.633 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.448 8.303 10.595 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.108 11.522 10.448 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.175 8.224 7.935 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.639 12.421 8.210 1.00 0.00 H new ATOM 550 N SER A 34 -2.633 7.787 12.276 1.00 0.00 N ATOM 551 CA SER A 34 -3.914 8.359 12.676 1.00 0.00 C ATOM 552 C SER A 34 -3.681 9.597 13.548 1.00 0.00 C ATOM 553 O SER A 34 -4.450 9.898 14.463 1.00 0.00 O ATOM 554 CB SER A 34 -4.742 7.310 13.418 1.00 0.00 C ATOM 555 OG SER A 34 -4.908 6.148 12.616 1.00 0.00 O ATOM 0 H SER A 34 -2.344 6.976 12.822 1.00 0.00 H new ATOM 0 HA SER A 34 -4.469 8.666 11.790 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.250 7.046 14.354 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.717 7.723 13.676 1.00 0.00 H new ATOM 0 HG SER A 34 -4.537 6.311 11.724 1.00 0.00 H new ATOM 561 N ILE A 35 -2.606 10.310 13.234 1.00 0.00 N ATOM 562 CA ILE A 35 -2.165 11.455 13.979 1.00 0.00 C ATOM 563 C ILE A 35 -1.646 12.476 12.995 1.00 0.00 C ATOM 564 O ILE A 35 -1.074 12.110 11.959 1.00 0.00 O ATOM 565 CB ILE A 35 -1.053 11.107 14.992 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.126 10.448 14.272 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.588 10.208 16.098 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.296 10.131 15.178 1.00 0.00 C ATOM 0 H ILE A 35 -2.012 10.093 12.434 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.008 11.841 14.552 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.704 12.029 15.456 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.217 9.527 13.801 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.466 11.107 13.473 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.786 9.977 16.799 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.394 10.719 16.625 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.968 9.283 15.663 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.092 9.666 14.596 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.667 11.051 15.629 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.974 9.447 15.963 1.00 0.00 H new ATOM 580 N PHE A 36 -1.844 13.730 13.319 1.00 0.00 N ATOM 581 CA PHE A 36 -1.497 14.825 12.452 1.00 0.00 C ATOM 582 C PHE A 36 -2.049 14.614 11.048 1.00 0.00 C ATOM 583 O PHE A 36 -1.332 14.677 10.051 1.00 0.00 O ATOM 584 CB PHE A 36 0.013 15.054 12.450 1.00 0.00 C ATOM 585 CG PHE A 36 0.600 15.136 13.834 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.405 16.258 14.618 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.342 14.086 14.349 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.940 16.337 15.888 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.879 14.156 15.620 1.00 0.00 C ATOM 590 CZ PHE A 36 1.678 15.284 16.391 1.00 0.00 C ATOM 0 H PHE A 36 -2.257 14.021 14.205 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.963 15.731 12.840 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.497 14.244 11.904 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.234 15.976 11.913 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.174 17.084 14.232 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.503 13.202 13.750 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.782 17.221 16.487 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.455 13.330 16.010 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.097 15.342 17.385 1.00 0.00 H new ATOM 600 N THR A 37 -3.333 14.323 11.005 1.00 0.00 N ATOM 601 CA THR A 37 -4.076 14.263 9.765 1.00 0.00 C ATOM 602 C THR A 37 -4.846 15.568 9.580 1.00 0.00 C ATOM 603 O THR A 37 -4.806 16.435 10.456 1.00 0.00 O ATOM 604 CB THR A 37 -5.092 13.102 9.790 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.155 13.417 10.703 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.431 11.798 10.210 1.00 0.00 C ATOM 0 H THR A 37 -3.892 14.121 11.834 1.00 0.00 H new ATOM 0 HA THR A 37 -3.371 14.107 8.948 1.00 0.00 H new ATOM 0 HB THR A 37 -5.489 12.973 8.783 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.784 13.573 11.596 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.173 11.000 10.218 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.638 11.549 9.505 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.008 11.910 11.208 1.00 0.00 H new ATOM 614 N PRO A 38 -5.566 15.738 8.463 1.00 0.00 N ATOM 615 CA PRO A 38 -6.482 16.866 8.299 1.00 0.00 C ATOM 616 C PRO A 38 -7.574 16.853 9.360 1.00 0.00 C ATOM 617 O PRO A 38 -8.072 17.901 9.780 1.00 0.00 O ATOM 618 CB PRO A 38 -7.115 16.628 6.928 1.00 0.00 C ATOM 619 CG PRO A 38 -6.161 15.738 6.210 1.00 0.00 C ATOM 620 CD PRO A 38 -5.533 14.880 7.265 1.00 0.00 C ATOM 0 HA PRO A 38 -5.966 17.822 8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.095 16.161 7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.259 17.566 6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.677 15.130 5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.407 16.319 5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.091 13.956 7.417 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.514 14.598 7.000 1.00 0.00 H new ATOM 628 N GLU A 39 -7.910 15.654 9.817 1.00 0.00 N ATOM 629 CA GLU A 39 -9.099 15.456 10.625 1.00 0.00 C ATOM 630 C GLU A 39 -8.773 15.593 12.101 1.00 0.00 C ATOM 631 O GLU A 39 -9.606 16.030 12.891 1.00 0.00 O ATOM 632 CB GLU A 39 -9.692 14.077 10.336 1.00 0.00 C ATOM 633 CG GLU A 39 -9.762 13.740 8.851 1.00 0.00 C ATOM 634 