USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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 40 GLN : amide:sc= 0.839 K(o=2.8,f=-0.67) USER MOD Set 1.2: A 74 SER OG : rot -112:sc= 1.91 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0545 X(o=-0.054,f=-0.059) USER MOD Single : A 26 GLN : amide:sc= 0.824 K(o=0.82,f=-0.78) USER MOD Single : A 28 ASN : amide:sc= -0.248 K(o=-0.25,f=-9.1!) USER MOD Single : A 35 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.12) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc=-0.00733 USER MOD Single : A 57 ASN : amide:sc= -0.0861 K(o=-0.086,f=-1.6!) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0366) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 38:sc= 0.278 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LEU A 8 6.087 2.396 12.675 1.00 0.00 N ATOM 104 CA LEU A 8 4.990 1.809 13.435 1.00 0.00 C ATOM 105 C LEU A 8 4.365 2.829 14.378 1.00 0.00 C ATOM 106 O LEU A 8 5.019 3.321 15.297 1.00 0.00 O ATOM 107 CB LEU A 8 5.489 0.600 14.238 1.00 0.00 C ATOM 108 CG LEU A 8 5.583 -0.720 13.462 1.00 0.00 C ATOM 109 CD1 LEU A 8 6.615 -0.584 12.350 1.00 0.00 C ATOM 110 CD2 LEU A 8 5.954 -1.845 14.417 1.00 0.00 C ATOM 0 HA LEU A 8 4.228 1.484 12.726 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.475 0.835 14.639 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.825 0.453 15.090 1.00 0.00 H new ATOM 0 HG LEU A 8 4.620 -0.956 13.010 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.682 -1.522 11.799 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.316 0.215 11.672 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.587 -0.348 12.783 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.021 -2.783 13.866 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.916 -1.627 14.880 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.191 -1.932 15.190 1.00 0.00 H new ATOM 122 N LEU A 9 3.095 3.143 14.143 1.00 0.00 N ATOM 123 CA LEU A 9 2.381 4.110 14.968 1.00 0.00 C ATOM 124 C LEU A 9 1.251 3.445 15.743 1.00 0.00 C ATOM 125 O LEU A 9 0.617 2.509 15.255 1.00 0.00 O ATOM 126 CB LEU A 9 1.815 5.236 14.093 1.00 0.00 C ATOM 127 CG LEU A 9 2.842 6.010 13.257 1.00 0.00 C ATOM 128 CD1 LEU A 9 2.121 7.010 12.364 1.00 0.00 C ATOM 129 CD2 LEU A 9 3.825 6.712 14.183 1.00 0.00 C ATOM 0 H LEU A 9 2.539 2.742 13.388 1.00 0.00 H new ATOM 0 HA LEU A 9 3.089 4.527 15.684 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.073 4.809 13.419 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.291 5.943 14.737 1.00 0.00 H new ATOM 0 HG LEU A 9 3.400 5.322 12.621 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.851 7.560 11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.439 6.479 11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.556 7.708 12.982 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.555 7.262 13.589 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.285 7.405 14.828 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.340 5.972 14.796 1.00 0.00 H new ATOM 141 N TYR A 10 1.004 3.933 16.954 1.00 0.00 N ATOM 142 CA TYR A 10 -0.047 3.383 17.802 1.00 0.00 C ATOM 143 C TYR A 10 -0.970 4.481 18.315 1.00 0.00 C ATOM 144 O TYR A 10 -0.831 4.943 19.448 1.00 0.00 O ATOM 145 CB TYR A 10 0.559 2.609 18.974 1.00 0.00 C ATOM 146 CG TYR A 10 1.450 1.461 18.552 1.00 0.00 C ATOM 147 CD1 TYR A 10 2.823 1.640 18.477 1.00 0.00 C ATOM 148 CD2 TYR A 10 0.893 0.230 18.239 1.00 0.00 C ATOM 149 CE1 TYR A 10 3.636 