USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 617 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 33 THR OG1 : rot -84:sc= 2.26 USER MOD Set 1.2: A 35 THR OG1 : rot -47:sc= 0.619 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.368 K(o=0.86,f=-0.85!) USER MOD Set 2.2: A 17 THR OG1 : rot 54:sc= 1.23 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -138:sc= -0.304 USER MOD Single : A 26 SER OG : rot 23:sc= 0.813 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 65 GLN : amide:sc= -0.857 X(o=-0.86,f=-0.62) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0.143 (180deg=0.139) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00312) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.541 -12.083 0.520 1.00 0.00 N ATOM 67 CA PHE A 8 2.044 -10.745 0.827 1.00 0.00 C ATOM 68 C PHE A 8 0.937 -9.694 0.958 1.00 0.00 C ATOM 69 O PHE A 8 0.906 -8.963 1.950 1.00 0.00 O ATOM 70 CB PHE A 8 3.046 -10.320 -0.248 1.00 0.00 C ATOM 71 CG PHE A 8 3.510 -8.886 -0.100 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.306 -8.511 0.996 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.097 -7.910 -1.026 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.703 -7.174 1.142 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.542 -6.586 -0.907 1.00 0.00 C ATOM 76 CZ PHE A 8 4.342 -6.218 0.183 1.00 0.00 C ATOM 0 HA PHE A 8 2.529 -10.802 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.912 -10.981 -0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.591 -10.448 -1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.611 -9.250 1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.433 -8.183 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.291 -6.879 1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.270 -5.853 -1.652 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.680 -5.197 0.284 1.00 0.00 H new ATOM 86 N LYS A 9 0.029 -9.608 -0.024 1.00 0.00 N ATOM 87 CA LYS A 9 -0.987 -8.558 -0.052 1.00 0.00 C ATOM 88 C LYS A 9 -1.862 -8.620 1.193 1.00 0.00 C ATOM 89 O LYS A 9 -2.316 -7.575 1.629 1.00 0.00 O ATOM 90 CB LYS A 9 -1.817 -8.633 -1.356 1.00 0.00 C ATOM 91 CG LYS A 9 -2.761 -7.432 -1.586 1.00 0.00 C ATOM 92 CD LYS A 9 -3.718 -7.562 -2.789 1.00 0.00 C ATOM 93 CE LYS A 9 -3.011 -7.538 -4.153 1.00 0.00 C ATOM 94 NZ LYS A 9 -3.923 -7.842 -5.282 1.00 0.00 N ATOM 0 H LYS A 9 -0.019 -10.257 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.488 -7.589 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.134 -8.709 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.410 -9.547 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.356 -7.282 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.155 -6.536 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.277 -8.493 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.444 -6.750 -2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.565 -6.556 -4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.196 -8.261 -4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.392 -7.811 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.330 -8.790 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.688 -7.138 -5.310 1.00 0.00 H new ATOM 108 N ALA A 10 -2.096 -9.799 1.783 1.00 0.00 N ATOM 109 CA ALA A 10 -2.908 -9.917 2.985 1.00 0.00 C ATOM 110 C ALA A 10 -2.267 -9.171 4.141 1.00 0.00 C ATOM 111 O ALA A 10 -2.878 -8.262 4.688 1.00 0.00 O ATOM 112 CB ALA A 10 -3.151 -11.388 3.330 1.00 0.00 C ATOM 0 H ALA A 10 -1.728 -10.686 1.439 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.878 -9.458 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.760 -11.454 4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.671 -11.874 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.196 -11.884 3.500 1.00 0.00 H new ATOM 118 N GLU A 11 -1.042 -9.538 4.509 1.00 0.00 N ATOM 119 CA GLU A 11 -0.354 -8.912 5.634 1.00 0.00 C ATOM 120 C GLU A 11 -0.257 -7.412 5.426 1.00 0.00 C ATOM 121 O GLU A 11 -0.505 -6.649 6.355 1.00 0.00 O ATOM 122 CB GLU A 11 1.058 -9.473 5.740 1.00 0.00 C ATOM 123 CG GLU A 11 1.100 -10.845 6.389 1.00 0.00 C ATOM 124 CD GLU A 11 1.397 -10.771 7.880 1.00 0.00 C ATOM 125 OE1 GLU A 11 2.585 -10.565 8.225 1.00 0.00 O ATOM 126 OE2 GLU A 11 0.481 -10.995 8.698 1.00 0.00 O ATOM 0 H GLU A 11 -0.504 -10.268 4.042 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.918 -9.120 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.495 -9.534 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.675 -8.784 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.144 -11.346 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.861 -11.453 5.899 1.00 0.00 H new ATOM 133 N LEU A 12 0.116 -7.003 4.212 1.00 0.00 N ATOM 134 CA LEU A 12 0.303 -5.602 3.897 1.00 0.00 C ATOM 135 C LEU A 12 -1.034 -4.854 3.960 1.00 0.00 C ATOM 136 O LEU A 12 -1.066 -3.740 4.470 1.00 0.00 O ATOM 137 CB LEU A 12 0.973 -5.481 2.526 1.00 0.00 C ATOM 138 CG LEU A 12 1.546 -4.064 2.314 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.840 -3.844 3.103 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.829 -3.842 0.835 1.00 0.00 C ATOM 0 H LEU A 12 0.294 -7.635 3.431 1.00 0.00 H new ATOM 0 HA LEU A 12 0.956 -5.138 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.773 -6.217 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.249 -5.706 1.742 1.00 0.00 H new ATOM 0 HG LEU A 12 0.801 -3.354 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.208 -2.834 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.644 -3.976 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.590 -4.566 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.234 -2.841 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.552 -4.580 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.904 -3.946 0.268 1.00 0.00 H new ATOM 152 N ASN A 13 -2.135 -5.453 3.494 1.00 0.00 N ATOM 153 CA ASN A 13 -3.474 -4.876 3.595 1.00 0.00 C ATOM 154 C ASN A 13 -3.825 -4.698 5.061 1.00 0.00 C ATOM 155 O ASN A 13 -4.159 -3.591 5.472 1.00 0.00 O ATOM 156 CB ASN A 13 -4.504 -5.765 2.883 1.00 0.00 C ATOM 157 CG ASN A 13 -5.894 -5.152 2.866 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.491 -4.913 3.905 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.501 -4.940 1.708 1.00 0.00 N ATOM 0 H ASN A 13 -2.118 -6.362 3.032 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.490 -3.903 3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.177 -5.944 1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.545 -6.735 3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.456 -4.581 1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.014 -5.135 0.833 1.00 0.00 H new ATOM 166 N GLU A 14 -3.713 -5.750 5.869 1.00 0.00 N ATOM 167 CA GLU A 14 -4.067 -5.683 7.282 1.00 0.00 C ATOM 168 C GLU A 14 -3.144 -4.711 8.054 1.00 0.00 C ATOM 169 O GLU A 14 -3.560 -4.089 9.035 1.00 0.00 O ATOM 170 CB GLU A 14 -4.024 -7.096 7.896 1.00 0.00 C ATOM 171 CG GLU A 14 -4.885 -8.213 7.263 1.00 0.00 C ATOM 172 CD GLU A 14 -6.094 -7.753 6.440 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.929 -6.991 6.977 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.248 -8.224 5.286 1.00 0.00 O ATOM 0 H GLU A 14 -3.377 -6.664 5.565 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.081 -5.292 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.987 -7.431 7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.315 -7.009 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.244 -8.817 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.242 -8.864 8.061 1.00 0.00 H new ATOM 181 N PHE A 15 -1.885 -4.561 7.626 1.00 0.00 N ATOM 182 CA PHE A 15 -0.923 -3.593 8.152 1.00 0.00 C ATOM 183 C PHE A 15 -1.386 -2.162 7.841 1.00 0.00 C ATOM 184 O PHE A 15 -1.458 -1.325 8.743 1.00 0.00 O ATOM 185 CB PHE A 15 0.478 -3.910 7.588 1.00 0.00 C ATOM 186 CG PHE A 15 1.532 -2.829 7.741 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.307 -2.734 8.912 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.736 -1.905 6.698 1.00 0.00 C ATOM 189 CE1 PHE A 15 3.235 -1.686 9.057 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.647 -0.846 6.849 1.00 0.00 C ATOM 191 CZ PHE A 15 3.387 -0.731 8.036 1.00 0.00 C ATOM 0 H PHE A 15 -1.497 -5.133 6.876 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.863 -3.668 9.238 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.844 -4.814 8.074 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.375 -4.138 6.527 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.190 -3.465 9.699 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.187 -2.011 5.774 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.832 -1.615 9.954 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.777 -0.124 6.056 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.074 0.092 8.165 1.00 0.00 H new ATOM 201 N LEU A 16 -1.696 -1.873 6.575 1.00 0.00 N ATOM 202 CA LEU A 16 -2.135 -0.558 6.107 1.00 0.00 C ATOM 203 C LEU A 16 -3.521 -0.196 6.627 1.00 0.00 C ATOM 204 O LEU A 16 -3.769 0.979 6.876 1.00 0.00 O ATOM 205 CB LEU A 16 -2.216 -0.566 4.577 1.00 0.00 C ATOM 206 CG LEU A 16 -0.860 -0.582 3.864 1.00 0.00 C ATOM 207 CD1 LEU A 16 -1.059 -1.053 2.423 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.187 