CD GLU A 39 -10.726 14.616 8.068 1.00 0.00 C ATOM 635 OE1 GLU A 39 -10.700 15.853 8.226 1.00 0.00 O ATOM 636 OE2 GLU A 39 -11.505 14.064 7.264 1.00 0.00 O ATOM 0 H GLU A 39 -7.373 14.805 9.640 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.831 16.221 10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.094 13.320 10.844 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.695 14.027 10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.766 13.836 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.060 12.697 8.738 1.00 0.00 H new ATOM 643 N THR A 40 -7.552 15.239 12.467 1.00 0.00 N ATOM 644 CA THR A 40 -7.134 15.300 13.853 1.00 0.00 C ATOM 645 C THR A 40 -6.557 16.670 14.168 1.00 0.00 C ATOM 646 O THR A 40 -6.490 17.080 15.329 1.00 0.00 O ATOM 647 CB THR A 40 -6.088 14.214 14.170 1.00 0.00 C ATOM 648 OG1 THR A 40 -5.004 14.296 13.233 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.709 12.826 14.117 1.00 0.00 C ATOM 0 H THR A 40 -6.835 14.907 11.822 1.00 0.00 H new ATOM 0 HA THR A 40 -8.013 15.124 14.473 1.00 0.00 H new ATOM 0 HB THR A 40 -5.713 14.384 15.179 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.414 15.038 13.480 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.949 12.078 14.345 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.514 12.759 14.849 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.109 12.644 13.120 1.00 0.00 H new ATOM 657 N ASN A 41 -6.154 17.386 13.124 1.00 0.00 N ATOM 658 CA ASN A 41 -5.541 18.691 13.300 1.00 0.00 C ATOM 659 C ASN A 41 -6.123 19.721 12.341 1.00 0.00 C ATOM 660 O ASN A 41 -5.434 20.234 11.466 1.00 0.00 O ATOM 661 CB ASN A 41 -4.029 18.597 13.117 1.00 0.00 C ATOM 662 CG ASN A 41 -3.387 17.738 14.173 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.283 16.522 14.029 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.948 18.367 15.244 1.00 0.00 N ATOM 0 H ASN A 41 -6.241 17.084 12.154 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.759 19.022 14.315 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.808 18.187 12.132 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.597 19.597 13.150 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.501 17.843 15.996 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.055 19.378 15.321 1.00 0.00 H new ATOM 671 N PRO A 42 -7.395 20.078 12.514 1.00 0.00 N ATOM 672 CA PRO A 42 -8.034 21.093 11.683 1.00 0.00 C ATOM 673 C PRO A 42 -7.581 22.505 12.062 1.00 0.00 C ATOM 674 O PRO A 42 -8.136 23.496 11.588 1.00 0.00 O ATOM 675 CB PRO A 42 -9.521 20.905 11.976 1.00 0.00 C ATOM 676 CG PRO A 42 -9.573 20.317 13.346 1.00 0.00 C ATOM 677 CD PRO A 42 -8.308 19.523 13.525 1.00 0.00 C ATOM 0 HA PRO A 42 -7.783 20.984 10.628 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.055 21.854 11.933 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.987 20.244 11.245 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.648 21.100 14.100 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.449 19.679 13.460 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.905 19.635 14.532 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.479 18.458 13.367 1.00 0.00 H new ATOM 685 N ARG A 43 -6.556 22.585 12.912 1.00 0.00 N ATOM 686 CA ARG A 43 -6.062 23.855 13.407 1.00 0.00 C ATOM 687 C ARG A 43 -4.870 24.329 12.587 1.00 0.00 C ATOM 688 O ARG A 43 -4.584 25.523 12.529 1.00 0.00 O ATOM 689 CB ARG A 43 -5.658 23.714 14.874 1.00 0.00 C ATOM 690 CG ARG A 43 -4.477 22.781 15.094 1.00 0.00 C ATOM 691 CD ARG A 43 -4.245 22.524 16.569 1.00 0.00 C ATOM 692 NE ARG A 43 -2.962 21.866 16.823 1.00 0.00 N ATOM 693 CZ ARG A 43 -2.671 21.195 17.942 1.00 0.00 C ATOM 694 NH1 ARG A 43 -3.575 21.060 18.904 1.00 0.00 N ATOM 695 NH2 ARG A 43 -1.472 20.649 18.094 1.00 0.00 N ATOM 0 H ARG A 43 -6.053 21.773 13.270 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.858 24.595 13.317 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.411 24.699 15.270 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.512 23.346 15.443 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.657 21.836 14.582 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.580 23.216 14.653 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.279 23.470 17.110 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.052 21.904 16.959 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.245 21.923 16.100 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.502 21.470 18.794 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.343 20.546 19.754 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.773 20.741 17.357 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.249 20.137 18.948 1.00 0.00 H new ATOM 709 N ALA A 44 -4.171 23.395 11.944 1.00 0.00 N ATOM 710 CA ALA A 44 -2.993 23.758 11.188 1.00 0.00 C ATOM 711 C ALA A 44 -3.267 23.693 9.695 1.00 0.00 C ATOM 712 O ALA A 44 -2.389 23.946 8.874 1.00 0.00 O ATOM 713 CB ALA A 44 -1.807 22.887 11.580 1.00 0.00 C ATOM 0 H ALA A 44 -4.401 22.401 11.935 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.736 24.789 11.429 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.933 23.179 10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.596 23.016 12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.042 21.841 11.382 1.00 0.00 H new ATOM 719 N GLY A 45 -4.503 23.351 9.362 1.00 0.00 N ATOM 720 CA GLY A 45 -4.934 23.355 7.981 1.00 0.00 C ATOM 721 C GLY A 45 -4.222 22.313 7.159 1.00 0.00 C ATOM 722 O GLY A 45 -3.765 22.588 6.054 1.00 0.00 O ATOM 0 H GLY A 45 -5.220 23.069 10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.009 23.178 7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.756 24.340 7.549 1.00 0.00 H new ATOM 726 N LEU A 46 -4.113 21.118 7.715 1.00 0.00 N ATOM 727 CA LEU A 46 -3.447 20.019 7.041 1.00 0.00 C ATOM 728 C LEU A 46 -4.310 19.493 5.907 1.00 0.00 C ATOM 729 O LEU A 46 -5.260 18.759 6.135 1.00 0.00 O ATOM 730 CB LEU A 46 -3.131 18.885 8.025 1.00 0.00 C ATOM 731 CG LEU A 46 -2.162 19.248 9.163 1.00 0.00 C ATOM 732 CD1 LEU A 46 -2.848 20.041 10.247 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.532 18.003 9.753 1.00 0.00 C ATOM 0 H LEU A 46 -4.480 20.885 8.638 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.509 20.394 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.066 18.537 8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.711 18.049 7.466 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.379 19.871 8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.131 20.279 11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.245 20.965 9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.665 19.453 10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.851 18.285 10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.312 17.354 10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.979 17.473 8.978 1.00 0.00 H new ATOM 745 N GLU A 47 -3.998 19.903 4.695 1.00 0.00 N ATOM 746 CA GLU A 47 -4.679 19.400 3.529 1.00 0.00 C ATOM 747 C GLU A 47 -3.691 18.697 2.619 1.00 0.00 C ATOM 748 O GLU A 47 -2.539 19.123 2.498 1.00 0.00 O ATOM 749 CB GLU A 47 -5.372 20.532 2.777 1.00 0.00 C ATOM 750 CG GLU A 47 -4.592 21.835 2.761 1.00 0.00 C ATOM 751 CD GLU A 47 -5.230 22.879 1.872 1.00 0.00 C ATOM 752 OE1 GLU A 47 -6.333 23.357 2.198 1.00 0.00 O ATOM 753 OE2 GLU A 47 -4.636 23.215 0.827 1.00 0.00 O ATOM 0 H GLU A 47 -3.270 20.589 4.495 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.439 18.688 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.550 20.215 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.347 20.711 3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.518 22.223 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.575 21.642 2.418 1.00 0.00 H new ATOM 760 N LYS A 48 -4.144 17.617 2.001 1.00 0.00 N ATOM 761 CA LYS A 48 -3.328 16.858 1.070 1.00 0.00 C ATOM 762 C LYS A 48 -1.997 16.454 1.692 1.00 0.00 C ATOM 763 O LYS A 48 -1.962 15.712 2.668 1.00 0.00 O ATOM 764 CB LYS A 48 -3.103 17.650 -0.222 1.00 0.00 C ATOM 765 CG LYS A 48 -4.354 17.788 -1.076 1.00 0.00 C ATOM 766 CD LYS A 48 -4.977 16.430 -1.351 1.00 0.00 C ATOM 767 CE LYS A 48 -4.026 15.524 -2.114 1.00 0.00 C ATOM 768 NZ LYS A 48 -4.416 14.096 -2.004 1.00 0.00 N ATOM 0 H LYS A 48 -5.084 17.244 2.131 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.869 15.944 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.734 18.644 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.325 17.160 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.076 18.428 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.104 18.275 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.253 15.958 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.896 16.559 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.010 15.816 -3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.014 15.655 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.966 13.553 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.106 13.721 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.450 14.011 -2.082 1.00 0.00 H new ATOM 782 N ASN A 49 -0.904 16.965 1.152 1.00 0.00 N ATOM 783 CA ASN A 49 0.409 16.625 1.657 1.00 0.00 C ATOM 784 C ASN A 49 1.271 17.869 1.784 1.00 0.00 C ATOM 785 O ASN A 49 2.492 17.789 1.893 1.00 0.00 O ATOM 786 CB ASN A 49 1.079 15.588 0.752 1.00 0.00 C ATOM 787 CG ASN A 49 1.419 16.102 -0.637 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.719 16.950 -1.200 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.499 15.577 -1.200 1.00 0.00 N ATOM 0 H ASN A 49 -0.902 17.615 0.366 1.00 0.00 H new ATOM 0 HA ASN A 49 0.295 16.189 2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.993 15.239 1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.420 14.725 0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.781 15.871 -2.135 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.048 14.879 -0.698 1.00 0.00 H new ATOM 796 N TYR A 50 0.618 19.024 1.785 1.00 0.00 N ATOM 797 CA TYR A 50 1.326 20.295 1.946 1.00 0.00 C ATOM 798 C TYR A 50 1.873 20.385 3.361 1.00 0.00 C ATOM 799 O TYR A 50 1.131 20.187 4.318 1.00 0.00 O ATOM 800 CB TYR A 50 0.400 21.486 1.690 1.00 0.00 C ATOM 801 CG TYR A 50 -0.447 21.367 0.446 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.113 21.459 -0.820 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.812 21.165 0.543 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.670 21.352 -1.953 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.601 21.058 -0.579 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.028 21.151 -1.826 1.00 0.00 C ATOM 807 OH TYR A 50 -2.814 21.045 -2.949 1.00 0.00 O ATOM 0 H TYR A 50 -0.393 19.111 1.677 1.00 0.00 H new ATOM 0 HA TYR A 50 2.137 20.329 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.257 21.610 2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.004 22.390 1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.177 21.617 -0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.268 21.090 1.519 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.221 