USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 450 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 22 GLN : amide:sc= 1.69 K(o=2.7,f=0.14!) USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0.973 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 67:sc= 1.23 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0.921 (180deg=0.777) USER MOD Single : A 21 ASN : amide:sc= 0.595 K(o=0.6,f=-1.8) USER MOD Single : A 24 SER OG : rot -70:sc= 1.21 USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= 0.514 (180deg=-0.0566) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.2) USER MOD Single : A 33 GLN : amide:sc= 0.262 X(o=0.26,f=-0.013) USER MOD Single : A 45 THR OG1 : rot 37:sc= 0.152 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.544 K(o=0.54,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0252) USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 3 4.962 15.721 -2.395 1.00 0.00 N ATOM 75 CA PRO A 3 6.371 15.386 -2.534 1.00 0.00 C ATOM 76 C PRO A 3 7.202 16.666 -2.639 1.00 0.00 C ATOM 77 O PRO A 3 8.216 16.805 -1.961 1.00 0.00 O ATOM 78 CB PRO A 3 6.471 14.498 -3.779 1.00 0.00 C ATOM 79 CG PRO A 3 5.203 14.816 -4.572 1.00 0.00 C ATOM 80 CD PRO A 3 4.183 15.163 -3.488 1.00 0.00 C ATOM 0 HA PRO A 3 6.766 14.850 -1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.368 14.722 -4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.519 13.442 -3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.357 15.648 -5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.879 13.964 -5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.448 15.880 -3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.633 14.278 -3.168 1.00 0.00 H new ATOM 88 N ALA A 4 6.761 17.613 -3.477 1.00 0.00 N ATOM 89 CA ALA A 4 7.441 18.890 -3.660 1.00 0.00 C ATOM 90 C ALA A 4 7.626 19.641 -2.346 1.00 0.00 C ATOM 91 O ALA A 4 8.648 20.278 -2.103 1.00 0.00 O ATOM 92 CB ALA A 4 6.693 19.740 -4.690 1.00 0.00 C ATOM 0 H ALA A 4 5.921 17.510 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 4 8.442 18.683 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.208 20.692 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.661 19.212 -5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.676 19.923 -4.342 1.00 0.00 H new ATOM 98 N GLU A 5 6.618 19.541 -1.492 1.00 0.00 N ATOM 99 CA GLU A 5 6.616 20.173 -0.184 1.00 0.00 C ATOM 100 C GLU A 5 7.694 19.508 0.667 1.00 0.00 C ATOM 101 O GLU A 5 8.558 20.200 1.205 1.00 0.00 O ATOM 102 CB GLU A 5 5.232 20.096 0.473 1.00 0.00 C ATOM 103 CG GLU A 5 4.205 20.991 -0.234 1.00 0.00 C ATOM 104 CD GLU A 5 4.294 22.435 0.239 1.00 0.00 C ATOM 105 OE1 GLU A 5 3.601 22.737 1.235 1.00 0.00 O ATOM 106 OE2 GLU A 5 5.057 23.200 -0.387 1.00 0.00 O ATOM 0 H GLU A 5 5.769 19.012 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 5 6.840 21.235 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.882 19.064 0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.311 20.392 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.368 20.951 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.201 20.609 -0.049 1.00 0.00 H new ATOM 113 N LEU A 6 7.665 18.174 0.779 1.00 0.00 N ATOM 114 CA LEU A 6 8.680 17.463 1.554 1.00 0.00 C ATOM 115 C LEU A 6 10.082 17.813 1.070 1.00 0.00 C ATOM 116 O LEU A 6 10.994 18.101 1.848 1.00 0.00 O ATOM 117 CB LEU A 6 8.468 15.944 1.534 1.00 0.00 C ATOM 118 CG LEU A 6 7.161 15.454 2.175 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.266 13.936 2.363 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.892 16.105 3.535 1.00 0.00 C ATOM 0 H LEU A 6 6.960 17.576 0.349 1.00 0.00 H new ATOM 0 HA LEU A 6 8.575 17.792 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.495 15.604 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.305 15.470 2.047 1.00 0.00 H new ATOM 0 HG LEU A 6 6.336 15.727 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.349 13.561 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.412 13.459 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.112 13.707 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.956 15.723 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.708 15.870 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.820 17.186 3.413 1.00 0.00 H new ATOM 132 N LYS A 7 10.216 17.792 -0.248 1.00 0.00 N ATOM 133 CA LYS A 7 11.442 18.127 -0.948 1.00 0.00 C ATOM 134 C LYS A 7 11.858 19.538 -0.532 1.00 0.00 C ATOM 135 O LYS A 7 13.023 19.763 -0.221 1.00 0.00 O ATOM 136 CB LYS A 7 11.261 17.980 -2.464 1.00 0.00 C ATOM 137 CG LYS A 7 12.609 18.072 -3.195 1.00 0.00 C ATOM 138 CD LYS A 7 12.456 17.995 -4.720 1.00 0.00 C ATOM 139 CE LYS A 7 11.945 16.626 -5.188 1.00 0.00 C ATOM 140 NZ LYS A 7 11.950 16.530 -6.659 1.00 0.00 N ATOM 0 H LYS A 7 9.453 17.534 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 7 12.241 17.437 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.789 17.023 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.592 18.758 -2.830 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.100 19.008 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.258 17.264 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.766 18.771 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.418 18.201 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.570 15.838 -4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.934 16.465 -4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.600 15.594 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.334 17.268 -7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.919 16.660 -7.012 1.00 0.00 H new ATOM 154 N SER A 8 10.918 20.487 -0.502 1.00 0.00 N ATOM 155 CA SER A 8 11.213 21.841 -0.067 1.00 0.00 C ATOM 156 C SER A 8 11.765 21.830 1.360 1.00 0.00 C ATOM 157 O SER A 8 12.799 22.448 1.593 1.00 0.00 O ATOM 158 CB SER A 8 9.993 22.759 -0.202 1.00 0.00 C ATOM 159 OG SER A 8 9.582 22.818 -1.552 1.00 0.00 O ATOM 0 H SER A 8 9.947 20.335 -0.776 1.00 0.00 H new ATOM 0 HA SER A 8 11.981 22.251 -0.723 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.178 22.388 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.238 23.759 0.157 1.00 0.00 H new ATOM 0 HG SER A 8 9.235 21.944 -1.827 1.00 0.00 H new ATOM 165 N ILE A 9 11.114 21.139 2.310 1.00 0.00 N ATOM 166 CA ILE A 9 11.616 21.096 3.690 1.00 0.00 C ATOM 167 C ILE A 9 13.069 20.610 3.682 1.00 0.00 C ATOM 168 O ILE A 9 13.964 21.248 4.239 1.00 0.00 O ATOM 169 CB ILE A 9 10.793 20.180 4.625 1.00 0.00 C ATOM 170 CG1 ILE A 9 9.271 20.177 4.430 1.00 0.00 C ATOM 171 CG2 ILE A 9 11.138 20.507 6.084 1.00 0.00 C ATOM 172 CD1 ILE A 9 8.595 21.543 4.375 1.00 0.00 C ATOM 0 H ILE A 9 10.255 20.612 2.151 1.00 0.00 H new ATOM 0 HA ILE A 9 11.530 22.110 4.081 1.00 0.00 H new ATOM 0 HB ILE A 9 11.089 19.168 