0.794 3.917 1.00 0.00 C ATOM 0 H LEU A 16 -1.647 -2.566 5.828 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.412 0.170 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.787 -1.439 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.772 0.313 4.252 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.194 -1.276 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.098 -1.067 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.485 -2.056 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.736 -0.372 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.773 0.750 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.826 1.531 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.029 1.082 4.956 1.00 0.00 H new ATOM 220 N THR A 17 -4.408 -1.179 6.811 1.00 0.00 N ATOM 221 CA THR A 17 -5.746 -0.985 7.359 1.00 0.00 C ATOM 222 C THR A 17 -5.625 -0.195 8.659 1.00 0.00 C ATOM 223 O THR A 17 -6.285 0.827 8.821 1.00 0.00 O ATOM 224 CB THR A 17 -6.445 -2.347 7.560 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.610 -3.041 6.337 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.852 -2.212 8.138 1.00 0.00 C ATOM 0 H THR A 17 -4.207 -2.151 6.577 1.00 0.00 H new ATOM 0 HA THR A 17 -6.367 -0.417 6.666 1.00 0.00 H new ATOM 0 HB THR A 17 -5.791 -2.884 8.248 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.744 -3.115 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.293 -3.202 8.257 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.801 -1.719 9.109 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.468 -1.619 7.462 1.00 0.00 H new ATOM 234 N ARG A 18 -4.737 -0.634 9.550 1.00 0.00 N ATOM 235 CA ARG A 18 -4.407 0.040 10.783 1.00 0.00 C ATOM 236 C ARG A 18 -3.821 1.424 10.491 1.00 0.00 C ATOM 237 O ARG A 18 -4.348 2.420 10.983 1.00 0.00 O ATOM 238 CB ARG A 18 -3.491 -0.922 11.561 1.00 0.00 C ATOM 239 CG ARG A 18 -2.534 -0.232 12.519 1.00 0.00 C ATOM 240 CD ARG A 18 -1.789 -1.263 13.359 1.00 0.00 C ATOM 241 NE ARG A 18 -0.886 -0.599 14.304 1.00 0.00 N ATOM 242 CZ ARG A 18 -0.823 -0.804 15.620 1.00 0.00 C ATOM 243 NH1 ARG A 18 -1.460 -1.833 16.175 1.00 0.00 N ATOM 244 NH2 ARG A 18 -0.129 0.049 16.357 1.00 0.00 N ATOM 0 H ARG A 18 -4.215 -1.500 9.419 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.274 0.257 11.407 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.110 -1.620 12.124 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.913 -1.511 10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.822 0.373 11.959 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.086 0.446 13.169 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.503 -1.882 13.903 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.220 -1.928 12.709 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.241 0.089 13.916 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.001 -2.472 15.593 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.407 -1.983 17.183 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.341 0.839 15.916 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.064 -0.084 17.366 1.00 0.00 H new ATOM 258 N GLU A 19 -2.730 1.494 9.723 1.00 0.00 N ATOM 259 CA GLU A 19 -1.923 2.710 9.588 1.00 0.00 C ATOM 260 C GLU A 19 -2.613 3.854 8.828 1.00 0.00 C ATOM 261 O GLU A 19 -2.130 4.989 8.877 1.00 0.00 O ATOM 262 CB GLU A 19 -0.564 2.351 8.948 1.00 0.00 C ATOM 263 CG GLU A 19 0.526 2.068 9.996 1.00 0.00 C ATOM 264 CD GLU A 19 0.797 3.233 10.956 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.367 4.275 10.549 1.00 0.00 O ATOM 266 OE2 GLU A 19 0.403 3.130 12.138 1.00 0.00 O ATOM 0 H GLU A 19 -2.381 0.707 9.176 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.776 3.102 10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.687 1.475 8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.241 3.170 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.236 1.193 10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.452 1.815 9.480 1.00 0.00 H new ATOM 273 N LEU A 20 -3.713 3.590 8.117 1.00 0.00 N ATOM 274 CA LEU A 20 -4.389 4.567 7.265 1.00 0.00 C ATOM 275 C LEU A 20 -5.909 4.554 7.464 1.00 0.00 C ATOM 276 O LEU A 20 -6.646 5.042 6.602 1.00 0.00 O ATOM 277 CB LEU A 20 -4.011 4.290 5.803 1.00 0.00 C ATOM 278 CG LEU A 20 -2.523 4.496 5.473 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.307 3.931 4.072 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.102 5.974 5.505 1.00 0.00 C ATOM 0 H LEU A 20 -4.165 2.675 8.119 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.059 5.567 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.284 3.263 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.605 4.939 5.159 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.915 3.992 6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.262 4.053 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.565 2.872 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.940 4.464 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.042 6.056 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.685 6.534 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.280 6.382 6.500 1.00 0.00 H new ATOM 292 N ALA A 21 -6.397 4.006 8.578 1.00 0.00 N ATOM 293 CA ALA A 21 -7.818 3.955 8.890 1.00 0.00 C ATOM 294 C ALA A 21 -8.446 5.341 8.798 1.00 0.00 C ATOM 295 O ALA A 21 -9.373 5.567 8.016 1.00 0.00 O ATOM 296 CB ALA A 21 -8.032 3.370 10.288 1.00 0.00 C ATOM 0 H ALA A 21 -5.807 3.582 9.294 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.305 3.311 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.099 3.337 10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.622 2.361 10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.528 3.995 11.025 1.00 0.00 H new ATOM 302 N GLU A 22 -7.916 6.275 9.585 1.00 0.00 N ATOM 303 CA GLU A 22 -8.421 7.638 9.691 1.00 0.00 C ATOM 304 C GLU A 22 -8.222 8.393 8.370 1.00 0.00 C ATOM 305 O GLU A 22 -8.992 9.300 8.038 1.00 0.00 O ATOM 306 CB GLU A 22 -7.678 8.356 10.822 1.00 0.00 C ATOM 307 CG GLU A 22 -7.777 7.658 12.189 1.00 0.00 C ATOM 308 CD GLU A 22 -9.144 7.816 12.855 1.00 0.00 C ATOM 309 OE1 GLU A 22 -10.159 7.270 12.361 1.00 0.00 O ATOM 310 OE2 GLU A 22 -9.180 8.469 13.928 1.00 0.00 O ATOM 0 H GLU A 22 -7.106 6.099 10.179 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.489 7.610 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.627 8.447 10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.072 9.368 10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.563 6.597 12.063 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.010 8.061 12.851 1.00 0.00 H new ATOM 317 N ASP A 23 -7.202 7.995 7.602 1.00 0.00 N ATOM 318 CA ASP A 23 -6.882 8.540 6.290 1.00 0.00 C ATOM 319 C ASP A 23 -7.906 8.135 5.233 1.00 0.00 C ATOM 320 O ASP A 23 -7.924 8.738 4.159 1.00 0.00 O ATOM 321 CB ASP A 23 -5.492 8.082 5.810 1.00 0.00 C ATOM 322 CG ASP A 23 -4.406 9.113 6.135 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.085 9.396 7.311 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.916 9.721 5.156 1.00 0.00 O ATOM 0 H ASP A 23 -6.558 7.259 7.892 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.896 9.623 6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.241 7.131 6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.518 7.910 4.734 1.00 0.00 H new ATOM 329 N GLY A 24 -8.744 7.128 5.488 1.00 0.00 N ATOM 330 CA GLY A 24 -9.686 6.664 4.490 1.00 0.00 C ATOM 331 C GLY A 24 -9.094 5.600 3.581 1.00 0.00 C ATOM 332 O GLY A 24 -9.335 5.664 2.373 1.00 0.00 O ATOM 0 H GLY A 24 -8.783 6.626 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.569 6.262 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.017 7.509 3.887 1.00 0.00 H new ATOM 336 N TYR A 25 -8.336 4.640 4.127 1.00 0.00 N ATOM 337 CA TYR A 25 -7.915 3.423 3.444 1.00 0.00 C ATOM 338 C TYR A 25 -9.110 2.668 2.846 1.00 0.00 C ATOM 339 O TYR A 25 -10.276 2.966 3.132 1.00 0.00 O ATOM 340 CB TYR A 25 -7.142 2.549 4.445 1.00 0.00 C ATOM 341 CG TYR A 25 -6.464 1.332 3.853 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.367 1.508 2.991 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.924 0.035 4.155 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.727 0.390 2.425 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.271 -1.087 3.610 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.182 -0.906 2.741 1.00 0.00 C ATOM 347 OH TYR A 25 -4.577 -1.985 2.192 1.00 0.00 O ATOM 0 H TYR A 25 -7.992 4.696 5.085 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.267 3.682 2.606 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.386 3.165 4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.832 2.218 5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.015 2.503 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.777 -0.098 4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.892 0.524 1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.606 -2.083 3.859 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.256 -2.638 1.921 1.00 0.00 H new ATOM 357 N SER A 26 -8.827 1.694 1.986 1.00 0.00 N ATOM 358 CA SER A 26 -9.812 0.842 1.350 1.00 0.00 C ATOM 359 C SER A 26 -9.202 -0.506 0.967 1.00 0.00 C ATOM 360 O SER A 26 -9.817 -1.549 1.222 1.00 0.00 O ATOM 361 CB SER A 26 -10.363 1.606 0.144 1.00 0.00 C ATOM 362 OG SER A 26 -11.351 2.524 0.595 1.00 0.00 O ATOM 0 H SER A 26 -7.871 1.473 1.707 1.00 0.00 H new ATOM 0 HA SER A 26 -10.629 0.609 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.559 2.137 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.794 0.912 -0.578 1.00 0.00 H new ATOM 0 HG SER A 26 -11.205 2.721 1.544 1.00 0.00 H new ATOM 368 N GLY A 27 -7.990 -0.514 0.411 1.00 0.00 N ATOM 369 CA GLY A 27 -7.332 -1.727 -0.038 1.00 0.00 C ATOM 370 C GLY A 27 -5.954 -1.403 -0.591 1.00 0.00 C ATOM 371 O GLY A 27 -5.414 -0.320 -0.365 1.00 0.00 O ATOM 0 H GLY A 27 -7.439 0.331 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.243 -2.429 0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.934 -2.214 -0.805 1.00 0.00 H new ATOM 375 N VAL A 28 -5.344 -2.346 -1.290 1.00 0.00 N ATOM 376 CA VAL A 28 -3.992 -2.229 -1.801 1.00 0.00 C ATOM 377 C VAL A 28 -3.892 -3.049 -3.092 1.00 0.00 C ATOM 378 O VAL A 28 -4.674 -3.978 -3.319 1.00 0.00 O ATOM 379 CB VAL A 28 -3.023 -2.683 -0.684 1.00 0.00 C ATOM 380 CG1 VAL A 28 -3.403 -4.019 -0.030 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.577 -2.828 -1.141 1.00 0.00 C ATOM 0 H VAL A 28 -5.788 -3.235 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.721 -1.206 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.114 -1.870 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.674 -4.266 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.393 -3.936 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.412 -4.805 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.961 -3.149 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.520 -3.570 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.215 -1.869 -1.511 1.00 0.00 H new ATOM 391 N GLU A 29 -2.897 -2.739 -3.918 1.00 0.00 N ATOM 392 CA GLU A 29 -2.366 -3.634 -4.928 1.00 0.00 C ATOM 393 C GLU A 29 -0.849 -3.732 -4.775 1.00 0.00 C ATOM 394 O GLU A 29 -0.208 -2.929 -4.092 1.00 0.00 O ATOM 395 CB GLU A 29 -2.740 -3.172 -6.336 1.00 0.00 C ATOM 396 CG GLU A 29 -4.237 -3.299 -6.596 1.00 0.00 C ATOM 397 CD GLU A 29 -4.647 -2.786 -7.976 1.00 0.00 C ATOM 398 OE1 GLU A 29 -3.782 -2.444 -8.813 1.00 0.00 O ATOM 399 OE2 GLU A 29 -5.864 -2.827 -8.269 1.00 0.00 O ATOM 0 H GLU A 29 -2.429 -1.833 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.807 -4.621 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.435 -2.134 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.192 -3.763 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.530 -4.345 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.782 -2.745 -5.831 1.00 0.00 H new ATOM 406 N VAL A 30 -0.302 -4.755 -5.417 1.00 0.00 N ATOM 407 CA VAL A 30 1.109 -5.037 -5.570 1.00 0.00 C ATOM 408 C VAL A 30 1.344 -5.614 -6.961 1.00 0.00 C ATOM 409 O VAL A 30 0.504 -6.368 -7.476 1.00 0.00 O ATOM 410 CB VAL A 30 1.533 -6.012 -4.461 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.678 -7.293 -4.375 1.00 0.00 C ATOM 412 CG2 VAL A 30 3.021 -6.394 -4.515 1.00 0.00 C ATOM 0 H VAL A 30 -0.880 -5.458 -5.877 1.00 0.00 H new ATOM 0 HA VAL A 30 1.711 -4.133 -5.476 1.00 0.00 H new ATOM 0 HB VAL A 30 1.355 -5.436 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.047 -7.923 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.361 -7.025 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.742 -7.837 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.249 -7.084 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.240 -6.872 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.631 -5.497 -4.410 1.00 0.00 H new ATOM 422 N ARG A 31 2.523 -5.339 -7.519 1.00 0.00 N ATOM 423 CA ARG A 31 3.047 -6.036 -8.683 1.00 0.00 C ATOM 424 C ARG A 31 4.394 -6.624 -8.295 1.00 0.00 C ATOM 425 O ARG A 31 5.291 -5.905 -7.859 1.00 0.00 O ATOM 426 CB ARG A 31 3.218 -5.082 -9.877 1.00 0.00 C ATOM 427 CG ARG A 31 1.895 -4.555 -10.458 1.00 0.00 C ATOM 428 CD ARG A 31 1.995 -3.046 -10.697 1.00 0.00 C ATOM 429 NE ARG A 31 0.759 -2.488 -11.268 1.00 0.00 N ATOM 430 CZ ARG A 31 0.701 -1.312 -11.906 1.00 0.00 C ATOM 431 NH1 ARG A 31 1.765 -0.516 -12.000 1.00 0.00 N ATOM 432 NH2 ARG A 31 -0.436 -0.926 -12.464 1.00 0.00 N ATOM 0 H ARG A 31 3.147 -4.614 -7.166 1.00 0.00 H new ATOM 0 HA ARG A 31 2.350 -6.816 -8.989 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.828 -4.234 -9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.767 -5.598 -10.664 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.670 -5.066 -11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.075 -4.770 -9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.216 -2.545 -9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.828 -2.841 -11.370 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.102 -3.027 -11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.651 -0.797 -11.580 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.694 0.375 -12.492 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.261 -1.523 -12.406 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.487 -0.031 -12.951 1.00 0.00 H new ATOM 446 N VAL A 32 4.558 -7.914 -8.576 1.00 0.00 N ATOM 447 CA VAL A 32 5.866 -8.508 -8.782 1.00 0.00 C ATOM 448 C VAL A 32 6.229 -8.107 -10.210 1.00 0.00 C ATOM 449 O VAL A 32 5.527 -8.478 -11.155 1.00 0.00 O ATOM 450 CB VAL A 32 5.752 -10.043 -8.647 1.00 0.00 C ATOM 451 CG1 VAL A 32 6.988 -10.786 -9.169 1.00 0.00 C ATOM 452 CG2 VAL A 32 5.515 -10.462 -7.191 1.00 0.00 C ATOM 0 H VAL A 32 3.785 -8.573 -8.666 1.00 0.00 H new ATOM 0 HA VAL A 32 6.617 -8.181 -8.063 1.00 0.00 H new ATOM 0 HB VAL A 32 4.897 -10.321 -9.263 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.846 -11.860 -9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.131 -10.557 -10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.867 -10.470 -8.607 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.440 -11.548 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.347 -10.122 -6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.589 -10.014 -6.830 1.00 0.00 H new ATOM 462 N THR A 33 7.297 -7.324 -10.376 1.00 0.00 N ATOM 463 CA THR A 33 7.925 -7.139 -11.678 1.00 0.00 C ATOM 464 C THR A 33 9.383 -7.599 -11.573 1.00 0.00 C ATOM 465 O THR A 33 9.907 -7.696 -10.457 1.00 0.00 O ATOM 466 CB THR A 33 7.761 -5.689 -12.183 1.00 0.00 C ATOM 467 OG1 THR A 33 8.768 -4.859 -11.664 1.00 0.00 O ATOM 468 CG2 THR A 33 6.395 -5.074 -11.893 1.00 0.00 C ATOM 0 H THR A 33 7.744 -6.807 -9.619 1.00 0.00 H new ATOM 0 HA THR A 33 7.431 -7.749 -12.435 1.00 0.00 H new ATOM 0 HB THR A 33 7.849 -5.756 -13.267 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.511 -4.554 -10.769 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.365 -4.056 -12.281 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.619 -5.669 -12.374 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.224 -5.058 -10.817 1.00 0.00 H new ATOM 476 N PRO A 34 10.084 -7.812 -12.700 1.00 0.00 N ATOM 477 CA PRO A 34 11.511 -8.055 -12.691 1.00 0.00 C ATOM 478 C PRO A 34 12.305 -6.790 -12.355 1.00 0.00 C ATOM 479 O PRO A 34 13.512 -6.907 -12.127 1.00 0.00 O ATOM 480 CB PRO A 34 11.859 -8.554 -14.098 1.00 0.00 C ATOM 481 CG PRO A 34 10.728 -8.065 -14.998 1.00 0.00 C ATOM 482 CD PRO A 34 9.573 -7.744 -14.054 1.00 0.00 C ATOM 0 HA PRO A 34 11.773 -8.783 -11.923 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.820 -8.160 -14.427 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.936 -9.641 -14.121 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.029 -7.184 -15.565 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.444 -8.828 -15.722 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.172 -6.752 -14.263 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.757 -8.453 -14.192 1.00 0.00 H new ATOM 490 N THR A 35 11.683 -5.605 -12.371 1.00 0.00 N ATOM 491 CA THR A 35 12.381 -4.330 -12.337 1.00 0.00 C ATOM 492 C THR A 35 12.436 -3.808 -10.899 1.00 0.00 C ATOM 493 O THR A 35 13.493 -3.369 -10.444 1.00 0.00 O ATOM 494 CB THR A 35 11.735 -3.352 -13.344 1.00 0.00 C ATOM 495 OG1 THR A 35 10.516 -2.824 -12.865 1.00 0.00 O ATOM 496 CG2 THR A 35 11.515 -4.000 -14.718 1.00 0.00 C ATOM 0 H THR A 35 10.668 -5.512 -12.408 1.00 0.00 H new ATOM 0 HA THR A 35 13.417 -4.447 -12.655 1.00 0.00 H new ATOM 0 HB THR A 35 12.444 -2.532 -13.459 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.963 -3.550 -12.508 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.059 -3.276 -15.393 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.473 -4.323 -15.126 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.857 -4.862 -14.612 1.00 0.00 H new ATOM 504 N ARG A 36 11.307 -3.833 -10.183 1.00 0.00 N ATOM 505 CA ARG A 36 11.212 -3.694 -8.734 1.00 0.00 C ATOM 506 C ARG A 36 9.849 -4.209 -8.279 1.00 0.00 C ATOM 507 O ARG A 36 8.949 -4.430 -9.096 1.00 0.00 O ATOM 508 CB ARG A 36 11.426 -2.235 -8.280 1.00 0.00 C ATOM 509 CG ARG A 36 10.570 -1.162 -8.965 1.00 0.00 C ATOM 510 CD ARG A 36 10.613 0.117 -8.110 1.00 0.00 C ATOM 511 NE ARG A 36 10.694 1.339 -8.928 1.00 0.00 N ATOM 512 CZ ARG A 36 11.745 2.166 -9.030 1.00 0.00 C ATOM 513 NH1 ARG A 36 12.907 1.869 -8.453 1.00 0.00 N ATOM 514 NH2 ARG A 36 11.644 3.292 -9.724 1.00 0.00 N ATOM 0 H ARG A 36 10.395 -3.957 -10.622 