21.425 -2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.665 20.902 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.747 20.904 -2.683 1.00 0.00 H new ATOM 817 N CYS A 51 3.158 20.705 3.489 1.00 0.00 N ATOM 818 CA CYS A 51 3.834 20.699 4.775 1.00 0.00 C ATOM 819 C CYS A 51 3.111 21.565 5.785 1.00 0.00 C ATOM 820 O CYS A 51 2.431 22.525 5.417 1.00 0.00 O ATOM 821 CB CYS A 51 5.262 21.194 4.609 1.00 0.00 C ATOM 822 SG CYS A 51 6.276 20.149 3.529 1.00 0.00 S ATOM 0 H CYS A 51 3.754 20.974 2.706 1.00 0.00 H new ATOM 0 HA CYS A 51 3.838 19.674 5.147 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.241 22.206 4.205 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.733 21.252 5.590 1.00 0.00 H new ATOM 827 N ARG A 52 3.277 21.230 7.052 1.00 0.00 N ATOM 828 CA ARG A 52 2.607 21.931 8.134 1.00 0.00 C ATOM 829 C ARG A 52 3.375 21.741 9.418 1.00 0.00 C ATOM 830 O ARG A 52 4.298 20.936 9.478 1.00 0.00 O ATOM 831 CB ARG A 52 1.177 21.411 8.329 1.00 0.00 C ATOM 832 CG ARG A 52 0.180 21.989 7.349 1.00 0.00 C ATOM 833 CD ARG A 52 0.349 23.493 7.253 1.00 0.00 C ATOM 834 NE ARG A 52 -0.764 24.140 6.582 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.899 24.226 5.253 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.028 23.712 4.449 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.961 24.822 4.727 1.00 0.00 N ATOM 0 H ARG A 52 3.879 20.466 7.360 1.00 0.00 H new ATOM 0 HA ARG A 52 2.564 22.988 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.179 20.325 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.851 21.642 9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.321 21.537 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.834 21.750 7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.454 23.907 8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.271 23.717 6.717 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.492 24.557 7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.847 23.250 4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.080 23.780 3.437 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.678 25.217 5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.060 24.886 3.714 1.00 0.00 H new ATOM 851 N ASN A 53 3.010 22.482 10.443 1.00 0.00 N ATOM 852 CA ASN A 53 3.544 22.207 11.759 1.00 0.00 C ATOM 853 C ASN A 53 2.403 22.083 12.754 1.00 0.00 C ATOM 854 O ASN A 53 2.135 23.009 13.516 1.00 0.00 O ATOM 855 CB ASN A 53 4.518 23.288 12.220 1.00 0.00 C ATOM 856 CG ASN A 53 5.481 22.754 13.255 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.240 21.707 13.859 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.552 23.485 13.497 1.00 0.00 N ATOM 0 H ASN A 53 2.358 23.265 10.393 1.00 0.00 H new ATOM 0 HA ASN A 53 4.097 21.270 11.705 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.075 23.668 11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.962 24.128 12.637 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.221 23.190 14.209 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.712 24.345 12.973 1.00 0.00 H new ATOM 865 N PRO A 54 1.706 20.934 12.752 1.00 0.00 N ATOM 866 CA PRO A 54 0.575 20.708 13.645 1.00 0.00 C ATOM 867 C PRO A 54 1.004 20.540 15.097 1.00 0.00 C ATOM 868 O PRO A 54 0.179 20.590 16.007 1.00 0.00 O ATOM 869 CB PRO A 54 -0.077 19.433 13.112 1.00 0.00 C ATOM 870 CG PRO A 54 0.990 18.731 12.349 1.00 0.00 C ATOM 871 CD PRO A 54 1.961 19.780 11.875 1.00 0.00 C ATOM 0 HA PRO A 54 -0.105 21.560 13.653 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.450 18.813 13.927 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.929 19.665 12.473 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.493 17.997 12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.566 18.189 11.504 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.992 19.436 11.960 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.795 20.032 10.828 1.00 0.00 H new ATOM 879 N ASP A 55 2.297 20.340 15.305 1.00 0.00 N ATOM 880 CA ASP A 55 2.856 20.293 16.648 1.00 0.00 C ATOM 881 C ASP A 55 3.355 21.674 17.025 1.00 0.00 C ATOM 882 O ASP A 55 3.424 22.046 18.196 1.00 0.00 O ATOM 883 CB ASP A 55 4.037 19.326 16.716 1.00 0.00 C ATOM 884 CG ASP A 55 4.028 18.490 17.979 1.00 0.00 C ATOM 885 OD1 ASP A 55 4.241 19.050 19.074 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.801 17.265 17.886 1.00 0.00 O ATOM 0 H ASP A 55 2.980 20.207 14.559 1.00 0.00 H new ATOM 0 HA ASP A 55 2.077 19.956 17.331 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.014 18.667 15.848 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.968 19.890 16.664 1.00 0.00 H new ATOM 891 N GLY A 56 3.689 22.427 15.988 1.00 0.00 N ATOM 892 CA GLY A 56 4.391 23.672 16.144 1.00 0.00 C ATOM 893 C GLY A 56 5.741 23.453 16.755 1.00 0.00 C ATOM 894 O GLY A 56 6.163 24.208 17.629 1.00 0.00 O ATOM 0 H GLY A 56 3.477 22.184 15.020 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.501 24.156 15.173 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.808 24.346 16.772 1.00 0.00 H new ATOM 898 N ASP A 57 6.400 22.388 16.309 1.00 0.00 N ATOM 899 CA ASP A 57 7.779 22.134 16.686 1.00 0.00 C ATOM 900 C ASP A 57 8.600 23.397 16.494 1.00 0.00 C ATOM 901 O ASP A 57 8.508 24.044 15.451 1.00 0.00 O ATOM 902 CB ASP A 57 8.382 21.023 15.834 1.00 0.00 C ATOM 903 CG ASP A 57 9.730 20.573 16.358 1.00 0.00 C ATOM 904 OD1 ASP A 57 9.765 19.762 17.307 1.00 0.00 O ATOM 905 OD2 ASP A 57 10.757 21.045 15.843 1.00 0.00 O ATOM 0 H ASP A 57 5.997 21.688 15.685 1.00 0.00 H new ATOM 