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.045 19.646 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.823 19.606 5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.560 19.864 6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.202 20.340 6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.897 21.550 6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.522 21.413 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.777 22.077 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.003 22.117 3.543 1.00 0.00 H new ATOM 184 N PHE A 10 13.275 19.461 3.029 1.00 0.00 N ATOM 185 CA PHE A 10 14.572 18.827 2.896 1.00 0.00 C ATOM 186 C PHE A 10 15.599 19.841 2.388 1.00 0.00 C ATOM 187 O PHE A 10 16.595 20.101 3.058 1.00 0.00 O ATOM 188 CB PHE A 10 14.444 17.607 1.972 1.00 0.00 C ATOM 189 CG PHE A 10 15.758 16.925 1.660 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.571 17.409 0.618 1.00 0.00 C ATOM 191 CD2 PHE A 10 16.202 15.855 2.454 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.845 16.864 0.409 1.00 0.00 C ATOM 193 CE2 PHE A 10 17.462 15.281 2.223 1.00 0.00 C ATOM 194 CZ PHE A 10 18.281 15.792 1.204 1.00 0.00 C ATOM 0 H PHE A 10 12.524 18.943 2.573 1.00 0.00 H new ATOM 0 HA PHE A 10 14.925 18.475 3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.773 16.884 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.979 17.920 1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.212 18.202 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.573 15.473 3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.488 17.266 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.799 14.451 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 10 19.254 15.357 1.030 1.00 0.00 H new ATOM 204 N GLU A 11 15.344 20.419 1.210 1.00 0.00 N ATOM 205 CA GLU A 11 16.221 21.389 0.578 1.00 0.00 C ATOM 206 C GLU A 11 16.497 22.572 1.502 1.00 0.00 C ATOM 207 O GLU A 11 17.646 22.979 1.633 1.00 0.00 O ATOM 208 CB GLU A 11 15.626 21.864 -0.755 1.00 0.00 C ATOM 209 CG GLU A 11 15.656 20.777 -1.842 1.00 0.00 C ATOM 210 CD GLU A 11 17.074 20.381 -2.253 1.00 0.00 C ATOM 211 OE1 GLU A 11 17.849 21.304 -2.584 1.00 0.00 O ATOM 212 OE2 GLU A 11 17.346 19.161 -2.243 1.00 0.00 O ATOM 0 H GLU A 11 14.505 20.217 0.665 1.00 0.00 H new ATOM 0 HA GLU A 11 17.174 20.899 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.596 22.183 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.179 22.736 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.129 19.894 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.116 21.133 -2.719 1.00 0.00 H new ATOM 219 N LYS A 12 15.470 23.137 2.143 1.00 0.00 N ATOM 220 CA LYS A 12 15.656 24.273 3.036 1.00 0.00 C ATOM 221 C LYS A 12 16.679 23.948 4.127 1.00 0.00 C ATOM 222 O LYS A 12 17.541 24.775 4.413 1.00 0.00 O ATOM 223 CB LYS A 12 14.319 24.752 3.630 1.00 0.00 C ATOM 224 CG LYS A 12 13.718 25.936 2.854 1.00 0.00 C ATOM 225 CD LYS A 12 13.261 25.558 1.440 1.00 0.00 C ATOM 226 CE LYS A 12 12.799 26.798 0.667 1.00 0.00 C ATOM 227 NZ LYS A 12 12.347 26.444 -0.690 1.00 0.00 N ATOM 0 H LYS A 12 14.503 22.823 2.057 1.00 0.00 H new ATOM 0 HA LYS A 12 16.054 25.099 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.609 23.925 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.471 25.043 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.869 26.334 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.458 26.734 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.079 25.075 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.447 24.835 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.987 27.285 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.617 27.516 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.040 27.303 -1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.130 26.001 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.551 25.777 -0.628 1.00 0.00 H new ATOM 241 N TYR A 13 16.606 22.759 4.734 1.00 0.00 N ATOM 242 CA TYR A 13 17.553 22.399 5.786 1.00 0.00 C ATOM 243 C TYR A 13 18.915 22.083 5.152 1.00 0.00 C ATOM 244 O TYR A 13 19.925 22.697 5.500 1.00 0.00 O ATOM 245 CB TYR A 13 17.052 21.191 6.593 1.00 0.00 C ATOM 246 CG TYR A 13 15.840 21.344 7.500 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.926 22.405 7.333 1.00 0.00 C ATOM 248 CD2 TYR A 13 15.513 20.293 8.388 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.668 22.362 7.956 1.00 0.00 C ATOM 250 CE2 TYR A 13 14.233 20.224 8.943 1.00 0.00 C ATOM 251 CZ TYR A 13 13.306 21.256 8.736 1.00 0.00 C ATOM 252 OH TYR A 13 12.055 21.176 9.270 1.00 0.00 O ATOM 0 H TYR A 13 15.913 22.043 4.518 1.00 0.00 H new ATOM 0 HA TYR A 13 17.651 23.240 6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 13 16.830 20.394 5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.881 20.845 7.211 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.195 23.255 6.723 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.252 19.545 8.637 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.978 23.184 7.833 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.954 19.367 9.538 1.00 0.00 H new ATOM 0 HH TYR A 13 11.970 20.345 9.782 1.00 0.00 H new ATOM 262 N ALA A 14 18.919 21.125 4.220 1.00 0.00 N ATOM 263 CA ALA A 14 20.095 20.638 3.508 1.00 0.00 C ATOM 264 C ALA A 14 20.932 21.800 2.949 1.00 0.00 C ATOM 265 O ALA A 14 22.159 21.779 2.966 1.00 0.00 O ATOM 266 CB ALA A 14 19.632 19.660 2.411 1.00 0.00 C ATOM 0 H ALA A 14 18.064 20.650 3.932 1.00 0.00 H new ATOM 0 HA ALA A 14 20.753 20.106 4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.500 19.285 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.102 18.825 2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.967 20.177 1.720 1.00 0.00 H new ATOM 272 N ALA A 15 20.276 22.844 2.440 1.00 0.00 N ATOM 273 CA ALA A 15 20.953 24.011 1.894 1.00 0.00 C ATOM 274 C ALA A 15 21.747 24.774 2.957 1.00 0.00 C ATOM 275 O ALA A 15 22.842 25.250 2.663 1.00 0.00 O ATOM 276 CB ALA A 15 19.936 24.937 1.222 1.00 0.00 C ATOM 0 H ALA A 15 19.258 22.900 2.397 1.00 0.00 H new ATOM 0 HA ALA A 15 21.670 23.657 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.450 25.808 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.435 24.402 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.198 25.261 1.956 1.00 0.00 H new ATOM 282 N LYS A 16 21.211 24.914 4.177 1.00 0.00 N ATOM 283 CA LYS A 16 21.888 25.674 5.225 1.00 0.00 C ATOM 284 C LYS A 16 22.910 24.846 6.006 1.00 0.00 C ATOM 285 O LYS A 16 23.919 25.393 6.443 1.00 0.00 O ATOM 286 CB LYS A 16 20.907 26.409 6.148 1.00 0.00 C ATOM 287 CG LYS A 16 19.942 25.460 6.848 1.00 0.00 C ATOM 288 CD LYS A 16 19.219 26.152 8.010 1.00 0.00 C ATOM 289 CE LYS A 16 18.113 25.269 8.600 1.00 0.00 C ATOM 290 NZ LYS A 16 18.624 23.959 9.044 1.00 0.00 