0.592 18.092 1.00 0.00 C ATOM 150 CE2 TYR A 10 1.706 -0.818 17.854 1.00 0.00 C ATOM 151 CZ TYR A 10 3.072 -0.640 17.780 1.00 0.00 C ATOM 152 OH TYR A 10 3.882 -1.684 17.395 1.00 0.00 O ATOM 0 H TYR A 10 1.518 4.709 17.371 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.640 2.697 17.197 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.136 3.297 19.592 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.247 2.221 19.597 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.257 2.599 18.720 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.176 0.091 18.296 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.706 0.729 18.034 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.272 -1.777 17.611 1.00 0.00 H new ATOM 0 HH TYR A 10 3.332 -2.475 17.213 1.00 0.00 H new ATOM 162 N ARG A 11 -1.913 4.895 17.476 1.00 0.00 N ATOM 163 CA ARG A 11 -2.800 6.004 17.806 1.00 0.00 C ATOM 164 C ARG A 11 -3.995 5.530 18.624 1.00 0.00 C ATOM 165 O ARG A 11 -4.876 4.841 18.110 1.00 0.00 O ATOM 166 CB ARG A 11 -3.294 6.689 16.541 1.00 0.00 C ATOM 167 CG ARG A 11 -4.287 7.818 16.771 1.00 0.00 C ATOM 168 CD ARG A 11 -4.747 8.414 15.490 1.00 0.00 C ATOM 169 NE ARG A 11 -5.815 9.380 15.695 1.00 0.00 N ATOM 170 CZ ARG A 11 -6.347 10.149 14.724 1.00 0.00 C ATOM 171 NH1 ARG A 11 -5.902 10.052 13.491 1.00 0.00 N ATOM 172 NH2 ARG A 11 -7.316 10.999 15.012 1.00 0.00 N ATOM 0 H ARG A 11 -2.083 4.478 16.561 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.227 6.715 18.402 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.434 7.085 16.000 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.758 5.941 15.898 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.146 7.440 17.326 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.825 8.590 17.386 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.907 8.901 14.994 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.095 7.623 14.826 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.187 9.483 16.639 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.154 9.395 13.269 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.305 10.634 12.756 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.661 11.073 15.969 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.719 11.581 14.278 1.00 0.00 H new ATOM 186 N GLU A 12 -4.019 5.904 19.898 1.00 0.00 N ATOM 187 CA GLU A 12 -5.110 5.523 20.788 1.00 0.00 C ATOM 188 C GLU A 12 -6.191 6.595 20.824 1.00 0.00 C ATOM 189 O GLU A 12 -5.894 7.789 20.864 1.00 0.00 O ATOM 190 CB GLU A 12 -4.581 5.270 22.202 1.00 0.00 C ATOM 191 CG GLU A 12 -3.655 4.068 22.320 1.00 0.00 C ATOM 192 CD GLU A 12 -3.177 3.835 23.727 1.00 0.00 C ATOM 193 OE1 GLU A 12 -3.377 4.693 24.552 1.00 0.00 O ATOM 194 OE2 GLU A 12 -2.610 2.797 23.975 1.00 0.00 O ATOM 0 H GLU A 12 -3.295 6.471 20.338 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.551 4.604 20.401 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.049 6.158 22.542 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.428 5.129 22.874 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.176 3.178 21.966 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.794 4.214 21.668 1.00 0.00 H new ATOM 201 N GLU A 13 -7.447 6.162 20.810 1.00 0.00 N ATOM 202 CA GLU A 13 -8.576 7.085 20.819 1.00 0.00 C ATOM 203 C GLU A 13 -9.625 6.662 21.840 1.00 0.00 C ATOM 204 O GLU A 13 -9.807 5.472 22.100 1.00 0.00 O ATOM 205 CB GLU A 13 -9.208 7.168 19.428 1.00 0.00 C ATOM 206 CG GLU