1.00 0.00 H new ATOM 0 HA ARG A 36 12.004 -4.284 -8.273 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.241 -2.183 -7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.475 -1.982 -8.435 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.947 -0.960 -9.968 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.543 -1.510 -9.075 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.722 0.161 -7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.472 0.074 -7.440 1.00 0.00 H new ATOM 0 HE ARG A 36 9.866 1.581 -9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.007 1.002 -7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.697 2.508 -8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.765 3.531 -10.182 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.446 3.918 -9.799 1.00 0.00 H new ATOM 528 N THR A 37 9.665 -4.358 -6.974 1.00 0.00 N ATOM 529 CA THR A 37 8.331 -4.467 -6.420 1.00 0.00 C ATOM 530 C THR A 37 7.677 -3.085 -6.481 1.00 0.00 C ATOM 531 O THR A 37 8.333 -2.065 -6.260 1.00 0.00 O ATOM 532 CB THR A 37 8.438 -5.018 -4.995 1.00 0.00 C ATOM 533 OG1 THR A 37 9.119 -6.262 -5.058 1.00 0.00 O ATOM 534 CG2 THR A 37 7.051 -5.226 -4.376 1.00 0.00 C ATOM 0 H THR A 37 10.418 -4.405 -6.288 1.00 0.00 H new ATOM 0 HA THR A 37 7.704 -5.156 -6.986 1.00 0.00 H new ATOM 0 HB THR A 37 8.978 -4.306 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.202 -6.636 -4.156 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.159 -5.618 -3.365 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.521 -4.274 -4.342 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.485 -5.934 -4.981 1.00 0.00 H new ATOM 542 N GLU A 38 6.371 -3.055 -6.717 1.00 0.00 N ATOM 543 CA GLU A 38 5.528 -1.874 -6.633 1.00 0.00 C ATOM 544 C GLU A 38 4.429 -2.190 -5.629 1.00 0.00 C ATOM 545 O GLU A 38 3.903 -3.307 -5.618 1.00 0.00 O ATOM 546 CB GLU A 38 4.860 -1.619 -7.976 1.00 0.00 C ATOM 547 CG GLU A 38 5.804 -1.279 -9.131 1.00 0.00 C ATOM 548 CD GLU A 38 4.992 -1.216 -10.419 1.00 0.00 C ATOM 549 OE1 GLU A 38 4.047 -0.402 -10.485 1.00 0.00 O ATOM 550 OE2 GLU A 38 5.221 -2.059 -11.316 1.00 0.00 O ATOM 0 H GLU A 38 5.850 -3.891 -6.984 1.00 0.00 H new ATOM 0 HA GLU A 38 6.120 -1.005 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.285 -2.504 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.150 -0.801 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.298 -0.325 -8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.587 -2.032 -9.214 1.00 0.00 H new ATOM 557 N ILE A 39 4.077 -1.207 -4.810 1.00 0.00 N ATOM 558 CA ILE A 39 3.107 -1.305 -3.739 1.00 0.00 C ATOM 559 C ILE A 39 2.215 -0.074 -3.886 1.00 0.00 C ATOM 560 O ILE A 39 2.714 1.045 -3.846 1.00 0.00 O ATOM 561 CB ILE A 39 3.879 -1.363 -2.400 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.609 -2.714 -2.233 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.944 -1.111 -1.225 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.505 -2.796 -0.992 1.00 0.00 C ATOM 0 H ILE A 39 4.484 -0.275 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 39 2.483 -2.198 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 39 4.631 -0.574 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.867 -3.511 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.217 -2.897 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.509 -1.157 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.490 -0.125 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.162 -1.871 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.980 -3.776 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.272 -2.023 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.901 -2.647 -0.097 1.00 0.00 H new ATOM 576 N ILE A 40 0.911 -0.241 -4.091 1.00 0.00 N ATOM 577 CA ILE A 40 -0.007 0.856 -4.373 1.00 0.00 C ATOM 578 C ILE A 40 -1.118 0.815 -3.338 1.00 0.00 C ATOM 579 O ILE A 40 -1.891 -0.139 -3.289 1.00 0.00 O ATOM 580 CB ILE A 40 -0.493 0.731 -5.833 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.700 0.900 -6.807 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.551 1.797 -6.141 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.102 -0.368 -7.547 1.00 0.00 C ATOM 0 H ILE A 40 0.458 -1.154 -4.065 1.00 0.00 H new ATOM 0 HA ILE A 40 0.467 1.834 -4.292 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.934 -0.257 -5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.448 1.667 -7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.560 1.265 -6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.882 1.693 -7.174 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.402 1.668 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.122 2.788 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.944 -0.154 -8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.390 -1.134 -6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.260 -0.726 -8.140 1.00 0.00 H new ATOM 595 N ILE A 41 -1.164 1.808 -2.452 1.00 0.00 N ATOM 596 CA ILE A 41 -2.260 1.973 -1.509 1.00 0.00 C ATOM 597 C ILE A 41 -3.483 2.417 -2.315 1.00 0.00 C ATOM 598 O ILE A 41 -3.377 3.376 -3.085 1.00 0.00 O ATOM 599 CB ILE A 41 -1.889 3.006 -0.418 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.832 2.502 0.597 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.166 3.306 0.388 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.643 2.488 0.165 1.00 0.00 C ATOM 0 H ILE A 41 -0.439 2.521 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.474 1.039 -0.989 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.469 3.871 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.910 3.118 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.104 1.486 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.941 4.033 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.929 3.711 -0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.533 2.386 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.258 2.110 0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.761 1.843 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.958 3.500 -0.088 1.00 0.00 H new ATOM 614 N LEU A 42 -4.636 1.781 -2.086 1.00 0.00 N ATOM 615 CA LEU A 42 -5.954 2.263 -2.487 1.00 0.00 C ATOM 616 C LEU A 42 -6.548 2.943 -1.256 1.00 0.00 C ATOM 617 O LEU A 42 -6.958 2.275 -0.300 1.00 0.00 O ATOM 618 CB LEU A 42 -6.879 1.121 -2.963 1.00 0.00 C ATOM 619 CG LEU A 42 -6.250 0.174 -4.000 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.216 -0.974 -4.303 1.00 0.00 C ATOM 621 CD2 LEU A 42 -5.881 0.901 -5.293 1.00 0.00 C ATOM 0 H LEU A 42 -4.675 0.886 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.861 2.945 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.187 0.536 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.782 1.557 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.328 -0.220 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.767 -1.643 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.422 -1.527 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.147 -0.571 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.441 0.193 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.777 1.339 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.162 1.690 -5.074 1.00 0.00 H new ATOM 633 N ALA A 43 -6.579 4.271 -1.257 1.00 0.00 N ATOM 634 CA ALA A 43 -7.267 5.058 -0.232 1.00 0.00 C ATOM 635 C ALA A 43 -8.073 6.140 -0.932 1.00 0.00 C ATOM 636 O ALA A 43 -7.894 6.419 -2.117 1.00 0.00 O ATOM 637 CB ALA A 43 -6.288 5.673 0.788 1.00 0.00 C ATOM 0 H ALA A 43 -6.125 4.839 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.924 4.402 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.846 6.247 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.736 4.877 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.589 6.330 0.271 1.00 0.00 H new ATOM 643 N THR A 44 -8.970 6.773 -0.195 1.00 0.00 N ATOM 644 CA THR A 44 -9.843 7.784 -0.759 1.00 0.00 C ATOM 645 C THR A 44 -9.067 9.067 -1.092 1.00 0.00 C ATOM 646 O THR A 44 -9.377 9.715 -2.094 1.00 0.00 O ATOM 647 CB THR A 44 -11.015 8.023 0.202 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.592 8.154 1.540 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.013 6.866 0.183 1.00 0.00 C ATOM 0 H THR A 44 -9.112 6.602 0.801 1.00 0.00 H new ATOM 0 HA THR A 44 -10.251 7.435 -1.708 1.00 0.00 H new ATOM 0 HB THR A 44 -11.477 8.946 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.370 8.306 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.827 7.076 0.877 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.416 6.749 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.510 5.946 0.481 1.00 0.00 H new ATOM 657 N ARG A 45 -8.064 9.453 -0.287 1.00 0.00 N ATOM 658 CA ARG A 45 -7.509 10.808 -0.309 1.00 0.00 C ATOM 659 C ARG A 45 -5.994 10.771 -0.478 1.00 0.00 C ATOM 660 O ARG A 45 -5.246 11.041 0.454 1.00 0.00 O ATOM 661 CB ARG A 45 -7.922 11.582 0.959 1.00 0.00 C ATOM 662 CG ARG A 45 -9.384 11.459 1.401 1.00 0.00 C ATOM 663 CD ARG A 45 -10.422 11.960 0.384 1.00 0.00 C ATOM 664 NE ARG A 45 -11.783 11.595 0.808 1.00 0.00 N ATOM 665 CZ ARG A 45 -12.383 11.937 1.949 1.00 0.00 C ATOM 666 NH1 ARG A 45 -11.907 12.930 2.698 1.00 0.00 N ATOM 667 NH2 ARG A 45 -13.464 11.276 2.332 1.00 0.00 