N ATOM 0 H LYS A 16 20.316 24.512 4.457 1.00 0.00 H new ATOM 0 HA LYS A 16 22.461 26.442 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.468 26.969 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 16 20.339 27.135 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.209 25.090 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.488 24.594 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.939 26.401 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.788 27.091 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.652 25.782 9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.333 25.119 7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.881 23.457 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.901 23.395 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.451 24.099 9.659 1.00 0.00 H new ATOM 304 N GLU A 17 22.649 23.550 6.207 1.00 0.00 N ATOM 305 CA GLU A 17 23.516 22.678 6.992 1.00 0.00 C ATOM 306 C GLU A 17 23.823 21.378 6.247 1.00 0.00 C ATOM 307 O GLU A 17 23.037 20.911 5.432 1.00 0.00 O ATOM 308 CB GLU A 17 22.820 22.380 8.324 1.00 0.00 C ATOM 309 CG GLU A 17 22.795 23.587 9.267 1.00 0.00 C ATOM 310 CD GLU A 17 21.951 23.289 10.503 1.00 0.00 C ATOM 311 OE1 GLU A 17 22.273 22.294 11.187 1.00 0.00 O ATOM 312 OE2 GLU A 17 20.981 24.048 10.727 1.00 0.00 O ATOM 0 H GLU A 17 21.828 23.079 5.827 1.00 0.00 H new ATOM 0 HA GLU A 17 24.468 23.180 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.798 22.056 8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 17 23.329 21.551 8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.812 23.841 9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.391 24.454 8.745 1.00 0.00 H new ATOM 319 N GLY A 18 24.978 20.782 6.547 1.00 0.00 N ATOM 320 CA GLY A 18 25.404 19.532 5.942 1.00 0.00 C ATOM 321 C GLY A 18 25.863 19.747 4.502 1.00 0.00 C ATOM 322 O GLY A 18 27.060 19.879 4.257 1.00 0.00 O ATOM 0 H GLY A 18 25.644 21.160 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.217 19.100 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 18 24.582 18.816 5.962 1.00 0.00 H new ATOM 326 N ASP A 19 24.918 19.778 3.560 1.00 0.00 N ATOM 327 CA ASP A 19 25.155 19.930 2.128 1.00 0.00 C ATOM 328 C ASP A 19 23.783 19.927 1.448 1.00 0.00 C ATOM 329 O ASP A 19 22.924 19.172 1.896 1.00 0.00 O ATOM 330 CB ASP A 19 26.022 18.764 1.615 1.00 0.00 C ATOM 331 CG ASP A 19 26.030 18.637 0.095 1.00 0.00 C ATOM 332 OD1 ASP A 19 25.052 18.066 -0.438 1.00 0.00 O ATOM 333 OD2 ASP A 19 27.005 19.126 -0.515 1.00 0.00 O ATOM 0 H ASP A 19 23.927 19.694 3.786 1.00 0.00 H new ATOM 0 HA ASP A 19 25.687 20.856 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 19 27.045 18.900 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 19 25.658 17.832 2.048 1.00 0.00 H new ATOM 338 N PRO A 20 23.552 20.728 0.391 1.00 0.00 N ATOM 339 CA PRO A 20 22.268 20.832 -0.298 1.00 0.00 C ATOM 340 C PRO A 20 21.566 19.510 -0.624 1.00 0.00 C ATOM 341 O PRO A 20 20.339 19.487 -0.680 1.00 0.00 O ATOM 342 CB PRO A 20 22.509 21.691 -1.547 1.00 0.00 C ATOM 343 CG PRO A 20 24.032 21.771 -1.670 1.00 0.00 C ATOM 344 CD PRO A 20 24.502 21.640 -0.225 1.00 0.00 C ATOM 0 HA PRO A 20 21.556 21.294 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 20 22.063 21.238 -2.432 1.00 0.00 H new ATOM 0 HB3 PRO A 20 22.067 22.682 -1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 20 24.428 20.972 -2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 20 24.352 22.714 -2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 20 25.518 21.248 -0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 20 24.507 22.606 0.279 1.00 0.00 H new ATOM 352 N ASN A 21 22.304 18.415 -0.839 1.00 0.00 N ATOM 353 CA ASN A 21 21.712 17.121 -1.160 1.00 0.00 C ATOM 354 C ASN A 21 21.629 16.196 0.061 1.00 0.00 C ATOM 355 O ASN A 21 21.473 14.986 -0.108 1.00 0.00 O ATOM 356 CB ASN A 21 22.504 16.472 -2.307 1.00 0.00 C ATOM 357 CG ASN A 21 21.817 15.235 -2.893 1.00 0.00 C ATOM 358 OD1 ASN A 21 20.596 15.126 -2.894 1.00 0.00 O ATOM 359 ND2 ASN A 21 22.598 14.288 -3.406 1.00 0.00 N ATOM 0 H ASN A 21 23.323 18.405 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 21 20.683 17.285 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.651 17.207 -3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.493 16.192 -1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 21 22.183 13.449 -3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.612 14.401 -3.394 1.00 0.00 H new ATOM 366 N GLN A 22 21.726 16.709 1.296 1.00 0.00 N ATOM 367 CA GLN A 22 21.633 15.859 2.478 1.00 0.00 C ATOM 368 C GLN A 22 21.117 16.553 3.702 1.00 0.00 C ATOM 369 O GLN A 22 21.166 17.770 3.792 1.00 0.00 O ATOM 370 CB GLN A 22 23.014 15.393 2.973 1.00 0.00 C ATOM 371 CG GLN A 22 24.057 15.188 1.864 1.00 0.00 C ATOM 372 CD GLN A 22 25.379 14.661 2.407 1.00 0.00 C ATOM 373 OE1 GLN A 22 26.212 15.422 2.887 1.00 0.00 O ATOM 374 NE2 GLN A 22 25.584 13.352 2.339 1.00 0.00 N ATOM 0 H GLN A 22 21.867 17.699 1.495 1.00 0.00 H new ATOM 0 HA GLN A 22 20.974 15.065 2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.397 16.126 3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 22 22.893 14.456 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.666 14.489 1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 22 24.229 16.134 1.350 1.00 0.00 H new ATOM 0 HE21 GLN A 22 24.872 12.745 1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 22 26.454 12.953 2.692 1.00 0.00 H new ATOM 383 N LEU A 23 20.726 15.735 4.680 1.00 0.00 N ATOM 384 CA LEU A 23 20.439 16.229 5.997 1.00 0.00 C ATOM 385 C LEU A 23 21.423 15.537 6.938 1.00 0.00 C ATOM 386 O LEU A 23 21.546 14.311 6.910 1.00 0.00 O ATOM 387 CB LEU A 23 19.010 15.869 6.439 1.00 0.00 C ATOM 388 CG LEU A 23 17.829 16.509 5.702 1.00 0.00 C ATOM 389 CD1 LEU A 23 16.597 15.617 5.865 1.00 0.00 C ATOM 390 CD2 LEU A 23 17.483 17.877 6.269 1.00 0.00 C ATOM 0 H LEU A 23 20.605 14.728 4.569 1.00 0.00 H new ATOM 0 HA LEU A 23 20.528 17.315 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 23 18.902 14.787 6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 23 18.917 16.122 7.495 1.00 0.00 H new ATOM 0 HG LEU A 23 18.114 16.619 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.752 16.065 5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 23 16.802 14.633 5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 23 16.358 15.517 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.641 18.296 5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.216 17.778 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 23 18.344 18.539 6.174 1.00 0.00 H new ATOM 402 N SER A 24 22.123 16.307 7.773 1.00 0.00 N ATOM 403 CA SER A 24 23.032 15.756 8.765 1.00 0.00 C ATOM 404 C SER A 24 22.231 15.440 10.033 1.00 0.00 C ATOM 