0 HA ASP A 57 7.794 21.827 17.732 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.700 20.173 15.811 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.491 21.372 14.807 1.00 0.00 H new ATOM 910 N VAL A 58 9.413 23.730 17.482 1.00 0.00 N ATOM 911 CA VAL A 58 10.188 24.966 17.462 1.00 0.00 C ATOM 912 C VAL A 58 11.334 24.873 16.451 1.00 0.00 C ATOM 913 O VAL A 58 12.166 25.773 16.334 1.00 0.00 O ATOM 914 CB VAL A 58 10.742 25.288 18.868 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.235 26.726 18.949 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.681 25.025 19.925 1.00 0.00 C ATOM 0 H VAL A 58 9.556 23.159 18.315 1.00 0.00 H new ATOM 0 HA VAL A 58 9.523 25.774 17.158 1.00 0.00 H new ATOM 0 HB VAL A 58 11.593 24.633 19.056 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.619 26.923 19.950 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.029 26.880 18.219 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.410 27.406 18.736 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.084 25.256 20.911 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.812 25.654 19.732 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.385 23.976 19.891 1.00 0.00 H new ATOM 926 N GLY A 59 11.352 23.782 15.701 1.00 0.00 N ATOM 927 CA GLY A 59 12.356 23.591 14.697 1.00 0.00 C ATOM 928 C GLY A 59 11.831 23.966 13.340 1.00 0.00 C ATOM 929 O GLY A 59 12.604 24.280 12.433 1.00 0.00 O ATOM 0 H GLY A 59 10.677 23.021 15.778 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.232 24.195 14.933 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.679 22.550 14.692 1.00 0.00 H new ATOM 933 N GLY A 60 10.510 23.948 13.191 1.00 0.00 N ATOM 934 CA GLY A 60 9.933 24.336 11.930 1.00 0.00 C ATOM 935 C GLY A 60 8.936 23.324 11.430 1.00 0.00 C ATOM 936 O GLY A 60 8.703 22.309 12.089 1.00 0.00 O ATOM 0 H GLY A 60 9.843 23.675 13.913 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.444 25.304 12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.725 24.460 11.192 1.00 0.00 H new ATOM 940 N PRO A 61 8.342 23.566 10.259 1.00 0.00 N ATOM 941 CA PRO A 61 7.290 22.720 9.733 1.00 0.00 C ATOM 942 C PRO A 61 7.841 21.423 9.182 1.00 0.00 C ATOM 943 O PRO A 61 9.011 21.327 8.805 1.00 0.00 O ATOM 944 CB PRO A 61 6.682 23.564 8.623 1.00 0.00 C ATOM 945 CG PRO A 61 7.819 24.374 8.132 1.00 0.00 C ATOM 946 CD PRO A 61 8.678 24.658 9.336 1.00 0.00 C ATOM 0 HA PRO A 61 6.569 22.426 10.496 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.263 22.942 7.832 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.874 24.193 8.996 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.382 23.835 7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.470 25.300 7.675 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.738 24.658 9.082 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.454 25.633 9.769 1.00 0.00 H new ATOM 954 N TRP A 62 6.983 20.444 9.116 1.00 0.00 N ATOM 955 CA TRP A 62 7.372 19.107 8.779 1.00 0.00 C ATOM 956 C TRP A 62 6.236 18.436 8.044 1.00 0.00 C ATOM 957 O TRP A 62 5.263 19.083 7.644 1.00 0.00 O ATOM 958 CB TRP A 62 7.696 18.336 10.063 1.00 0.00 C ATOM 959 CG TRP A 62 6.567 18.374 11.044 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.181 19.441 11.786 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.672 17.314 11.379 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.090 19.117 12.548 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.768 17.816 12.327 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.549 15.995 10.971 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.751 17.047 12.875 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.540 15.226 11.513 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.652 15.753 12.457 1.00 0.00 C ATOM 0 H TRP A 62 5.985 20.554 9.297 1.00 0.00 H new ATOM 0 HA TRP A 62 8.256 19.122 8.141 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.925 17.300 9.815 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.589 18.758 10.523 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.664 20.407 11.777 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.599 19.750 13.179 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.229 15.578 10.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.066 17.457 13.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.434 14.197 11.203 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.874 15.123 12.862 1.00 0.00 H new ATOM 978 N CYS A 63 6.378 17.152 7.865 1.00 0.00 N ATOM 979 CA CYS A 63 5.365 16.337 7.256 1.00 0.00 C ATOM 980 C CYS A 63 5.731 14.887 7.461 1.00 0.00 C ATOM 981 O CYS A 63 6.727 14.581 8.113 1.00 0.00 O ATOM 982 CB CYS A 63 5.238 16.659 5.769 1.00 0.00 C ATOM 983 SG CYS A 63 6.741 16.340 4.796 1.00 0.00 S ATOM 0 H CYS A 63 7.213 16.635 8.142 1.00 0.00 H new ATOM 0 HA CYS A 63 4.399 16.540 7.718 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.419 16.072 5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.966 17.709 5.660 1.00 0.00 H new ATOM 988 N TYR A 64 4.935 13.998 6.921 1.00 0.00 N ATOM 989 CA TYR A 64 5.293 12.599 6.886 1.00 0.00 C ATOM 990 C TYR A 64 5.815 12.321 5.501 1.00 0.00 C ATOM 991 O TYR A 64 5.363 12.948 4.557 1.00 0.00 O ATOM 992 CB TYR A 64 4.093 11.723 7.238 1.00 0.00 C ATOM 993 CG TYR A 64 3.749 11.783 8.710 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.489 11.060 9.633 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.694 12.556 9.178 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.192 11.099 10.979 