N ATOM 0 H ARG A 45 -7.620 8.835 0.392 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.919 11.338 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.290 11.248 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.704 12.638 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.593 10.412 1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.513 12.013 2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.345 13.043 0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.214 11.532 -0.597 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.324 11.020 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.074 13.439 2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.375 13.182 3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.828 10.516 1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.933 11.527 3.202 1.00 0.00 H new ATOM 681 N THR A 46 -5.520 10.482 -1.685 1.00 0.00 N ATOM 682 CA THR A 46 -4.113 10.174 -1.944 1.00 0.00 C ATOM 683 C THR A 46 -3.140 11.207 -1.361 1.00 0.00 C ATOM 684 O THR A 46 -2.136 10.836 -0.764 1.00 0.00 O ATOM 685 CB THR A 46 -3.925 9.961 -3.451 1.00 0.00 C ATOM 686 OG1 THR A 46 -4.481 11.001 -4.239 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.632 8.673 -3.857 1.00 0.00 C ATOM 0 H THR A 46 -6.105 10.454 -2.520 1.00 0.00 H new ATOM 0 HA THR A 46 -3.860 9.253 -1.418 1.00 0.00 H new ATOM 0 HB THR A 46 -2.850 9.931 -3.628 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.328 10.810 -5.188 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.506 8.510 -4.927 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.203 7.834 -3.309 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.694 8.752 -3.625 1.00 0.00 H new ATOM 695 N GLN A 47 -3.458 12.500 -1.449 1.00 0.00 N ATOM 696 CA GLN A 47 -2.641 13.575 -0.887 1.00 0.00 C ATOM 697 C GLN A 47 -2.410 13.453 0.630 1.00 0.00 C ATOM 698 O GLN A 47 -1.345 13.826 1.131 1.00 0.00 O ATOM 699 CB GLN A 47 -3.282 14.922 -1.260 1.00 0.00 C ATOM 700 CG GLN A 47 -4.650 15.163 -0.594 1.00 0.00 C ATOM 701 CD GLN A 47 -5.350 16.378 -1.186 1.00 0.00 C ATOM 702 OE1 GLN A 47 -6.295 16.234 -1.959 1.00 0.00 O ATOM 703 NE2 GLN A 47 -4.927 17.579 -0.831 1.00 0.00 N ATOM 0 H GLN A 47 -4.300 12.833 -1.918 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.644 13.500 -1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.604 15.727 -0.978 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.401 14.970 -2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.278 14.281 -0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.514 15.306 0.478 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.141 17.673 -0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.387 18.411 -1.200 1.00 0.00 H new ATOM 712 N ASN A 48 -3.392 12.953 1.384 1.00 0.00 N ATOM 713 CA ASN A 48 -3.260 12.758 2.825 1.00 0.00 C ATOM 714 C ASN A 48 -2.432 11.501 3.094 1.00 0.00 C ATOM 715 O ASN A 48 -1.600 11.531 4.001 1.00 0.00 O ATOM 716 CB ASN A 48 -4.636 12.664 3.504 1.00 0.00 C ATOM 717 CG ASN A 48 -5.138 13.961 4.109 1.00 0.00 C ATOM 718 OD1 ASN A 48 -4.887 15.046 3.591 1.00 0.00 O ATOM 719 ND2 ASN A 48 -5.866 13.878 5.214 1.00 0.00 N ATOM 0 H ASN A 48 -4.299 12.673 1.011 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.749 13.622 3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.364 12.316 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.587 11.909 4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.229 14.725 5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.063 12.967 5.628 1.00 0.00 H new ATOM 726 N VAL A 49 -2.593 10.443 2.286 1.00 0.00 N ATOM 727 CA VAL A 49 -1.785 9.226 2.409 1.00 0.00 C ATOM 728 C VAL A 49 -0.329 9.528 2.064 1.00 0.00 C ATOM 729 O VAL A 49 0.578 8.993 2.697 1.00 0.00 O ATOM 730 CB VAL A 49 -2.338 8.087 1.525 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.500 6.805 1.626 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.764 7.727 1.940 1.00 0.00 C ATOM 0 H VAL A 49 -3.282 10.409 1.535 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.837 8.886 3.443 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.305 8.462 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.932 6.036 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.479 7.012 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.493 6.455 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.136 6.923 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.769 7.400 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.406 8.601 1.831 1.00 0.00 H new ATOM 742 N LEU A 50 -0.069 10.387 1.081 1.00 0.00 N ATOM 743 CA LEU A 50 1.282 10.853 0.808 1.00 0.00 C ATOM 744 C LEU A 50 1.791 11.642 2.008 1.00 0.00 C ATOM 745 O LEU A 50 2.938 11.464 2.413 1.00 0.00 O ATOM 746 CB LEU A 50 1.312 11.686 -0.486 1.00 0.00 C ATOM 747 CG LEU A 50 1.120 10.837 -1.759 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.961 11.758 -2.974 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.296 9.880 -1.989 1.00 0.00 C ATOM 0 H LEU A 50 -0.780 10.773 0.461 1.00 0.00 H new ATOM 0 HA LEU A 50 1.945 10.002 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.530 12.444 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.264 12.214 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 50 0.221 10.235 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.826 11.155 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.091 12.400 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.853 12.375 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.122 9.300 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.216 10.454 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.387 9.204 -1.138 1.00 0.00 H new ATOM 761 N GLY A 51 0.945 12.486 2.598 1.00 0.00 N ATOM 762 CA GLY A 51 1.330 13.409 3.647 1.00 0.00 C ATOM 763 C GLY A 51 2.110 14.576 3.046 1.00 0.00 C ATOM 764 O GLY A 51 2.345 14.632 1.836 1.00 0.00 O ATOM 0 H GLY A 51 -0.043 12.543 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.444 13.779 4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.940 12.896 4.390 1.00 0.00 H new ATOM 768 N GLU A 52 2.523 15.512 3.896 1.00 0.00 N ATOM 769 CA GLU A 52 3.207 16.735 3.492 1.00 0.00 C ATOM 770 C GLU A 52 4.435 16.391 2.647 1.00 0.00 C ATOM 771 O GLU A 52 5.356 15.737 3.138 1.00 0.00 O ATOM 772 CB GLU A 52 3.586 17.536 4.748 1.00 0.00 C ATOM 773 CG GLU A 52 4.336 18.822 4.368 1.00 0.00 C ATOM 774 CD GLU A 52 4.630 19.772 5.530 1.00 0.00 C ATOM 775 OE1 GLU A 52 4.767 19.329 6.694 1.00 0.00 O ATOM 776 OE2 GLU A 52 4.781 20.978 5.237 1.00 0.00 O ATOM 0 H GLU A 52 2.389 15.439 4.904 1.00 0.00 H new ATOM 0 HA GLU A 52 2.549 17.350 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.687 17.787 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.210 16.925 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.280 18.547 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.750 19.358 3.621 1.00 0.00 H new ATOM 783 N LYS A 53 4.443 16.800 1.371 1.00 0.00 N ATOM 784 CA LYS A 53 5.527 16.564 0.408 1.00 0.00 C ATOM 785 C LYS A 53 5.923 15.083 0.354 1.00 0.00 C ATOM 786 O LYS A 53 7.092 14.738 0.144 1.00 0.00 O ATOM 787 CB LYS A 53 6.691 17.523 0.716 1.00 0.00 C ATOM 788 CG LYS A 53 6.346 18.998 0.437 1.00 0.00 C ATOM 789 CD LYS A 53 6.663 19.444 -1.001 1.00 0.00 C ATOM 790 CE LYS A 53 7.628 20.639 -0.985 1.00 0.00 C ATOM 791 NZ LYS A 53 8.040 21.045 -2.343 1.00 0.00 N ATOM 0 H LYS A 53 3.666 17.323 0.967 1.00 0.00 H new ATOM 0 HA LYS A 53 5.186 16.788 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.977 17.414 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.557 17.239 0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.286 19.158 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.897 19.629 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.105 18.617 -1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.742 19.718 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.151 21.482 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.512 20.382 -0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.690 21.854 -2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.520 20.250 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.201 21.317 -2.894 1.00 0.00 H new ATOM 805 N GLY A 54 4.960 14.182 0.560 1.00 0.00 N ATOM 806 CA GLY A 54 5.204 12.754 0.577 1.00 0.00 C ATOM 807 C GLY A 54 5.811 12.274 1.896 1.00 0.00 C ATOM 808 O GLY A 54 6.644 11.367 1.854 1.00 0.00 O ATOM 0 H GLY A 54 3.985 14.434 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.266 12.227 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.874 12.494 -0.242 1.00 0.00 H new ATOM 812 N ARG A 55 5.466 12.875 3.045 1.00 0.00 N ATOM 813 CA ARG A 55 5.937 12.463 4.373 1.00 0.00 C ATOM 814 C ARG A 55 5.566 11.027 4.695 1.00 0.00 C ATOM 815 O ARG A 55 6.452 10.196 4.885 1.00 0.00 O ATOM 816 CB ARG A 55 5.399 13.384 5.500 1.00 0.00 C ATOM 817 CG ARG A 55 6.506 14.240 6.125 1.00 0.00 C ATOM 818 CD ARG A 55 7.587 13.408 6.829 1.00 0.00 C ATOM 819 NE ARG A 55 7.175 12.860 8.135 1.00 0.00 N ATOM 820 CZ ARG A 55 8.053 12.363 9.016 1.00 0.00 C ATOM 821 NH1 ARG A 55 9.320 12.155 8.665 1.00 0.00 N ATOM 822 NH2 ARG A 55 7.667 12.053 10.240 1.00 0.00 N ATOM 0 H ARG A 55 4.838 