405 O SER A 24 21.068 15.829 10.140 1.00 0.00 O ATOM 406 CB SER A 24 24.181 16.733 9.042 1.00 0.00 C ATOM 407 OG SER A 24 23.692 17.960 9.549 1.00 0.00 O ATOM 0 H SER A 24 22.072 17.326 7.776 1.00 0.00 H new ATOM 0 HA SER A 24 23.485 14.836 8.395 1.00 0.00 H new ATOM 0 HB2 SER A 24 24.875 16.291 9.757 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.740 16.912 8.124 1.00 0.00 H new ATOM 0 HG SER A 24 23.213 18.439 8.841 1.00 0.00 H new ATOM 413 N LYS A 25 22.844 14.736 10.991 1.00 0.00 N ATOM 414 CA LYS A 25 22.212 14.362 12.256 1.00 0.00 C ATOM 415 C LYS A 25 21.324 15.450 12.867 1.00 0.00 C ATOM 416 O LYS A 25 20.173 15.186 13.205 1.00 0.00 O ATOM 417 CB LYS A 25 23.212 13.830 13.289 1.00 0.00 C ATOM 418 CG LYS A 25 24.535 14.593 13.296 1.00 0.00 C ATOM 419 CD LYS A 25 25.414 14.103 14.453 1.00 0.00 C ATOM 420 CE LYS A 25 26.801 14.755 14.425 1.00 0.00 C ATOM 421 NZ LYS A 25 26.718 16.225 14.465 1.00 0.00 N ATOM 0 H LYS A 25 23.806 14.407 10.906 1.00 0.00 H new ATOM 0 HA LYS A 25 21.546 13.544 11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.763 13.885 14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.408 12.777 13.086 1.00 0.00 H new ATOM 0 HG2 LYS A 25 25.053 14.449 12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 25 24.348 15.662 13.397 1.00 0.00 H new ATOM 0 HD2 LYS A 25 24.926 14.327 15.401 1.00 0.00 H new ATOM 0 HD3 LYS A 25 25.520 13.020 14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 25 27.386 14.401 15.274 1.00 0.00 H new ATOM 0 HE3 LYS A 25 27.329 14.446 13.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 27.518 16.603 15.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 26.752 16.601 13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.825 16.510 14.916 1.00 0.00 H new ATOM 435 N GLU A 26 21.853 16.665 13.018 1.00 0.00 N ATOM 436 CA GLU A 26 21.120 17.771 13.621 1.00 0.00 C ATOM 437 C GLU A 26 19.861 18.102 12.814 1.00 0.00 C ATOM 438 O GLU A 26 18.773 18.272 13.360 1.00 0.00 O ATOM 439 CB GLU A 26 22.026 19.005 13.750 1.00 0.00 C ATOM 440 CG GLU A 26 23.399 18.711 14.378 1.00 0.00 C ATOM 441 CD GLU A 26 23.314 17.933 15.689 1.00 0.00 C ATOM 442 OE1 GLU A 26 22.481 18.324 16.535 1.00 0.00 O ATOM 443 OE2 GLU A 26 24.092 16.962 15.818 1.00 0.00 O ATOM 0 H GLU A 26 22.800 16.906 12.725 1.00 0.00 H new ATOM 0 HA GLU A 26 20.805 17.467 14.619 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.176 19.438 12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.516 19.756 14.353 1.00 0.00 H new ATOM 0 HG2 GLU A 26 24.001 18.145 13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.917 19.653 14.556 1.00 0.00 H new ATOM 450 N GLU A 27 20.013 18.192 11.496 1.00 0.00 N ATOM 451 CA GLU A 27 18.919 18.525 10.603 1.00 0.00 C ATOM 452 C GLU A 27 17.851 17.435 10.661 1.00 0.00 C ATOM 453 O GLU A 27 16.662 17.733 10.775 1.00 0.00 O ATOM 454 CB GLU A 27 19.454 18.664 9.186 1.00 0.00 C ATOM 455 CG GLU A 27 20.546 19.726 9.061 1.00 0.00 C ATOM 456 CD GLU A 27 21.131 19.633 7.665 1.00 0.00 C ATOM 457 OE1 GLU A 27 20.424 20.065 6.736 1.00 0.00 O ATOM 458 OE2 GLU A 27 22.248 19.080 7.559 1.00 0.00 O ATOM 0 H GLU A 27 20.902 18.035 11.021 1.00 0.00 H new ATOM 0 HA GLU A 27 18.469 19.469 10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.850 17.703 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.632 18.916 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.133 20.720 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.321 19.566 9.811 1.00 0.00 H new ATOM 465 N LEU A 28 18.285 16.174 10.588 1.00 0.00 N ATOM 466 CA LEU A 28 17.393 15.030 10.660 1.00 0.00 C ATOM 467 C LEU A 28 16.636 15.102 11.977 1.00 0.00 C ATOM 468 O LEU A 28 15.412 15.078 11.976 1.00 0.00 O ATOM 469 CB LEU A 28 18.181 13.720 10.579 1.00 0.00 C ATOM 470 CG LEU A 28 18.766 13.458 9.190 1.00 0.00 C ATOM 471 CD1 LEU A 28 19.936 12.481 9.303 1.00 0.00 C ATOM 472 CD2 LEU A 28 17.687 12.894 8.252 1.00 0.00 C ATOM 0 H LEU A 28 19.268 15.925 10.477 1.00 0.00 H new ATOM 0 HA LEU A 28 16.699 15.053 9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 28 18.990 13.744 11.309 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.528 12.892 10.854 1.00 0.00 H new ATOM 0 HG LEU A 28 19.125 14.398 8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.352 12.295 8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.706 12.908 9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.586 11.542 9.731 1.00 0.00 H new ATOM 0 HD21 LEU A 28 18.119 12.713 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.305 11.958 8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.871 13.611 8.164 1.00 0.00 H new ATOM 484 N LYS A 29 17.364 15.210 13.093 1.00 0.00 N ATOM 485 CA LYS A 29 16.815 15.333 14.435 1.00 0.00 C ATOM 486 C LYS A 29 15.736 16.417 14.457 1.00 0.00 C ATOM 487 O LYS A 29 14.657 16.221 15.025 1.00 0.00 O ATOM 488 CB LYS A 29 17.960 15.659 15.403 1.00 0.00 C ATOM 489 CG LYS A 29 17.501 16.104 16.794 1.00 0.00 C ATOM 490 CD LYS A 29 16.768 14.967 17.519 1.00 0.00 C ATOM 491 CE LYS A 29 16.740 15.222 19.030 1.00 0.00 C ATOM 492 NZ LYS A 29 15.875 14.252 19.723 1.00 0.00 N ATOM 0 H LYS A 29 18.384 15.214 13.080 1.00 0.00 H new ATOM 0 HA LYS A 29 16.348 14.398 14.745 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.594 14.779 15.507 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.576 16.446 14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.363 16.419 17.382 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.842 16.968 16.705 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.750 14.883 17.140 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.264 14.018 17.314 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.752 15.160 19.430 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.383 16.233 19.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.878 14.452 20.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.904 14.329 19.