A 13 -8.325 7.822 18.375 1.00 0.00 C ATOM 207 CD GLU A 13 -8.188 9.306 18.565 1.00 0.00 C ATOM 208 OE1 GLU A 13 -8.912 9.854 19.361 1.00 0.00 O ATOM 209 OE2 GLU A 13 -7.357 9.895 17.914 1.00 0.00 O ATOM 0 H GLU A 13 -7.709 5.176 20.792 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.200 8.069 21.101 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.462 6.161 19.097 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.142 7.726 19.499 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.336 7.365 18.403 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.740 7.624 17.387 1.00 0.00 H new ATOM 216 N THR A 14 -10.313 7.642 22.415 1.00 0.00 N ATOM 217 CA THR A 14 -11.358 7.372 23.394 1.00 0.00 C ATOM 218 C THR A 14 -12.729 7.770 22.861 1.00 0.00 C ATOM 219 O THR A 14 -12.950 8.923 22.490 1.00 0.00 O ATOM 220 CB THR A 14 -11.083 8.112 24.717 1.00 0.00 C ATOM 221 OG1 THR A 14 -9.830 7.676 25.259 1.00 0.00 O ATOM 222 CG2 THR A 14 -12.190 7.835 25.723 1.00 0.00 C ATOM 0 H THR A 14 -10.165 8.632 22.219 1.00 0.00 H new ATOM 0 HA THR A 14 -11.353 6.298 23.583 1.00 0.00 H new ATOM 0 HB THR A 14 -11.048 9.183 24.517 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.655 8.148 26.100 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.979 8.366 26.651 1.00 0.00 H new ATOM 0 HG22 THR A 14 -13.143 8.176 25.318 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.242 6.764 25.921 1.00 0.00 H new ATOM 230 N ILE A 15 -13.646 6.809 22.825 1.00 0.00 N ATOM 231 CA ILE A 15 -15.005 7.065 22.364 1.00 0.00 C ATOM 232 C ILE A 15 -15.977 7.148 23.535 1.00 0.00 C ATOM 233 O ILE A 15 -16.089 6.214 24.329 1.00 0.00 O ATOM 234 CB ILE A 15 -15.469 5.968 21.388 1.00 0.00 C ATOM 235 CG1 ILE A 15 -14.546 5.914 20.169 1.00 0.00 C ATOM 236 CG2 ILE A 15 -16.908 6.212 20.960 1.00 0.00 C ATOM 237 CD1 ILE A 15 -14.761 4.700 19.293 1.00 0.00 C ATOM 0 H ILE A 15 -13.472 5.845 23.110 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.997 8.024 21.846 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.421 5.006 21.898 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -14.696 6.813 19.571 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -13.510 5.927 20.508 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -17.220 5.428 20.270 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -17.555 6.203 21.837 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -16.981 7.181 20.465 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.071 4.733 18.450 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.582 3.796 19.874 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -15.786 4.696 18.922 1.00 0.00 H new ATOM 249 N GLU A 16 -16.679 8.272 23.635 1.00 0.00 N ATOM 250 CA GLU A 16 -17.626 8.489 24.722 1.00 0.00 C ATOM 251 C GLU A 16 -19.019 8.791 24.186 1.00 0.00 C ATOM 252 O GLU A 16 -19.240 9.821 23.549 1.00 0.00 O ATOM 253 CB GLU A 16 -17.155 9.635 25.620 1.00 0.00 C ATOM 254 CG GLU A 16 -15.822 9.385 26.312 1.00 0.00 C ATOM 255 CD GLU A 16 -15.415 10.509 27.223 1.00 0.00 C ATOM 256 OE1 GLU A 16 -16.183 11.428 27.380 1.00 0.00 O ATOM 257 OE2 GLU A 16 -14.335 10.449 27.762 1.00 0.00 O ATOM 0 H GLU A 16 -16.610 9.047 22.976 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.675 7.572 25.309 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.074 10.541 25.020 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.915 9.822 26.379 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.885 8.462 