13.678 3.076 1.00 0.00 H new ATOM 0 HA ARG A 55 7.023 12.549 4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.623 14.034 5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.933 12.774 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.971 14.846 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.062 14.930 6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.877 12.584 6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.472 14.028 6.971 1.00 0.00 H new ATOM 0 HE ARG A 55 6.184 12.860 8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.630 12.374 7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.981 11.776 9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.696 12.192 10.519 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.340 11.675 10.907 1.00 0.00 H new ATOM 836 N ARG A 56 4.264 10.755 4.821 1.00 0.00 N ATOM 837 CA ARG A 56 3.769 9.508 5.388 1.00 0.00 C ATOM 838 C ARG A 56 4.259 8.353 4.544 1.00 0.00 C ATOM 839 O ARG A 56 4.699 7.350 5.096 1.00 0.00 O ATOM 840 CB ARG A 56 2.230 9.498 5.467 1.00 0.00 C ATOM 841 CG ARG A 56 1.701 8.859 6.756 1.00 0.00 C ATOM 842 CD ARG A 56 1.826 9.852 7.909 1.00 0.00 C ATOM 843 NE ARG A 56 0.760 10.852 7.873 1.00 0.00 N ATOM 844 CZ ARG A 56 0.882 12.127 8.240 1.00 0.00 C ATOM 845 NH1 ARG A 56 2.037 12.616 8.693 1.00 0.00 N ATOM 846 NH2 ARG A 56 -0.179 12.903 8.106 1.00 0.00 N ATOM 0 H ARG A 56 3.527 11.397 4.531 1.00 0.00 H new ATOM 0 HA ARG A 56 4.149 9.411 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.861 10.521 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.831 8.957 4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.659 8.565 6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.262 7.952 6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.792 9.316 8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.795 10.349 7.859 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.154 10.548 7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.854 12.010 8.765 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.103 13.596 8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.048 12.519 7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.129 13.886 8.375 1.00 0.00 H new ATOM 860 N ILE A 57 4.215 8.515 3.220 1.00 0.00 N ATOM 861 CA ILE A 57 4.695 7.499 2.305 1.00 0.00 C ATOM 862 C ILE A 57 6.192 7.222 2.546 1.00 0.00 C ATOM 863 O ILE A 57 6.577 6.059 2.595 1.00 0.00 O ATOM 864 CB ILE A 57 4.290 7.835 0.863 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.555 6.616 -0.041 1.00 0.00 C ATOM 866 CG2 ILE A 57 4.924 9.127 0.335 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.684 6.666 -1.294 1.00 0.00 C ATOM 0 H ILE A 57 3.847 9.350 2.763 1.00 0.00 H new ATOM 0 HA ILE A 57 4.209 6.543 2.501 1.00 0.00 H new ATOM 0 HB ILE A 57 3.221 8.046 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.607 6.591 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.352 5.698 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.594 9.302 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.620 9.965 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.010 9.034 0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.890 5.795 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.633 6.666 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.907 7.573 -1.856 1.00 0.00 H new ATOM 879 N ARG A 58 7.042 8.239 2.764 1.00 0.00 N ATOM 880 CA ARG A 58 8.478 8.047 3.013 1.00 0.00 C ATOM 881 C ARG A 58 8.717 7.279 4.303 1.00 0.00 C ATOM 882 O ARG A 58 9.535 6.360 4.324 1.00 0.00 O ATOM 883 CB ARG A 58 9.233 9.390 3.071 1.00 0.00 C ATOM 884 CG ARG A 58 10.366 9.467 2.041 1.00 0.00 C ATOM 885 CD ARG A 58 11.253 10.681 2.335 1.00 0.00 C ATOM 886 NE ARG A 58 12.164 10.964 1.218 1.00 0.00 N ATOM 887 CZ ARG A 58 13.453 11.312 1.294 1.00 0.00 C ATOM 888 NH1 ARG A 58 14.159 11.171 2.415 1.00 0.00 N ATOM 889 NH2 ARG A 58 14.047 11.796 0.208 1.00 0.00 N ATOM 0 H ARG A 58 6.752 9.217 2.772 1.00 0.00 H new ATOM 0 HA ARG A 58 8.864 7.467 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.532 10.206 2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.644 9.530 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.961 8.554 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.951 9.543 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.627 11.553 2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.831 10.500 3.241 1.00 0.00 H new ATOM 0 HE ARG A 58 11.770 10.886 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.718 10.787 3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.141 11.447 2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.520 11.895 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.029 12.068 0.242 1.00 0.00 H new ATOM 903 N GLU A 59 8.028 7.683 5.369 1.00 0.00 N ATOM 904 CA GLU A 59 8.076 7.023 6.666 1.00 0.00 C ATOM 905 C GLU A 59 7.688 5.559 6.464 1.00 0.00 C ATOM 906 O GLU A 59 8.487 4.660 6.706 1.00 0.00 O ATOM 907 CB GLU A 59 7.136 7.747 7.652 1.00 0.00 C ATOM 908 CG GLU A 59 7.827 8.462 8.828 1.00 0.00 C ATOM 909 CD GLU A 59 7.516 7.807 10.182 1.00 0.00 C ATOM 910 OE1 GLU A 59 7.966 6.667 10.422 1.00 0.00 O ATOM 911 OE2 GLU A 59 6.852 8.457 11.038 1.00 0.00 O ATOM 0 H GLU A 59 7.410 8.494 5.352 1.00 0.00 H new ATOM 0 HA GLU A 59 9.077 7.063 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.552 8.481 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.432 7.019 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.905 8.460 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.510 9.505 8.851 1.00 0.00 H new ATOM 918 N LEU A 60 6.480 5.300 5.959 1.00 0.00 N ATOM 919 CA LEU A 60 5.947 3.962 5.848 1.00 0.00 C ATOM 920 C LEU A 60 6.722 3.115 4.845 1.00 0.00 C ATOM 921 O LEU A 60 6.760 1.906 5.041 1.00 0.00 O ATOM 922 CB LEU A 60 4.460 4.014 5.493 1.00 0.00 C ATOM 923 CG LEU A 60 3.558 4.384 6.684 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.179 4.818 6.189 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.390 3.185 7.613 1.00 0.00 C ATOM 0 H LEU A 60 5.849 6.025 5.617 1.00 0.00 H new ATOM 0 HA LEU A 60 6.060 3.479 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.310 4.741 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.153 3.044 5.103 1.00 0.00 H new ATOM 0 HG LEU A 60 4.030 5.205 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.551 5.077 7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.283 5.686 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.718 4.001 5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.750 3.461 8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.934 2.361 7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.366 2.876 7.988 1.00 0.00 H new ATOM 937 N THR A 61 7.397 3.697 3.850 1.00 0.00 N ATOM 938 CA THR A 61 8.338 2.977 2.998 1.00 0.00 C ATOM 939 C THR A 61 9.399 2.325 3.883 1.00 0.00 C ATOM 940 O THR A 61 9.592 1.117 3.787 1.00 0.00 O ATOM 941 CB THR A 61 8.957 3.910 1.938 1.00 0.00 C ATOM 942 OG1 THR A 61 7.952 4.409 1.082 1.00 0.00 O ATOM 943 CG2 THR A 61 10.006 3.209 1.070 1.00 0.00 C ATOM 0 H THR A 61 7.303 4.685 3.615 1.00 0.00 H new ATOM 0 HA THR A 61 7.814 2.197 2.446 1.00 0.00 H new ATOM 0 HB THR A 61 9.443 4.715 2.489 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.446 5.109 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.407 3.915 0.342 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.814 2.841 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.545 2.371 0.547 1.00 0.00 H new ATOM 951 N ALA A 62 10.050 3.088 4.765 1.00 0.00 N ATOM 952 CA ALA A 62 11.068 2.565 5.665 1.00 0.00 C ATOM 953 C ALA A 62 10.473 1.583 6.673 1.00 0.00 C ATOM 954 O ALA A 62 11.161 0.632 7.043 1.00 0.00 O ATOM 955 CB ALA A 62 11.725 3.729 6.412 1.00 0.00 C ATOM 0 H ALA A 62 9.882 4.088 4.871 1.00 0.00 H new ATOM 0 HA ALA A 62 11.808 2.030 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.488 3.343 7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.185 4.408 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.970 4.265 6.986 1.00 0.00 H new ATOM 961 N VAL A 63 9.238 1.793 7.146 1.00 0.00 N ATOM 962 CA VAL A 63 8.577 0.824 8.021 1.00 0.00 C ATOM 963 C VAL A 63 8.456 -0.502 7.260 1.00 0.00 C ATOM 964 O VAL A 63 9.017 -1.501 7.708 1.00 0.00 O ATOM 965 CB VAL A 63 7.211 1.335 8.527 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.555 0.322 9.479 1.00 0.00 C ATOM 967 CG2 VAL A 63 7.298 2.667 9.282 1.00 0.00 C ATOM 0 H VAL A 63 8.681 2.622 6.937 1.00 0.00 H new ATOM 0 HA VAL A 63 9.177 0.673 8.919 1.00 0.00 H new ATOM 0 HB VAL A 63 6.618 1.475 7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.595 0.711 9.818 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.400 -0.622 8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.204 0.158 10.339 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.302 2.966 9.608 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.945 2.551 10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.709 3.432 8.624 1.00 0.00 H new ATOM 977 N VAL A 64 7.759 -0.506 6.117 1.00 0.00 N ATOM 978 CA VAL A 64 7.489 -1.652 5.248 1.00 0.00 C ATOM 979 C VAL A 64 8.788 -2.352 4.863 1.00 0.00 C ATOM 980 O VAL A 64 8.846 -3.578 4.915 1.00 0.00 O ATOM 981 CB VAL A 64 6.695 -1.170 