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.231 13.289 19.558 1.00 0.00 H new ATOM 506 N GLN A 30 16.026 17.573 13.851 1.00 0.00 N ATOM 507 CA GLN A 30 15.044 18.636 13.808 1.00 0.00 C ATOM 508 C GLN A 30 13.817 18.159 13.016 1.00 0.00 C ATOM 509 O GLN A 30 12.730 18.104 13.584 1.00 0.00 O ATOM 510 CB GLN A 30 15.639 19.937 13.251 1.00 0.00 C ATOM 511 CG GLN A 30 16.598 20.609 14.246 1.00 0.00 C ATOM 512 CD GLN A 30 15.903 21.112 15.509 1.00 0.00 C ATOM 513 OE1 GLN A 30 14.692 21.302 15.537 1.00 0.00 O ATOM 514 NE2 GLN A 30 16.665 21.331 16.576 1.00 0.00 N ATOM 0 H GLN A 30 16.914 17.784 13.396 1.00 0.00 H new ATOM 0 HA GLN A 30 14.724 18.872 14.823 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.171 19.724 12.324 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.832 20.627 13.004 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.376 19.899 14.526 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.093 21.446 13.754 1.00 0.00 H new ATOM 0 HE21 GLN A 30 17.670 21.165 16.527 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.244 21.665 17.443 1.00 0.00 H new ATOM 523 N LEU A 31 13.972 17.805 11.728 1.00 0.00 N ATOM 524 CA LEU A 31 12.872 17.293 10.892 1.00 0.00 C ATOM 525 C LEU A 31 11.987 16.268 11.613 1.00 0.00 C ATOM 526 O LEU A 31 10.757 16.349 11.638 1.00 0.00 O ATOM 527 CB LEU A 31 13.449 16.716 9.581 1.00 0.00 C ATOM 528 CG LEU A 31 12.569 16.991 8.347 1.00 0.00 C ATOM 529 CD1 LEU A 31 13.413 16.822 7.082 1.00 0.00 C ATOM 530 CD2 LEU A 31 11.361 16.049 8.274 1.00 0.00 C ATOM 0 H LEU A 31 14.864 17.866 11.237 1.00 0.00 H new ATOM 0 HA LEU A 31 12.215 18.132 10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.439 17.139 9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.577 15.639 9.693 1.00 0.00 H new ATOM 0 HG LEU A 31 12.191 18.010 8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.796 17.015 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.245 17.526 7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.800 15.804 7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.771 16.282 7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.707 15.017 8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.745 16.178 9.164 1.00 0.00 H new ATOM 542 N ILE A 32 12.672 15.301 12.201 1.00 0.00 N ATOM 543 CA ILE A 32 12.142 14.182 12.964 1.00 0.00 C ATOM 544 C ILE A 32 11.121 14.671 13.975 1.00 0.00 C ATOM 545 O ILE A 32 9.945 14.326 13.921 1.00 0.00 O ATOM 546 CB ILE A 32 13.316 13.383 13.577 1.00 0.00 C ATOM 547 CG1 ILE A 32 13.945 12.427 12.545 1.00 0.00 C ATOM 548 CG2 ILE A 32 13.016 12.630 14.877 1.00 0.00 C ATOM 549 CD1 ILE A 32 13.181 11.112 12.358 1.00 0.00 C ATOM 0 H ILE A 32 13.691 15.276 12.154 1.00 0.00 H new ATOM 0 HA ILE A 32 11.600 13.491 12.318 1.00 0.00 H new ATOM 0 HB ILE A 32 14.028 14.158 13.860 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.007 12.938 11.584 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.966 12.200 12.852 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.913 12.108 15.210 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.702 13.338 15.644 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.219 11.907 14.703 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.690 10.498 11.615 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.141 10.576 13.306 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.167 11.325 12.019 1.00 0.00 H new ATOM 561 N GLN A 33 11.595 15.488 14.894 1.00 0.00 N ATOM 562 CA GLN A 33 10.782 16.037 15.969 1.00 0.00 C ATOM 563 C GLN A 33 9.707 16.983 15.435 1.00 0.00 C ATOM 564 O GLN A 33 8.532 16.860 15.768 1.00 0.00 O ATOM 565 CB GLN A 33 11.674 16.809 16.941 1.00 0.00 C ATOM 566 CG GLN A 33 12.655 15.908 17.694 1.00 0.00 C ATOM 567 CD GLN A 33 13.690 16.771 18.395 1.00 0.00 C ATOM 568 OE1 GLN A 33 13.752 16.829 19.617 1.00 0.00 O ATOM 569 NE2 GLN A 33 14.522 17.443 17.607 1.00 0.00 N ATOM 0 H GLN A 33 12.567 15.795 14.919 1.00 0.00 H new ATOM 0 HA GLN A 33 10.292 15.204 16.473 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.233 17.566 16.390 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.047 17.336 17.660 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.121 15.297 18.422 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.144 15.224 17.001 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.437 17.368 16.593 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.246 18.034 18.016 1.00 0.00 H new ATOM 578 N ALA A 34 10.138 17.949 14.626 1.00 0.00 N ATOM 579 CA ALA A 34 9.303 19.006 14.089 1.00 0.00 C ATOM 580 C ALA A 34 8.130 18.517 13.244 1.00 0.00 C ATOM 581 O ALA A 34 7.079 19.156 13.270 1.00 0.00 O ATOM 582 CB ALA A 34 10.174 19.966 13.274 1.00 0.00 C ATOM 0 H ALA A 34 11.109 18.014 14.321 1.00 0.00 H new ATOM 0 HA ALA A 34 8.854 19.511 14.944 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.553 20.764 12.867 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.942 20.396 13.917 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.648 19.422 12.457 1.00 0.00 H new ATOM 588 N GLU A 35 8.301 17.436 12.472 1.00 0.00 N ATOM 589 CA GLU A 35 7.252 16.984 11.565 1.00 0.00 C ATOM 590 C GLU A 35 6.957 15.484 11.547 1.00 0.00 C ATOM 591 O GLU A 35 5.786 15.113 11.581 1.00 0.00 O ATOM 592 CB GLU A 35 7.628 17.419 10.145 1.00 0.00 C ATOM 593 CG GLU A 35 7.812 18.937 10.017 1.00 0.00 C ATOM 594 CD GLU A 35 7.946 19.372 8.561 1.00 0.00 C ATOM 595 OE1 GLU A 35 8.605 18.629 7.802 1.00 0.00 O ATOM 596 OE2 GLU A 35 7.354 20.425 8.233 1.00 0.00 O ATOM 0 H GLU A 35 9.148 16.867 12.461 1.00 0.00 H new ATOM 0 HA GLU A 35 6.337 17.443 11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.551 16.920 9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.852 17.092 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.962 19.446 10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.699 19.243 10.571 1.00 0.00 H new ATOM 603 N PHE A 36 7.978 14.626 11.446 1.00 0.00 N ATOM 604 CA PHE A 36 7.743 13.198 11.237 1.00 0.00 C ATOM 605 C PHE A 36 8.664 12.287 12.049 1.00 0.00 C ATOM 606 O PHE A 36 9.650 11.792 11.503 1.00 0.00 O ATOM 607 CB PHE A 36 7.911 12.904 9.738 1.00 0.00 C ATOM 608 CG PHE A 36 7.000 13.698 8.821 1.00 0.00 C ATOM 609 CD1 PHE A 36 5.632 13.380 8.744 1.00 0.00 C ATOM 610 CD2 PHE A 36 7.529 14.705 7.990 1.00 0.00 C ATOM 611 CE1 PHE A 36 4.820 13.992 7.775 1.00 0.00 C ATOM 612 CE2 PHE A 36 6.702 15.358 7.061 1.00 0.00 C ATOM 613 CZ PHE A 36 5.362 14.963 6.916 1.00 0.00 C ATOM 0 H PHE A 36 8.961 14.893 11.505 1.00 0.00 H new ATOM 0 HA PHE A 36 6.734 12.979 11.586 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.946 13.103 9.458 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.734 11.842 9.570 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.205 12.664 9.431 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.572 14.975 8.067 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.779 13.716 7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.096 16.163 6.459 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.749 15.405 6.145 1.00 0.00 H new ATOM 753 N THR A 45 11.583 3.669 17.115 1.00 0.00 N ATOM 754 CA THR A 45 12.508 4.160 16.127 1.00 0.00 C ATOM 755 C THR A 45 12.413 5.650 15.848 1.00 0.00 C ATOM 756 O THR A 45 11.867 6.072 14.833 1.00 0.00 O ATOM 757 CB THR A 45 12.396 3.368 14.824 1.00 0.00 C ATOM 758 OG1 THR A 45 12.556 1.994 15.099 1.00 0.00 O ATOM 759 CG2 THR A 45 13.494 3.836 13.869 1.00 0.00 C ATOM 0 HA THR A 45 13.492 4.006 16.569 1.00 0.00 H new ATOM 0 HB THR A 45 11.419 3.530 14.368 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.126 1.779 15.953 