26.888 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.049 9.238 25.558 1.00 0.00 H new ATOM 264 N THR A 17 -19.958 7.888 24.448 1.00 0.00 N ATOM 265 CA THR A 17 -21.336 8.065 24.009 1.00 0.00 C ATOM 266 C THR A 17 -22.277 8.221 25.197 1.00 0.00 C ATOM 267 O THR A 17 -22.354 7.346 26.059 1.00 0.00 O ATOM 268 CB THR A 17 -21.797 6.883 23.136 1.00 0.00 C ATOM 269 OG1 THR A 17 -20.972 6.801 21.966 1.00 0.00 O ATOM 270 CG2 THR A 17 -23.248 7.063 22.717 1.00 0.00 C ATOM 0 H THR A 17 -19.788 7.024 24.964 1.00 0.00 H new ATOM 0 HA THR A 17 -21.369 8.977 23.413 1.00 0.00 H new ATOM 0 HB THR A 17 -21.709 5.965 23.717 1.00 0.00 H new ATOM 0 HG1 THR A 17 -21.265 6.048 21.412 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.556 6.218 22.101 1.00 0.00 H new ATOM 0 HG22 THR A 17 -23.879 7.114 23.604 1.00 0.00 H new ATOM 0 HG23 THR A 17 -23.350 7.985 22.145 1.00 0.00 H new ATOM 278 N LYS A 18 -22.992 9.340 25.236 1.00 0.00 N ATOM 279 CA LYS A 18 -23.933 9.610 26.317 1.00 0.00 C ATOM 280 C LYS A 18 -25.125 8.663 26.259 1.00 0.00 C ATOM 281 O LYS A 18 -25.659 8.386 25.186 1.00 0.00 O ATOM 282 CB LYS A 18 -24.413 11.062 26.259 1.00 0.00 C ATOM 283 CG LYS A 18 -23.334 12.093 26.565 1.00 0.00 C ATOM 284 CD LYS A 18 -23.891 13.508 26.508 1.00 0.00 C ATOM 285 CE LYS A 18 -22.810 14.540 26.794 1.00 0.00 C ATOM 286 NZ LYS A 18 -23.332 15.931 26.704 1.00 0.00 N ATOM 0 H LYS A 18 -22.938 10.075 24.531 1.00 0.00 H new ATOM 0 HA LYS A 18 -23.412 9.446 27.261 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -24.816 11.259 25.266 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.232 11.190 26.967 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -22.917 11.904 27.554 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -22.518 11.992 25.850 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.321 13.692 25.524 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.698 13.613 27.233 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -22.400 14.370 27.790 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.991 14.413 26.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.565 16.603 26.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -23.700 16.102 25.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -24.097 16.060 27.397 1.00 0.00 H new ATOM 300 N ILE A 19 -25.537 8.168 27.422 1.00 0.00 N ATOM 301 CA ILE A 19 -26.623 7.198 27.499 1.00 0.00 C ATOM 302 C ILE A 19 -27.898 7.840 28.030 1.00 0.00 C ATOM 303 O ILE A 19 -27.915 8.394 29.129 1.00 0.00 O ATOM 304 CB ILE A 19 -26.234 6.009 28.397 1.00 0.00 C ATOM 305 CG1 ILE A 19 -24.914 5.393 27.926 1.00 0.00 C ATOM 306 CG2 ILE A 19 -27.339 4.965 28.405 1.00 0.00 C ATOM 307 CD1 ILE A 19 -24.952 4.882 26.504 1.00 0.00 C ATOM 0 H ILE A 19 -25.135 8.423 28.324 1.00 0.00 H new ATOM 0 HA ILE A 19 -26.807 6.836 26.488 1.00 0.00 H new ATOM 0 HB ILE A 19 -26.099 6.374 29.415 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -24.124 6.139 28.013 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -24.650 4.571 28.591 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -27.048 4.132 29.044 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -28.258 5.411 28.786 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -27.505 4.603 27.390 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -23.981 4.460 26.243 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -25.718 4.112 26.414 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -25.184 5.705 