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.389 12.604 10.527 1.00 0.00 C ATOM 998 CZ TYR A 64 3.143 11.872 11.421 1.00 0.00 C ATOM 999 OH TYR A 64 2.841 11.909 12.759 1.00 0.00 O ATOM 0 H TYR A 64 4.033 14.217 6.498 1.00 0.00 H new ATOM 0 HA TYR A 64 6.058 12.365 7.626 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.230 12.041 6.653 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.305 10.691 6.959 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.315 10.454 9.291 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.103 13.128 8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.779 10.526 11.682 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.567 13.210 10.877 1.00 0.00 H new ATOM 0 HH TYR A 64 3.343 12.633 13.188 1.00 0.00 H new ATOM 1009 N THR A 65 6.776 11.438 5.358 1.00 0.00 N ATOM 1010 CA THR A 65 7.427 11.309 4.070 1.00 0.00 C ATOM 1011 C THR A 65 6.859 10.120 3.331 1.00 0.00 C ATOM 1012 O THR A 65 6.477 9.131 3.948 1.00 0.00 O ATOM 1013 CB THR A 65 8.959 11.157 4.206 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.326 9.767 4.305 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.468 11.909 5.426 1.00 0.00 C ATOM 0 H THR A 65 7.118 10.815 6.090 1.00 0.00 H new ATOM 0 HA THR A 65 7.236 12.224 3.509 1.00 0.00 H new ATOM 0 HB THR A 65 9.418 11.581 3.313 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.258 9.476 5.238 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.549 11.789 5.503 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.227 12.967 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.994 11.511 6.323 1.00 0.00 H new ATOM 1023 N THR A 66 6.757 10.222 2.018 1.00 0.00 N ATOM 1024 CA THR A 66 6.382 9.075 1.214 1.00 0.00 C ATOM 1025 C THR A 66 7.577 8.129 1.013 1.00 0.00 C ATOM 1026 O THR A 66 7.569 7.274 0.123 1.00 0.00 O ATOM 1027 CB THR A 66 5.820 9.505 -0.158 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.790 10.285 -0.868 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.545 10.315 0.004 1.00 0.00 C ATOM 0 H THR A 66 6.927 11.079 1.491 1.00 0.00 H new ATOM 0 HA THR A 66 5.599 8.545 1.756 1.00 0.00 H new ATOM 0 HB THR A 66 5.592 8.601 -0.723 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.965 11.115 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.171 10.605 -0.978 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.794 9.713 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.754 11.209 0.591 1.00 0.00 H new ATOM 1037 N ASN A 67 8.597 8.280 1.858 1.00 0.00 N ATOM 1038 CA ASN A 67 9.816 7.486 1.766 1.00 0.00 C ATOM 1039 C ASN A 67 9.866 6.435 2.872 1.00 0.00 C ATOM 1040 O ASN A 67 9.835 6.761 4.057 1.00 0.00 O ATOM 1041 CB ASN A 67 11.032 8.418 1.833 1.00 0.00 C ATOM 1042 CG ASN A 67 12.359 7.699 2.006 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.499 6.518 1.693 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.353 8.427 2.492 1.00 0.00 N ATOM 0 H ASN A 67 8.599 8.955 2.623 1.00 0.00 H new ATOM 0 HA ASN A 67 9.828 6.955 0.814 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.070 9.013 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.898 9.113 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.276 8.011 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.196 9.404 2.740 1.00 0.00 H new ATOM 1051 N PRO A 68 9.938 5.146 2.493 1.00 0.00 N ATOM 1052 CA PRO A 68 9.949 4.022 3.444 1.00 0.00 C ATOM 1053 C PRO A 68 11.194 3.969 4.334 1.00 0.00 C ATOM 1054 O PRO A 68 11.366 3.031 5.114 1.00 0.00 O ATOM 1055 CB PRO A 68 9.879 2.778 2.547 1.00 0.00 C ATOM 1056 CG PRO A 68 9.443 3.278 1.212 1.00 0.00 C ATOM 1057 CD PRO A 68 9.981 4.672 1.101 1.00 0.00 C ATOM 0 HA PRO A 68 9.123 4.111 4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.848 2.284 2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.174 2.047 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.829 2.645 0.413 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.356 3.271 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.994 4.684 0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.370 5.291 0.443 1.00 0.00 H new ATOM 1065 N ARG A 69 12.052 4.969 4.227 1.00 0.00 N ATOM 1066 CA ARG A 69 13.193 5.088 5.117 1.00 0.00 C ATOM 1067 C ARG A 69 12.796 5.729 6.438 1.00 0.00 C ATOM 1068 O ARG A 69 13.211 5.276 7.504 1.00 0.00 O ATOM 1069 CB ARG A 69 14.263 5.931 4.448 1.00 0.00 C ATOM 1070 CG ARG A 69 15.057 5.184 3.397 1.00 0.00 C ATOM 1071 CD ARG A 69 16.038 4.214 4.037 1.00 0.00 C ATOM 1072 NE ARG A 69 16.946 4.904 4.960 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.809 4.295 5.773 1.00 0.00 C ATOM 1074 NH1 ARG A 69 17.908 2.972 5.788 1.00 0.00 N ATOM 1075 NH2 ARG A 69 18.564 5.021 6.585 1.00 0.00 N ATOM 0 H ARG A 69 11.979 5.711 3.531 1.00 0.00 H new ATOM 0 HA ARG A 69 13.575 4.088 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.793 6.800 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.947 6.306 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.377 4.639 2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.599 5.895 2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.489 3.440 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.617 3.714 3.261 1.00 0.00 H new ATOM 0 HE ARG A 69 16.915 5.923 4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.320 2.410 5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.572 2.517 6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.482 6.038 6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.227 4.563 7.210 1.00 0.00 H new ATOM 