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.426 3.279 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.371 4.900 13.667 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.470 3.664 14.324 1.00 0.00 H new ATOM 767 N LEU A 46 13.005 6.443 16.730 1.00 0.00 N ATOM 768 CA LEU A 46 13.210 7.843 16.437 1.00 0.00 C ATOM 769 C LEU A 46 14.521 7.912 15.638 1.00 0.00 C ATOM 770 O LEU A 46 14.714 8.854 14.871 1.00 0.00 O ATOM 771 CB LEU A 46 13.258 8.671 17.723 1.00 0.00 C ATOM 772 CG LEU A 46 13.364 10.173 17.394 1.00 0.00 C ATOM 773 CD1 LEU A 46 12.420 10.981 18.291 1.00 0.00 C ATOM 774 CD2 LEU A 46 14.795 10.689 17.604 1.00 0.00 C ATOM 0 H LEU A 46 13.346 6.140 17.642 1.00 0.00 H new ATOM 0 HA LEU A 46 12.389 8.266 15.858 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.363 8.485 18.316 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.111 8.364 18.329 1.00 0.00 H new ATOM 0 HG LEU A 46 13.087 10.298 16.347 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.505 12.040 18.048 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.393 10.653 18.128 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.689 10.826 19.336 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.838 11.751 17.364 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.087 10.540 18.644 1.00 0.00 H new ATOM 0 HD23 LEU A 46 15.478 10.142 16.954 1.00 0.00 H new ATOM 786 N ASP A 47 15.426 6.924 15.819 1.00 0.00 N ATOM 787 CA ASP A 47 16.732 6.927 15.171 1.00 0.00 C ATOM 788 C ASP A 47 17.281 5.627 14.572 1.00 0.00 C ATOM 789 O ASP A 47 18.159 5.720 13.723 1.00 0.00 O ATOM 790 CB ASP A 47 17.736 7.526 16.164 1.00 0.00 C ATOM 791 CG ASP A 47 19.147 7.676 15.602 1.00 0.00 C ATOM 792 OD1 ASP A 47 19.380 8.696 14.919 1.00 0.00 O ATOM 793 OD2 ASP A 47 19.967 6.776 15.881 1.00 0.00 O ATOM 0 H ASP A 47 15.262 6.113 16.416 1.00 0.00 H new ATOM 0 HA ASP A 47 16.582 7.519 14.268 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.377 8.504 16.483 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.774 6.895 17.052 1.00 0.00 H new ATOM 798 N ASP A 48 16.833 4.430 14.952 1.00 0.00 N ATOM 799 CA ASP A 48 17.370 3.197 14.351 1.00 0.00 C ATOM 800 C ASP A 48 17.521 3.297 12.816 1.00 0.00 C ATOM 801 O ASP A 48 18.616 3.127 12.281 1.00 0.00 O ATOM 802 CB ASP A 48 16.536 1.979 14.768 1.00 0.00 C ATOM 803 CG ASP A 48 17.065 0.692 14.140 1.00 0.00 C ATOM 804 OD1 ASP A 48 18.296 0.483 14.214 1.00 0.00 O ATOM 805 OD2 ASP A 48 16.224 -0.064 13.606 1.00 0.00 O ATOM 0 H ASP A 48 16.113 4.283 15.659 1.00 0.00 H new ATOM 0 HA ASP A 48 18.379 3.063 14.741 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.546 1.885 15.854 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.498 2.129 14.471 1.00 0.00 H new ATOM 810 N LEU A 49 16.434 3.602 12.100 1.00 0.00 N ATOM 811 CA LEU A 49 16.478 3.748 10.645 1.00 0.00 C ATOM 812 C LEU A 49 17.404 4.894 10.220 1.00 0.00 C ATOM 813 O LEU A 49 18.159 4.759 9.261 1.00 0.00 O ATOM 814 CB LEU A 49 15.062 3.850 10.053 1.00 0.00 C ATOM 815 CG LEU A 49 14.258 5.086 10.493 1.00 0.00 C ATOM 816 CD1 LEU A 49 14.418 6.266 9.527 1.00 0.00 C ATOM 817 CD2 LEU A 49 12.766 4.744 10.533 1.00 0.00 C ATOM 0 H LEU A 49 15.511 3.753 12.508 1.00 0.00 H new ATOM 0 HA LEU A 49 16.917 2.844 10.224 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.139 3.854 8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.504 2.955 10.330 1.00 0.00 H new ATOM 0 HG LEU A 49 14.641 5.369 11.473 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.830 7.111 9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.468 6.552 9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.069 5.975 8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.200 5.622 10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.437 4.434 9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.598 3.933 11.241 1.00 0.00 H new ATOM 829 N PHE A 50 17.361 6.018 10.942 1.00 0.00 N ATOM 830 CA PHE A 50 18.192 7.196 10.692 1.00 0.00 C ATOM 831 C PHE A 50 19.646 6.722 10.643 1.00 0.00 C ATOM 832 O PHE A 50 20.381 7.028 9.707 1.00 0.00 O ATOM 833 CB PHE A 50 17.913 8.204 11.823 1.00 0.00 C ATOM 834 CG PHE A 50 18.498 9.605 11.824 1.00 0.00 C ATOM 835 CD1 PHE A 50 19.897 9.779 11.790 1.00 0.00 C ATOM 836 CD2 PHE A 50 17.708 10.602 12.434 1.00 0.00 C ATOM 837 CE1 PHE A 50 20.497 10.867 12.446 1.00 0.00 C ATOM 838 CE2 PHE A 50 18.308 11.665 13.130 1.00 0.00 C ATOM 839 CZ PHE A 50 19.705 11.785 13.155 1.00 0.00 C ATOM 0 H PHE A 50 16.731 6.135 11.736 1.00 0.00 H new ATOM 0 HA PHE A 50 17.974 7.694 9.747 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.830 8.317 11.881 1.00 0.00 H new ATOM 0 HB3 PHE A 50 18.234 7.730 12.751 1.00 0.00 H new ATOM 0 HD1 PHE A 50 20.512 9.070 11.255 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.632 10.548 12.365 1.00 0.00 H new ATOM 0 HE1 PHE A 50 21.568 10.998 12.405 1.00 0.00 H new ATOM 0 HE2 PHE A 50 17.694 12.389 13.645 1.00 0.00 H new ATOM 0 HZ PHE A 50 20.170 12.581 13.718 1.00 0.00 H new ATOM 849 N GLN A 51 20.048 5.947 11.652 1.00 0.00 N ATOM 850 CA GLN A 51 21.385 5.396 11.746 1.00 0.00 C ATOM 851 C GLN A 51 21.637 4.428 10.589 1.00 0.00 C ATOM 852 O GLN A 51 22.673 4.519 9.940 1.00 0.00 O ATOM 853 CB GLN A 51 21.570 4.740 13.120 1.00 0.00 C ATOM 854 CG GLN A 51 23.002 4.238 13.336 1.00 0.00 C ATOM 855 CD GLN A 51 23.175 3.623 14.721 1.00 0.00 C ATOM 856 OE1 GLN A 51 23.991 4.077 15.516 1.00 0.00 O ATOM 857 NE2 GLN A 51 22.409 2.579 15.028 1.00 0.00 N ATOM 0 H GLN A 51 19.442 5.687 12.430 1.00 0.00 H new ATOM 0 HA GLN A 51 22.128 6.189 11.659 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.317 5.458 13.900 1.00 0.00 H new ATOM 0 HB3 GLN A 51 20.876 3.905 13.218 1.00 0.00 H new ATOM 0 HG2 GLN A 51 23.248 3.498 12.575 1.00 0.00 H new ATOM 0 HG3 GLN A 51 23.701 5.065 13.214 1.00 0.00 H new ATOM 0 HE21 GLN A 51 21.738 2.221 14.348 1.00 0.00 H new ATOM 0 HE22 GLN A 51 22.493 2.137 15.943 1.00 0.00 H new ATOM 866 N GLU A 52 20.714 3.508 10.296 1.00 0.00 N ATOM 867 CA GLU A 52 20.905 2.600 9.165 1.00 0.00 C ATOM 868 C GLU A 52 21.179 3.385 7.869 1.00 0.00 C ATOM 869 O GLU A 52 21.974 2.955 7.036 1.00 0.00 O ATOM 870 CB GLU A 52 19.695 1.672 9.006 1.00 0.00 C ATOM 871 CG GLU A 52 19.593 0.670 10.163 1.00 0.00 C ATOM 872 CD GLU A 52 18.308 -0.146 10.076 1.00 0.00 C ATOM 873 OE1 GLU A 52 17.295 0.323 10.638 1.00 0.00 O ATOM 874 OE2 GLU A 52 18.358 -1.215 9.431 1.00 0.00 O ATOM 0 H GLU A 52 19.846 3.374 10.814 1.00 0.00 H new ATOM 0 HA GLU A 52 21.779 1.981 9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.783 2.268 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.772 1.132 8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.453 0.001 10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.624 1.203 11.113 1.00 0.00 H new ATOM 881 N LEU A 53 20.521 