4.007 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.718 -2.137 2.809 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.235 -0.906 4.408 1.00 0.00 C ATOM 0 H VAL A 64 7.342 0.350 5.753 1.00 0.00 H new ATOM 0 HA VAL A 64 6.883 -2.386 5.779 1.00 0.00 H new ATOM 0 HB VAL A 64 7.196 -0.262 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.136 -1.715 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.747 -2.288 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.287 -3.093 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.674 -0.567 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.791 -1.825 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.203 -0.139 5.181 1.00 0.00 H new ATOM 993 N GLN A 65 9.826 -1.602 4.495 1.00 0.00 N ATOM 994 CA GLN A 65 11.110 -2.141 4.083 1.00 0.00 C ATOM 995 C GLN A 65 11.675 -3.067 5.166 1.00 0.00 C ATOM 996 O GLN A 65 12.034 -4.198 4.841 1.00 0.00 O ATOM 997 CB GLN A 65 12.043 -0.989 3.669 1.00 0.00 C ATOM 998 CG GLN A 65 12.054 -0.785 2.158 1.00 0.00 C ATOM 999 CD GLN A 65 12.938 0.394 1.758 1.00 0.00 C ATOM 1000 OE1 GLN A 65 13.888 0.764 2.436 1.00 0.00 O ATOM 1001 NE2 GLN A 65 12.617 1.040 0.657 1.00 0.00 N ATOM 0 H GLN A 65 9.791 -0.583 4.476 1.00 0.00 H new ATOM 0 HA GLN A 65 10.999 -2.772 3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.723 -0.069 4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.055 -1.199 4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.412 -1.692 1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.037 -0.614 1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.825 0.728 0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.161 1.852 0.366 1.00 0.00 H new ATOM 1010 N LYS A 66 11.652 -2.675 6.451 1.00 0.00 N ATOM 1011 CA LYS A 66 11.983 -3.618 7.527 1.00 0.00 C ATOM 1012 C LYS A 66 10.893 -4.682 7.696 1.00 0.00 C ATOM 1013 O LYS A 66 11.208 -5.871 7.742 1.00 0.00 O ATOM 1014 CB LYS A 66 12.241 -2.913 8.871 1.00 0.00 C ATOM 1015 CG LYS A 66 13.608 -2.208 8.992 1.00 0.00 C ATOM 1016 CD LYS A 66 13.590 -0.714 8.648 1.00 0.00 C ATOM 1017 CE LYS A 66 12.755 0.093 9.659 1.00 0.00 C ATOM 1018 NZ LYS A 66 12.779 1.542 9.369 1.00 0.00 N ATOM 0 H LYS A 66 11.413 -1.734 6.763 1.00 0.00 H new ATOM 0 HA LYS A 66 12.909 -4.107 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.455 -2.176 9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.158 -3.649 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.975 -2.328 10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.320 -2.710 8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.611 -0.332 8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.182 -0.576 7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.725 -0.262 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.137 -0.081 10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.151 2.039 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.749 1.901 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.454 1.706 8.395 1.00 0.00 H new ATOM 1032 N ARG A 67 9.623 -4.274 7.813 1.00 0.00 N ATOM 1033 CA ARG A 67 8.470 -5.130 8.137 1.00 0.00 C ATOM 1034 C ARG A 67 8.339 -6.322 7.188 1.00 0.00 C ATOM 1035 O ARG A 67 7.823 -7.357 7.608 1.00 0.00 O ATOM 1036 CB ARG A 67 7.187 -4.277 8.183 1.00 0.00 C ATOM 1037 CG ARG A 67 6.329 -4.454 9.451 1.00 0.00 C ATOM 1038 CD ARG A 67 5.195 -5.456 9.256 1.00 0.00 C ATOM 1039 NE ARG A 67 5.618 -6.862 9.307 1.00 0.00 N ATOM 1040 CZ ARG A 67 4.980 -7.848 9.943 1.00 0.00 C ATOM 1041 NH1 ARG A 67 4.114 -7.603 10.923 1.00 0.00 N ATOM 1042 NH2 ARG A 67 5.186 -9.105 9.580 1.00 0.00 N ATOM 0 H ARG A 67 9.358 -3.298 7.679 1.00 0.00 H new ATOM 0 HA ARG A 67 8.634 -5.563 9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.464 -3.227 8.095 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.577 -4.520 7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.965 -4.785 10.272 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.911 -3.490 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.440 -5.287 10.024 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.719 -5.266 8.294 1.00 0.00 H new ATOM 0 HE ARG A 67 6.476 -7.107 8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.923 -6.642 11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.641 -8.376 11.391 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.830 -9.317 8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.701 -9.861 10.063 1.00 0.00 H new ATOM 1056 N PHE A 68 8.783 -6.197 5.940 1.00 0.00 N ATOM 1057 CA PHE A 68 8.638 -7.198 4.889 1.00 0.00 C ATOM 1058 C PHE A 68 9.989 -7.569 4.251 1.00 0.00 C ATOM 1059 O PHE A 68 10.024 -8.372 3.316 1.00 0.00 O ATOM 1060 CB PHE A 68 7.599 -6.696 3.879 1.00 0.00 C ATOM 1061 CG PHE A 68 6.195 -6.594 4.448 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.338 -7.710 4.406 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.733 -5.382 4.993 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.017 -7.604 4.874 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.430 -5.294 5.513 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.570 -6.405 5.454 1.00 0.00 C ATOM 0 H PHE A 68 9.273 -5.361 5.621 1.00 0.00 H new ATOM 0 HA PHE A 68 8.276 -8.133 5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.905 -5.716 3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.586 -7.367 3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.697 -8.650 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.381 -4.518 5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.345 -8.445 4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.089 -4.371 5.959 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.569 -6.337 5.853 1.00 0.00 H new ATOM 1076 N GLY A 69 11.105 -7.033 4.758 1.00 0.00 N ATOM 1077 CA GLY A 69 12.458 -7.426 4.373 1.00 0.00 C ATOM 1078 C GLY A 69 12.887 -6.956 2.980 1.00 0.00 C ATOM 1079 O GLY A 69 13.802 -7.547 2.399 1.00 0.00 O ATOM 0 H GLY A 69 11.088 -6.297 5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.160 -7.031 5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.532 -8.513 4.414 1.00 0.00 H new ATOM 1083 N PHE A 70 12.221 -5.946 2.416 1.00 0.00 N ATOM 1084 CA PHE A 70 12.447 -5.534 1.036 1.00 0.00 C ATOM 1085 C PHE A 70 13.810 -4.863 0.844 1.00 0.00 C ATOM 1086 O PHE A 70 14.176 -4.025 1.673 1.00 0.00 O ATOM 1087 CB PHE A 70 11.379 -4.536 0.576 1.00 0.00 C ATOM 1088 CG PHE A 70 10.063 -5.171 0.211 1.00 0.00 C ATOM 1089 CD1 PHE A 70 9.980 -6.001 -0.921 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.924 -4.926 0.995 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.762 -6.611 -1.254 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.703 -5.525 0.651 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.625 -6.375 -0.468 1.00 0.00 C ATOM 0 H PHE A 70 11.514 -5.395 2.903 1.00 0.00 H new ATOM 0 HA PHE A 70 12.404 -6.449 0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.211 -3.808 1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.757 -3.987 -0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.854 -6.169 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.988 -4.280 1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.700 -7.261 -2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.822 -5.334 1.246 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.687 -6.847 -0.722 1.00 0.00 H new ATOM 1103 N PRO A 71 14.490 -5.117 -0.289 1.00 0.00 N ATOM 1104 CA PRO A 71 15.604 -4.303 -0.758 1.00 0.00 C ATOM 1105 C PRO A 71 15.123 -2.906 -1.181 1.00 0.00 C ATOM 1106 O PRO A 71 14.273 -2.759 -2.063 1.00 0.00 O ATOM 1107 CB PRO A 71 16.226 -5.084 -1.922 1.00 0.00 C ATOM 1108 CG PRO A 71 15.072 -5.937 -2.452 1.00 0.00 C ATOM 1109 CD PRO A 71 14.232 -6.213 -1.215 1.00 0.00 C ATOM 0 HA PRO A 71 16.342 -4.128 0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.614 -4.415 -2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.059 -5.702 -1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.500 -5.408 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.432 -6.860 -2.906 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.173 -6.266 -1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.501 -7.170 -0.768 1.00 0.00 H new ATOM 1117 N GLU A 72 15.669 -1.870 -0.551 1.00 0.00 N ATOM 1118 CA GLU A 72 15.485 -0.468 -0.906 1.00 0.00 C ATOM 1119 C GLU A 72 15.909 -0.228 -2.365 1.00 0.00 C ATOM 1120 O GLU A 72 16.818 -0.885 -2.880 1.00 0.00 O ATOM 1121 CB GLU A 72 16.316 0.364 0.078 1.00 0.00 C ATOM 1122 CG GLU A 72 16.126 1.879 -0.025 1.00 0.00 C ATOM 1123 CD GLU A 72 17.164 2.612 0.828 1.00 0.00 C ATOM 1124 OE1 GLU A 72 17.325 2.299 2.028 1.00 0.00 O ATOM 1125 OE2 GLU A 72 17.837 3.513 0.270 1.00 0.00 O ATOM 0 H GLU A 72 16.279 -1.991 0.257 1.00 0.00 H new ATOM 0 HA GLU A 72 14.437 -0.176 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 72 16.068 0.051 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.370 0.135 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.216 2.192 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.122 2.148 0.303 1.00 0.00 H new ATOM 1132 N GLY A 73 15.242 0.692 -3.071 1.00 0.00 N ATOM 1133 CA GLY A 73 15.447 0.956 -4.497 1.00 0.00 C ATOM 1134 C GLY A 73 14.760 -0.084 -5.390 1.00 