25.828 1.00 0.00 H new ATOM 319 N ASP A 20 -28.966 7.762 27.243 1.00 0.00 N ATOM 320 CA ASP A 20 -30.244 8.349 27.625 1.00 0.00 C ATOM 321 C ASP A 20 -30.870 7.594 28.791 1.00 0.00 C ATOM 322 O ASP A 20 -30.552 6.429 29.031 1.00 0.00 O ATOM 323 CB ASP A 20 -31.209 8.354 26.437 1.00 0.00 C ATOM 324 CG ASP A 20 -30.808 9.345 25.352 1.00 0.00 C ATOM 325 OD1 ASP A 20 -29.985 10.188 25.621 1.00 0.00 O ATOM 326 OD2 ASP A 20 -31.328 9.249 24.267 1.00 0.00 O ATOM 0 H ASP A 20 -28.971 7.297 26.335 1.00 0.00 H new ATOM 0 HA ASP A 20 -30.055 9.376 27.938 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -31.255 7.353 26.009 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -32.211 8.596 26.791 1.00 0.00 H new ATOM 331 N PHE A 21 -31.761 8.265 29.514 1.00 0.00 N ATOM 332 CA PHE A 21 -32.434 7.658 30.655 1.00 0.00 C ATOM 333 C PHE A 21 -33.948 7.782 30.532 1.00 0.00 C ATOM 334 O PHE A 21 -34.452 8.608 29.771 1.00 0.00 O ATOM 335 CB PHE A 21 -31.969 8.309 31.959 1.00 0.00 C ATOM 336 CG PHE A 21 -32.315 9.767 32.066 1.00 0.00 C ATOM 337 CD1 PHE A 21 -33.541 10.168 32.575 1.00 0.00 C ATOM 338 CD2 PHE A 21 -31.416 10.741 31.656 1.00 0.00 C ATOM 339 CE1 PHE A 21 -33.861 11.509 32.673 1.00 0.00 C ATOM 340 CE2 PHE A 21 -31.733 12.082 31.754 1.00 0.00 C ATOM 341 CZ PHE A 21 -32.957 12.466 32.263 1.00 0.00 C ATOM 0 H PHE A 21 -32.033 9.230 29.329 1.00 0.00 H new ATOM 0 HA PHE A 21 -32.173 6.600 30.668 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -32.415 7.777 32.799 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -30.889 8.194 32.046 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -34.254 9.424 32.899 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -30.457 10.447 31.255 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -34.820 11.807 33.071 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -31.023 12.830 31.432 1.00 0.00 H new ATOM 0 HZ PHE A 21 -33.206 13.514 32.340 1.00 0.00 H new ATOM 351 N GLN A 22 -34.667 6.958 31.286 1.00 0.00 N ATOM 352 CA GLN A 22 -36.124 6.934 31.220 1.00 0.00 C ATOM 353 C GLN A 22 -36.739 7.775 32.331 1.00 0.00 C ATOM 354 O GLN A 22 -36.078 8.097 33.318 1.00 0.00 O ATOM 355 CB GLN A 22 -36.640 5.496 31.305 1.00 0.00 C ATOM 356 CG GLN A 22 -36.147 4.590 30.190 1.00 0.00 C ATOM 357 CD GLN A 22 -36.637 5.033 28.824 1.00 0.00 C ATOM 358 OE1 GLN A 22 -37.840 5.199 28.605 1.00 0.00 O ATOM 359 NE2 GLN A 22 -35.706 5.228 27.897 1.00 0.00 N ATOM 0 H GLN A 22 -34.265 6.297 31.951 1.00 0.00 H new ATOM 0 HA GLN A 22 -36.421 7.362 30.263 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -36.340 5.071 32.263 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -37.730 5.512 31.290 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -35.057 4.574 30.194 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -36.482 3.570 30.380 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -34.723 5.079 28.123 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -35.975 5.527 26.960 1.00 0.00 H new ATOM 368 N GLU A 23 -38.010 8.127 32.165 1.00 0.00 N ATOM 369 CA GLU A 23 -38.720 8.923 33.159 1.00 0.00 C ATOM 370 C GLU A 23 -40.014 8.242 33.586 1.00 0.00 C ATOM 371 O GLU A 23 -40.742 7.694 32.758 1.00 0.00 O ATOM 372 CB GLU A 23 -39.024 10.318 32.607 1.00 0.00 C ATOM 373 CG GLU A 23 -39.722 11.244 33.592 1.00 0.00 C ATOM 374 CD GLU A 23 -39.942 12.626 33.040 1.00 0.00 C ATOM 375 OE1 GLU A 23 -40.649 12.751 32.069 1.00 0.00 O ATOM 376 OE2 GLU A 23 -39.403 13.556 33.591 