1089 N LYS A 70 11.986 6.779 6.368 1.00 0.00 N ATOM 1090 CA LYS A 70 11.599 7.518 7.562 1.00 0.00 C ATOM 1091 C LYS A 70 10.103 7.804 7.568 1.00 0.00 C ATOM 1092 O LYS A 70 9.457 7.862 6.519 1.00 0.00 O ATOM 1093 CB LYS A 70 12.371 8.834 7.636 1.00 0.00 C ATOM 1094 CG LYS A 70 11.997 9.802 6.532 1.00 0.00 C ATOM 1095 CD LYS A 70 13.221 10.321 5.814 1.00 0.00 C ATOM 1096 CE LYS A 70 14.011 11.295 6.673 1.00 0.00 C ATOM 1097 NZ LYS A 70 15.232 11.781 5.979 1.00 0.00 N ATOM 0 H LYS A 70 11.586 7.136 5.500 1.00 0.00 H new ATOM 0 HA LYS A 70 11.838 6.905 8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.186 9.304 8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.440 8.626 7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.338 9.306 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.439 10.638 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.860 9.484 5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.918 10.814 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.379 12.144 6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.293 10.809 7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.743 12.443 6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.847 10.974 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.962 12.267 5.100 1.00 0.00 H new ATOM 1111 N LEU A 71 9.574 8.015 8.758 1.00 0.00 N ATOM 1112 CA LEU A 71 8.151 8.252 8.946 1.00 0.00 C ATOM 1113 C LEU A 71 7.834 9.709 8.694 1.00 0.00 C ATOM 1114 O LEU A 71 6.887 10.035 7.980 1.00 0.00 O ATOM 1115 CB LEU A 71 7.727 7.853 10.367 1.00 0.00 C ATOM 1116 CG LEU A 71 6.255 8.097 10.716 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.352 7.134 9.965 1.00 0.00 C ATOM 1118 CD2 LEU A 71 6.037 7.978 12.216 1.00 0.00 C ATOM 0 H LEU A 71 10.116 8.027 9.622 1.00 0.00 H new ATOM 0 HA LEU A 71 7.595 7.641 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.943 6.794 10.507 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.345 8.401 11.078 1.00 0.00 H new ATOM 0 HG LEU A 71 5.996 9.110 10.409 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.313 7.328 10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.485 7.273 8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.610 6.109 10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.986 8.154 12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.318 6.978 12.546 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.650 8.716 12.733 1.00 0.00 H new ATOM 1130 N TYR A 72 8.655 10.581 9.243 1.00 0.00 N ATOM 1131 CA TYR A 72 8.445 12.000 9.085 1.00 0.00 C ATOM 1132 C TYR A 72 9.780 12.712 8.965 1.00 0.00 C ATOM 1133 O TYR A 72 10.831 12.147 9.267 1.00 0.00 O ATOM 1134 CB TYR A 72 7.633 12.575 10.257 1.00 0.00 C ATOM 1135 CG TYR A 72 8.399 12.724 11.553 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.439 11.699 12.488 1.00 0.00 C ATOM 1137 CD2 TYR A 72 9.074 13.904 11.844 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.133 11.845 13.674 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.768 14.057 13.024 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.796 13.026 13.937 1.00 0.00 C ATOM 1141 OH TYR A 72 10.490 13.175 15.118 1.00 0.00 O ATOM 0 H TYR A 72 9.471 10.330 9.801 1.00 0.00 H new ATOM 0 HA TYR A 72 7.872 12.161 8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.246 13.552 9.967 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.772 11.931 10.433 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.920 10.774 12.286 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.054 14.716 11.132 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.156 11.038 14.392 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.288 14.981 13.232 1.00 0.00 H new ATOM 0 HH TYR A 72 10.900 14.064 15.146 1.00 0.00 H new ATOM 1151 N ASP A 73 9.713 13.942 8.512 1.00 0.00 N ATOM 1152 CA ASP A 73 10.888 14.788 8.336 1.00 0.00 C ATOM 1153 C ASP A 73 10.425 16.233 8.271 1.00 0.00 C ATOM 1154 O ASP A 73 9.231 16.487 8.163 1.00 0.00 O ATOM 1155 CB ASP A 73 11.642 14.393 7.057 1.00 0.00 C ATOM 1156 CG ASP A 73 12.947 15.143 6.851 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.559 15.574 7.852 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.373 15.289 5.684 1.00 0.00 O ATOM 0 H ASP A 73 8.837 14.395 8.251 1.00 0.00 H new ATOM 0 HA ASP A 73 11.575 14.661 9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.851 13.324 7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.995 14.568 6.198 1.00 0.00 H new ATOM 1163 N TYR A 74 11.351 17.166 8.329 1.00 0.00 N ATOM 1164 CA TYR A 74 11.001 18.583 8.327 1.00 0.00 C ATOM 1165 C TYR A 74 11.024 19.098 6.905 1.00 0.00 C ATOM 1166 O TYR A 74 11.698 18.531 6.064 1.00 0.00 O ATOM 1167 CB TYR A 74 11.988 19.389 9.172 1.00 0.00 C ATOM 1168 CG TYR A 74 11.924 19.097 10.660 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.520 17.957 11.182 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.282 19.966 11.544 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.481 17.686 12.535 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.239 19.696 12.900 1.00 0.00 C ATOM 1173 CZ TYR A 74 11.839 18.557 13.389 1.00 0.00 C ATOM 1174 OH TYR A 74 11.810 18.291 14.740 1.00 0.00 O ATOM 0 H TYR A 74 12.352 16.976 8.378 1.00 0.00 H new ATOM 0 HA TYR A 74 10.005 18.697 8.754 1.00 0.00 H new ATOM 0 HB2 TYR A 74 12.999 19.188 8.818 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.800 20.451 9.014 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.023 17.270 10.518 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.812 