4.536 7.700 1.00 0.00 N ATOM 882 CA LEU A 53 20.669 5.405 6.537 1.00 0.00 C ATOM 883 C LEU A 53 21.897 6.333 6.612 1.00 0.00 C ATOM 884 O LEU A 53 22.292 6.906 5.594 1.00 0.00 O ATOM 885 CB LEU A 53 19.360 6.183 6.349 1.00 0.00 C ATOM 886 CG LEU A 53 18.146 5.277 6.060 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.867 6.118 6.116 1.00 0.00 C ATOM 888 CD2 LEU A 53 18.238 4.570 4.703 1.00 0.00 C ATOM 0 H LEU A 53 19.856 4.894 8.386 1.00 0.00 H new ATOM 0 HA LEU A 53 20.860 4.783 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.162 6.768 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.481 6.890 5.528 1.00 0.00 H new ATOM 0 HG LEU A 53 18.132 4.498 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.005 5.483 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.766 6.561 7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.919 6.910 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.355 3.947 4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.293 5.314 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.131 3.945 4.678 1.00 0.00 H new ATOM 900 N ASP A 54 22.509 6.489 7.791 1.00 0.00 N ATOM 901 CA ASP A 54 23.693 7.310 8.051 1.00 0.00 C ATOM 902 C ASP A 54 24.921 6.681 7.397 1.00 0.00 C ATOM 903 O ASP A 54 25.781 6.129 8.082 1.00 0.00 O ATOM 904 CB ASP A 54 23.847 7.425 9.576 1.00 0.00 C ATOM 905 CG ASP A 54 25.091 8.171 10.007 1.00 0.00 C ATOM 906 OD1 ASP A 54 25.622 8.916 9.159 1.00 0.00 O ATOM 907 OD2 ASP A 54 25.481 7.988 11.178 1.00 0.00 O ATOM 0 H ASP A 54 22.173 6.021 8.633 1.00 0.00 H new ATOM 0 HA ASP A 54 23.587 8.307 7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 54 22.971 7.930 9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 54 23.867 6.424 10.007 1.00 0.00 H new ATOM 974 N GLU A 60 24.729 11.439 8.633 1.00 0.00 N ATOM 975 CA GLU A 60 24.623 11.908 7.261 1.00 0.00 C ATOM 976 C GLU A 60 23.595 11.131 6.438 1.00 0.00 C ATOM 977 O GLU A 60 23.870 9.996 6.053 1.00 0.00 O ATOM 978 CB GLU A 60 25.994 11.625 6.654 1.00 0.00 C ATOM 979 CG GLU A 60 26.120 12.236 5.250 1.00 0.00 C ATOM 980 CD GLU A 60 27.538 12.174 4.690 1.00 0.00 C ATOM 981 OE1 GLU A 60 28.477 12.506 5.444 1.00 0.00 O ATOM 982 OE2 GLU A 60 27.651 11.824 3.495 1.00 0.00 O ATOM 0 HA GLU A 60 24.315 12.954 7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 60 26.771 12.032 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 60 26.155 10.548 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 60 25.446 11.713 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 60 25.795 13.276 5.283 1.00 0.00 H new ATOM 989 N VAL A 61 22.438 11.716 6.127 1.00 0.00 N ATOM 990 CA VAL A 61 21.446 11.038 5.306 1.00 0.00 C ATOM 991 C VAL A 61 21.166 11.899 4.076 1.00 0.00 C ATOM 992 O VAL A 61 20.395 12.860 4.109 1.00 0.00 O ATOM 993 CB VAL A 61 20.214 10.662 6.144 1.00 0.00 C ATOM 994 CG1 VAL A 61 19.229 9.833 5.321 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.611 9.815 7.364 1.00 0.00 C ATOM 0 H VAL A 61 22.170 12.652 6.431 1.00 0.00 H new ATOM 0 HA VAL A 61 21.816 10.082 4.936 1.00 0.00 H new ATOM 0 HB VAL A 61 19.756 11.598 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.365 9.579 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.902 10.410 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.716 8.918 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.719 9.564 7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.096 8.899 7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.299 10.381 7.992 1.00 0.00 H new ATOM 1005 N SER A 62 21.831 11.531 2.978 1.00 0.00 N ATOM 1006 CA SER A 62 21.690 12.145 1.674 1.00 0.00 C ATOM 1007 C SER A 62 20.264 11.926 1.171 1.00 0.00 C ATOM 1008 O SER A 62 19.619 10.972 1.603 1.00 0.00 O ATOM 1009 CB SER A 62 22.688 11.472 0.735 1.00 0.00 C ATOM 1010 OG SER A 62 23.942 11.327 1.375 1.00 0.00 O ATOM 0 H SER A 62 22.506 10.767 2.983 1.00 0.00 H new ATOM 0 HA SER A 62 21.884 13.217 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.311 10.495 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 62 22.801 12.065 -0.172 1.00 0.00 H new ATOM 0 HG SER A 62 24.573 10.893 0.764 1.00 0.00 H new ATOM 1016 N PHE A 63 19.770 12.777 0.265 1.00 0.00 N ATOM 1017 CA PHE A 63 18.415 12.664 -0.275 1.00 0.00 C ATOM 1018 C PHE A 63 18.089 11.219 -0.657 1.00 0.00 C ATOM 1019 O PHE A 63 17.063 10.667 -0.261 1.00 0.00 O ATOM 1020 CB PHE A 63 18.224 13.574 -1.496 1.00 0.00 C ATOM 1021 CG PHE A 63 16.800 13.543 -2.019 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.780 14.194 -1.298 1.00 0.00 C ATOM 1023 CD2 PHE A 63 16.466 12.732 -3.120 1.00 0.00 C ATOM 1024 CE1 PHE A 63 14.438 14.049 -1.686 1.00 0.00 C ATOM 1025 CE2 PHE A 63 15.122 12.582 -3.504 1.00 0.00 C ATOM 1026 CZ PHE A 63 14.107 13.241 -2.787 1.00 0.00 C ATOM 0 H PHE A 63 20.300 13.562 -0.113 1.00 0.00 H new ATOM 0 HA PHE A 63 17.731 12.983 0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 63 18.489 14.597 -1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 63 18.906 13.264 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 63 16.031 14.806 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 63 17.244 12.224 -3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.660 14.559 -1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.869 11.960 -4.350 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.075 13.126 -3.082 1.00 0.00 H new ATOM 1036 N GLU A 64 18.999 10.616 -1.423 1.00 0.00 N ATOM 1037 CA GLU A 64 18.903 9.260 -1.929 1.00 0.00 C ATOM 1038 C GLU A 64 18.480 8.286 -0.823 1.00 0.00 C ATOM 1039 O GLU A 64 17.575 7.478 -1.031 1.00 0.00 O ATOM 1040 CB GLU A 64 20.230 8.838 -2.583 1.00 0.00 C ATOM 1041 CG GLU A 64 20.646 9.706 -3.790 1.00 0.00 C ATOM 1042 CD GLU A 64 21.287 11.051 -3.436 1.00 0.00 C ATOM 1043 OE1 GLU A 64 21.526 11.286 -2.231 1.00 0.00 O ATOM 1044 OE2 GLU A 64 21.520 11.842 -4.376 1.00 0.00 O ATOM 0 H GLU A 64 19.856 11.085 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 64 18.128 9.230 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.020 8.876 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.148 7.800 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.347 9.138 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.765 9.892 -4.404 1.00 0.00 H new ATOM 1051 N GLU A 65 19.125 8.377 0.346 1.00 0.00 N ATOM 1052 CA GLU A 65 18.852 7.528 1.500 1.00 0.00 C ATOM 1053 C GLU A 65 17.606 8.043 2.235 1.00 0.00 C ATOM 1054 O GLU A 65 16.768 7.250 2.659 1.00 0.00 O ATOM 1055 CB GLU A 65 20.112 7.407 2.386 1.00 0.00 C ATOM 1056 CG GLU A 65 21.121 6.429 1.766 1.00 0.00 C ATOM 1057 CD GLU A 65 21.638 6.888 0.407 1.00 0.00 C ATOM 1058 OE1 GLU A 65 22.125 8.037 0.345 1.00 0.00 O ATOM 1059 OE2 GLU A 65 21.534 6.090 -0.550 1.00 0.00 O ATOM 0 H GLU A 65 19.865 9.058 0.514 1.00 