0.00 C ATOM 1135 O GLY A 73 14.435 0.211 -6.546 1.00 0.00 O ATOM 0 H GLY A 73 14.527 1.288 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.064 1.948 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.516 0.966 -4.712 1.00 0.00 H new ATOM 1139 N SER A 74 14.499 -1.274 -4.845 1.00 0.00 N ATOM 1140 CA SER A 74 13.839 -2.407 -5.471 1.00 0.00 C ATOM 1141 C SER A 74 12.439 -2.632 -4.863 1.00 0.00 C ATOM 1142 O SER A 74 11.772 -3.611 -5.199 1.00 0.00 O ATOM 1143 CB SER A 74 14.750 -3.631 -5.333 1.00 0.00 C ATOM 1144 OG SER A 74 15.938 -3.511 -6.101 1.00 0.00 O ATOM 0 H SER A 74 14.766 -1.480 -3.882 1.00 0.00 H new ATOM 0 HA SER A 74 13.675 -2.216 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.011 -3.770 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.206 -4.522 -5.647 1.00 0.00 H new ATOM 0 HG SER A 74 16.488 -4.313 -5.980 1.00 0.00 H new ATOM 1150 N VAL A 75 11.940 -1.695 -4.050 1.00 0.00 N ATOM 1151 CA VAL A 75 10.537 -1.563 -3.678 1.00 0.00 C ATOM 1152 C VAL A 75 10.170 -0.089 -3.872 1.00 0.00 C ATOM 1153 O VAL A 75 10.983 0.776 -3.536 1.00 0.00 O ATOM 1154 CB VAL A 75 10.309 -2.101 -2.239 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.995 -1.293 -1.113 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.813 -2.196 -1.909 1.00 0.00 C ATOM 0 H VAL A 75 12.529 -0.983 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 75 9.877 -2.165 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 75 10.777 -3.085 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.773 -1.751 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.073 -1.289 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.623 -0.269 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.687 -2.576 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.360 -1.207 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.327 -2.872 -2.612 1.00 0.00 H new ATOM 1166 N GLU A 76 8.978 0.215 -4.386 1.00 0.00 N ATOM 1167 CA GLU A 76 8.398 1.557 -4.368 1.00 0.00 C ATOM 1168 C GLU A 76 6.992 1.481 -3.813 1.00 0.00 C ATOM 1169 O GLU A 76 6.327 0.449 -3.933 1.00 0.00 O ATOM 1170 CB GLU A 76 8.325 2.182 -5.773 1.00 0.00 C ATOM 1171 CG GLU A 76 9.569 3.021 -6.075 1.00 0.00 C ATOM 1172 CD GLU A 76 9.535 4.398 -5.403 1.00 0.00 C ATOM 1173 OE1 GLU A 76 9.649 4.468 -4.152 1.00 0.00 O ATOM 1174 OE2 GLU A 76 9.423 5.408 -6.130 1.00 0.00 O ATOM 0 H GLU A 76 8.378 -0.477 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 76 9.042 2.181 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.226 1.394 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.435 2.807 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.455 2.481 -5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.661 3.150 -7.153 1.00 0.00 H new ATOM 1181 N LEU A 77 6.548 2.607 -3.256 1.00 0.00 N ATOM 1182 CA LEU A 77 5.207 2.797 -2.723 1.00 0.00 C ATOM 1183 C LEU A 77 4.559 3.944 -3.502 1.00 0.00 C ATOM 1184 O LEU A 77 5.205 4.970 -3.737 1.00 0.00 O ATOM 1185 CB LEU A 77 5.220 3.092 -1.206 1.00 0.00 C ATOM 1186 CG LEU A 77 5.339 1.856 -0.285 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.726 1.200 -0.309 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.010 2.248 1.164 1.00 0.00 C ATOM 0 H LEU A 77 7.134 3.437 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 77 4.633 1.878 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.052 3.763 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.305 3.626 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 77 4.626 1.127 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.733 0.340 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.956 0.872 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.475 1.921 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.096 1.372 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.708 3.015 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.993 2.636 1.214 1.00 0.00 H new ATOM 1200 N TYR A 78 3.279 3.793 -3.845 1.00 0.00 N ATOM 1201 CA TYR A 78 2.475 4.751 -4.596 1.00 0.00 C ATOM 1202 C TYR A 78 1.113 4.952 -3.903 1.00 0.00 C ATOM 1203 O TYR A 78 0.744 4.188 -2.996 1.00 0.00 O ATOM 1204 CB TYR A 78 2.296 4.225 -6.029 1.00 0.00 C ATOM 1205 CG TYR A 78 3.587 3.921 -6.787 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.217 4.953 -7.509 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.160 2.626 -6.792 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.408 4.709 -8.216 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.327 2.365 -7.532 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.964 3.412 -8.237 1.00 0.00 C ATOM 1211 OH TYR A 78 7.130 3.207 -8.905 1.00 0.00 O ATOM 0 H TYR A 78 2.751 2.957 -3.593 1.00 0.00 H new ATOM 0 HA TYR A 78 2.975 5.719 -4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.696 3.316 -5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.726 4.960 -6.598 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.781 5.941 -7.520 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.697 1.833 -6.223 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.897 5.515 -8.743 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.736 1.366 -7.562 1.00 0.00 H new ATOM 0 HH TYR A 78 7.389 2.265 -8.829 1.00 0.00 H new ATOM 1221 N ALA A 79 0.350 5.971 -4.320 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.951 6.326 -3.755 1.00 0.00 C ATOM 1223 C ALA A 79 -1.983 6.507 -4.876 1.00 0.00 C ATOM 1224 O ALA A 79 -2.017 7.543 -5.553 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.822 7.631 -2.944 1.00 0.00 C ATOM 0 H ALA A 79 0.633 6.587 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.286 5.523 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.792 7.895 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.103 7.488 -2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.480 8.433 -3.598 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.922 5.567 -4.989 1.00 0.00 N ATOM 1232 CA GLU A 80 -4.038 5.646 -5.922 1.00 0.00 C ATOM 1233 C GLU A 80 -5.335 5.970 -5.199 1.00 0.00 C ATOM 1234 O GLU A 80 -5.562 5.554 -4.057 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.241 4.319 -6.658 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.062 4.505 -8.171 1.00 0.00 C ATOM 1237 CD GLU A 80 -2.581 4.640 -8.539 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -2.033 5.767 -8.463 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -1.989 3.611 -8.930 1.00 0.00 O ATOM 0 H GLU A 80 -2.925 4.718 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.792 6.436 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.528 3.581 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.238 3.931 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.495 3.655 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.603 5.393 -8.498 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.218 6.699 -5.879 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.540 6.972 -5.379 1.00 0.00 C ATOM 1248 C LYS A 81 -8.429 5.784 -5.674 1.00 0.00 C ATOM 1249 O LYS A 81 -8.270 5.104 -6.695 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.092 8.205 -6.075 1.00 0.00 C ATOM 1251 CG LYS A 81 -7.661 9.507 -5.399 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.690 10.596 -5.685 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.168 11.958 -5.221 1.00 0.00 C ATOM 1254 NZ LYS A 81 -7.151 12.536 -6.130 1.00 0.00 N ATOM 0 H LYS A 81 -6.025 7.112 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.505 7.148 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.758 8.211 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.181 8.152 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.565 9.356 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.681 9.813 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.908 10.628 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.625 10.365 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.005 12.651 -5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.738 11.854 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.863 13.472 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.322 11.910 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.553 12.633 -7.084 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.421 5.603 -4.813 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.476 4.624 -5.022 1.00 0.00 C ATOM 1270 C VAL A 82 -11.364 5.123 -6.167 1.00 0.00 C ATOM 1271 O VAL A 82 -11.450 6.323 -6.460 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.239 4.417 -3.698 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -12.501 3.545 -3.784 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -10.315 3.786 -2.646 1.00 0.00 C ATOM 0 H VAL A 82 -9.516 6.134 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.083 3.649 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.566 5.420 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.957 3.467 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.210 3.998 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.232 2.550 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.866 3.645 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.959 2.821 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.464 4.443 -2.468 1.00 0.00 H new