20.861 11.164 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.952 16.795 12.923 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.737 20.376 13.572 1.00 0.00 H new ATOM 0 HH TYR A 74 11.682 19.127 15.235 1.00 0.00 H new ATOM 1184 N CYS A 75 10.289 20.166 6.638 1.00 0.00 N ATOM 1185 CA CYS A 75 10.228 20.728 5.295 1.00 0.00 C ATOM 1186 C CYS A 75 11.052 21.996 5.196 1.00 0.00 C ATOM 1187 O CYS A 75 11.472 22.563 6.205 1.00 0.00 O ATOM 1188 CB CYS A 75 8.788 21.019 4.893 1.00 0.00 C ATOM 1189 SG CYS A 75 7.748 19.543 4.773 1.00 0.00 S ATOM 0 H CYS A 75 9.727 20.661 7.330 1.00 0.00 H new ATOM 0 HA CYS A 75 10.643 19.987 4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.349 21.703 5.620 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.786 21.532 3.931 1.00 0.00 H new ATOM 1194 N ASP A 76 11.256 22.446 3.971 1.00 0.00 N ATOM 1195 CA ASP A 76 12.110 23.590 3.703 1.00 0.00 C ATOM 1196 C ASP A 76 11.292 24.740 3.123 1.00 0.00 C ATOM 1197 O ASP A 76 11.463 25.126 1.964 1.00 0.00 O ATOM 1198 CB ASP A 76 13.231 23.182 2.742 1.00 0.00 C ATOM 1199 CG ASP A 76 14.299 24.247 2.593 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.756 24.796 3.618 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.711 24.516 1.448 1.00 0.00 O ATOM 0 H ASP A 76 10.837 22.032 3.138 1.00 0.00 H new ATOM 0 HA ASP A 76 12.555 23.931 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.691 22.261 3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.802 22.965 1.763 1.00 0.00 H new ATOM 1206 N VAL A 77 10.373 25.258 3.927 1.00 0.00 N ATOM 1207 CA VAL A 77 9.568 26.399 3.531 1.00 0.00 C ATOM 1208 C VAL A 77 10.053 27.663 4.231 1.00 0.00 C ATOM 1209 O VAL A 77 10.267 27.679 5.444 1.00 0.00 O ATOM 1210 CB VAL A 77 8.060 26.174 3.800 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.799 25.705 5.213 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.262 27.429 3.504 1.00 0.00 C ATOM 0 H VAL A 77 10.168 24.902 4.861 1.00 0.00 H new ATOM 0 HA VAL A 77 9.688 26.520 2.454 1.00 0.00 H new ATOM 0 HB VAL A 77 7.732 25.384 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.728 25.560 5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.319 24.763 5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.161 26.454 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.206 27.244 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.613 28.242 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.393 27.705 2.458 1.00 0.00 H new ATOM 1222 N PRO A 78 10.252 28.724 3.445 1.00 0.00 N ATOM 1223 CA PRO A 78 10.770 30.010 3.924 1.00 0.00 C ATOM 1224 C PRO A 78 9.888 30.671 4.957 1.00 0.00 C ATOM 1225 O PRO A 78 8.679 30.444 5.021 1.00 0.00 O ATOM 1226 CB PRO A 78 10.819 30.872 2.655 1.00 0.00 C ATOM 1227 CG PRO A 78 9.886 30.205 1.699 1.00 0.00 C ATOM 1228 CD PRO A 78 9.994 28.746 1.999 1.00 0.00 C ATOM 0 HA PRO A 78 11.731 29.880 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.507 31.896 2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.830 30.922 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.864 30.560 1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.163 30.416 0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.078 28.213 1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.802 28.277 1.438 1.00 0.00 H new ATOM 1236 N GLN A 79 10.523 31.495 5.758 1.00 0.00 N ATOM 1237 CA GLN A 79 9.852 32.232 6.793 1.00 0.00 C ATOM 1238 C GLN A 79 9.072 33.390 6.194 1.00 0.00 C ATOM 1239 O GLN A 79 9.646 34.368 5.719 1.00 0.00 O ATOM 1240 CB GLN A 79 10.861 32.745 7.813 1.00 0.00 C ATOM 1241 CG GLN A 79 10.208 33.501 8.938 1.00 0.00 C ATOM 1242 CD GLN A 79 9.215 32.651 9.686 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.185 33.148 10.122 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.520 31.362 9.832 1.00 0.00 N ATOM 0 H GLN A 79 11.526 31.671 5.706 1.00 0.00 H new ATOM 0 HA GLN A 79 9.152 31.566 7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.420 31.903 8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.581 33.393 7.313 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.973 33.857 9.628 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.704 34.381 8.539 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.392 30.998 9.449 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.881 30.740 10.327 1.00 0.00 H new ATOM 1253 N CYS A 80 7.763 33.263 6.222 1.00 0.00 N ATOM 1254 CA CYS A 80 6.890 34.290 5.709 1.00 0.00 C ATOM 1255 C CYS A 80 6.892 35.473 6.662 1.00 0.00 C ATOM 1256 O CYS A 80 6.974 36.629 6.247 1.00 0.00 O ATOM 1257 CB CYS A 80 5.469 33.752 5.551 1.00 0.00 C ATOM 1258 SG CYS A 80 4.618 34.337 4.053 1.00 0.00 S ATOM 0 H CYS A 80 7.278 32.449 6.599 1.00 0.00 H new ATOM 0 HA CYS A 80 7.250 34.608 4.730 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.504 32.663 5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.884 34.039 6.424 1.00 0.00 H new ATOM 1263 N ALA A 81 6.825 35.166 7.951 1.00 0.00 N ATOM 1264 CA ALA A 81 6.803 36.200 8.979 1.00 0.00 C ATOM 1265 C ALA A 81 8.155 36.309 9.674 1.00 0.00 C ATOM 1266 O ALA A 81 8.293 35.966 10.849 1.00 0.00 O ATOM 1267 CB ALA A 81 5.709 35.920 9.998 1.00 0.00 C ATOM 0 H ALA A 81 6.785 34.212 8.310 1.00 0.00 H new ATOM 0 HA ALA A 81 6.591 37.152 8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.709 36.703 10.756 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.741 35.901 9.497 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.891 34.956 10.472 1.00 0.00 H new