0.00 H new ATOM 0 HA GLU A 65 18.620 6.511 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 65 20.574 8.387 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.831 7.064 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 65 21.964 6.305 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 65 20.652 5.451 1.659 1.00 0.00 H new ATOM 1066 N PHE A 66 17.463 9.366 2.366 1.00 0.00 N ATOM 1067 CA PHE A 66 16.320 10.009 3.013 1.00 0.00 C ATOM 1068 C PHE A 66 15.003 9.480 2.436 1.00 0.00 C ATOM 1069 O PHE A 66 14.040 9.283 3.177 1.00 0.00 O ATOM 1070 CB PHE A 66 16.419 11.533 2.874 1.00 0.00 C ATOM 1071 CG PHE A 66 15.349 12.300 3.625 1.00 0.00 C ATOM 1072 CD1 PHE A 66 15.318 12.271 5.031 1.00 0.00 C ATOM 1073 CD2 PHE A 66 14.381 13.041 2.920 1.00 0.00 C ATOM 1074 CE1 PHE A 66 14.326 12.981 5.730 1.00 0.00 C ATOM 1075 CE2 PHE A 66 13.408 13.774 3.621 1.00 0.00 C ATOM 1076 CZ PHE A 66 13.368 13.728 5.025 1.00 0.00 C ATOM 0 H PHE A 66 18.154 10.031 2.018 1.00 0.00 H new ATOM 0 HA PHE A 66 16.336 9.765 4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.398 11.855 3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 66 16.362 11.794 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 66 16.058 11.702 5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.386 13.046 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.301 12.952 6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.690 14.373 3.080 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.601 14.267 5.562 1.00 0.00 H new ATOM 1086 N GLN A 67 14.964 9.226 1.122 1.00 0.00 N ATOM 1087 CA GLN A 67 13.799 8.641 0.461 1.00 0.00 C ATOM 1088 C GLN A 67 13.265 7.432 1.242 1.00 0.00 C ATOM 1089 O GLN A 67 12.055 7.258 1.341 1.00 0.00 O ATOM 1090 CB GLN A 67 14.161 8.182 -0.955 1.00 0.00 C ATOM 1091 CG GLN A 67 14.418 9.349 -1.917 1.00 0.00 C ATOM 1092 CD GLN A 67 14.908 8.866 -3.278 1.00 0.00 C ATOM 1093 OE1 GLN A 67 14.370 9.253 -4.309 1.00 0.00 O ATOM 1094 NE2 GLN A 67 15.935 8.020 -3.303 1.00 0.00 N ATOM 0 H GLN A 67 15.741 9.422 0.491 1.00 0.00 H new ATOM 0 HA GLN A 67 13.030 9.412 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.050 7.553 -0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.353 7.565 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.500 9.923 -2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.158 10.022 -1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.365 7.714 -2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.292 7.678 -4.195 1.00 0.00 H new ATOM 1103 N VAL A 68 14.149 6.596 1.797 1.00 0.00 N ATOM 1104 CA VAL A 68 13.749 5.412 2.548 1.00 0.00 C ATOM 1105 C VAL A 68 13.012 5.833 3.824 1.00 0.00 C ATOM 1106 O VAL A 68 11.986 5.248 4.174 1.00 0.00 O ATOM 1107 CB VAL A 68 14.978 4.534 2.843 1.00 0.00 C ATOM 1108 CG1 VAL A 68 14.579 3.270 3.616 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.684 4.117 1.544 1.00 0.00 C ATOM 0 H VAL A 68 15.159 6.725 1.736 1.00 0.00 H new ATOM 0 HA VAL A 68 13.060 4.811 1.955 1.00 0.00 H new ATOM 0 HB VAL A 68 15.659 5.131 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.466 2.668 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.117 3.553 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.870 2.691 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.549 3.498 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.993 3.551 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.012 5.007 1.007 1.00 0.00 H new ATOM 1119 N LEU A 69 13.521 6.859 4.514 1.00 0.00 N ATOM 1120 CA LEU A 69 12.895 7.384 5.720 1.00 0.00 C ATOM 1121 C LEU A 69 11.494 7.845 5.328 1.00 0.00 C ATOM 1122 O LEU A 69 10.500 7.379 5.878 1.00 0.00 O ATOM 1123 CB LEU A 69 13.760 8.512 6.317 1.00 0.00 C ATOM 1124 CG LEU A 69 13.261 9.068 7.664 1.00 0.00 C ATOM 1125 CD1 LEU A 69 14.448 9.685 8.414 1.00 0.00 C ATOM 1126 CD2 LEU A 69 12.175 10.138 7.505 1.00 0.00 C ATOM 0 H LEU A 69 14.378 7.345 4.248 1.00 0.00 H new ATOM 0 HA LEU A 69 12.813 6.629 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.776 8.140 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.810 9.330 5.599 1.00 0.00 H new ATOM 0 HG LEU A 69 12.823 8.236 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.107 10.083 9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.205 8.921 8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.876 10.491 7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.865 10.490 8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.570 10.974 6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.317 9.711 6.985 1.00 0.00 H new ATOM 1138 N VAL A 70 11.432 8.752 4.352 1.00 0.00 N ATOM 1139 CA VAL A 70 10.183 9.300 3.833 1.00 0.00 C ATOM 1140 C VAL A 70 9.199 8.189 3.446 1.00 0.00 C ATOM 1141 O VAL A 70 8.016 8.262 3.781 1.00 0.00 O ATOM 1142 CB VAL A 70 10.454 10.250 2.655 1.00 0.00 C ATOM 1143 CG1 VAL A 70 9.148 10.761 2.030 1.00 0.00 C ATOM 1144 CG2 VAL A 70 11.271 11.461 3.120 1.00 0.00 C ATOM 0 H VAL A 70 12.261 9.131 3.895 1.00 0.00 H new ATOM 0 HA VAL A 70 9.714 9.879 4.629 1.00 0.00 H new ATOM 0 HB VAL A 70 11.010 9.682 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.379 11.430 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.565 9.916 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.572 11.301 2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.454 12.123 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.718 12.000 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.223 11.122 3.528 1.00 0.00 H new ATOM 1154 N LYS A 71 9.669 7.156 2.742 1.00 0.00 N ATOM 1155 CA LYS A 71 8.834 6.038 2.327 1.00 0.00 C ATOM 1156 C LYS A 71 8.090 5.460 3.532 1.00 0.00 C ATOM 1157 O LYS A 71 6.890 5.208 3.452 1.00 0.00 O ATOM 1158 CB LYS A 71 9.689 4.981 1.609 1.00 0.00 C ATOM 1159 CG LYS A 71 8.879 3.817 1.015 1.00 0.00 C ATOM 1160 CD LYS A 71 7.793 4.241 0.010 1.00 0.00 C ATOM 1161 CE LYS A 71 8.312 5.134 -1.126 1.00 0.00 C ATOM 1162 NZ LYS A 71 9.415 4.498 -1.869 1.00 0.00 N ATOM 0 H LYS A 71 10.642 7.076 2.446 1.00 0.00 H new ATOM 0 HA LYS A 71 8.082 6.386 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.250 5.465 0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.419 4.580 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.565 3.129 0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.407 3.267 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.342 3.347 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.004 4.771 0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.495 5.359 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.653 6.084 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.679 5.096 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.236 4.383 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.109 3.565 -2.213 1.00 0.00 H new