1.00 0.00 O ATOM 0 H GLU A 23 -38.569 7.873 31.351 1.00 0.00 H new ATOM 0 HA GLU A 23 -38.076 9.017 34.033 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -38.090 10.782 32.290 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -39.647 10.216 31.718 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -40.683 10.812 33.871 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -39.127 11.312 34.503 1.00 0.00 H new ATOM 383 N GLU A 24 -40.296 8.280 34.884 1.00 0.00 N ATOM 384 CA GLU A 24 -41.511 7.679 35.422 1.00 0.00 C ATOM 385 C GLU A 24 -42.072 8.507 36.571 1.00 0.00 C ATOM 386 O GLU A 24 -41.337 8.920 37.469 1.00 0.00 O ATOM 387 CB GLU A 24 -41.234 6.251 35.897 1.00 0.00 C ATOM 388 CG GLU A 24 -42.452 5.525 36.449 1.00 0.00 C ATOM 389 CD GLU A 24 -42.159 4.102 36.836 1.00 0.00 C ATOM 390 OE1 GLU A 24 -41.062 3.656 36.600 1.00 0.00 O ATOM 391 OE2 GLU A 24 -43.034 3.460 37.368 1.00 0.00 O ATOM 0 H GLU A 24 -39.699 8.721 35.584 1.00 0.00 H new ATOM 0 HA GLU A 24 -42.252 7.653 34.623 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -40.830 5.676 35.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -40.464 6.280 36.667 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -42.826 6.063 37.320 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -43.246 5.537 35.702 1.00 0.00 H new ATOM 398 N ILE A 25 -43.379 8.746 36.539 1.00 0.00 N ATOM 399 CA ILE A 25 -44.052 9.469 37.610 1.00 0.00 C ATOM 400 C ILE A 25 -45.006 8.560 38.374 1.00 0.00 C ATOM 401 O ILE A 25 -45.874 7.918 37.783 1.00 0.00 O ATOM 402 CB ILE A 25 -44.828 10.677 37.054 1.00 0.00 C ATOM 403 CG1 ILE A 25 -43.874 11.648 36.353 1.00 0.00 C ATOM 404 CG2 ILE A 25 -45.586 11.382 38.169 1.00 0.00 C ATOM 405 CD1 ILE A 25 -44.575 12.748 35.588 1.00 0.00 C ATOM 0 H ILE A 25 -43.993 8.449 35.781 1.00 0.00 H new ATOM 0 HA ILE A 25 -43.282 9.824 38.295 1.00 0.00 H new ATOM 0 HB ILE A 25 -45.551 10.317 36.322 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -43.217 12.098 37.097 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -43.240 11.087 35.666 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -46.129 12.233 37.758 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -46.292 10.687 38.625 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -44.881 11.731 38.924 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -43.833 13.395 35.119 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -45.211 12.308 34.819 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -45.187 13.335 36.273 1.00 0.00 H new ATOM 417 N GLN A 26 -44.840 8.510 39.692 1.00 0.00 N ATOM 418 CA GLN A 26 -45.644 7.631 40.532 1.00 0.00 C ATOM 419 C GLN A 26 -46.410 8.423 41.583 1.00 0.00 C ATOM 420 O GLN A 26 -45.983 9.502 41.994 1.00 0.00 O ATOM 421 CB GLN A 26 -44.759 6.581 41.211 1.00 0.00 C ATOM 422 CG GLN A 26 -44.046 5.650 40.245 1.00 0.00 C ATOM 423 CD GLN A 26 -43.203 4.611 40.959 1.00 0.00 C ATOM 424 OE1 GLN A 26 -42.892 4.752 42.145 1.00 0.00 O ATOM 425 NE2 GLN A 26 -42.828 3.559 40.241 1.00 0.00 N ATOM 0 H GLN A 26 -44.155 9.069 40.201 1.00 0.00 H new ATOM 0 HA GLN A 26 -46.366 7.126 39.890 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -44.015 7.090 41.824 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -45.374 5.985 41.886 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -44.783 5.148 39.618 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -43.410 6.237 39.582 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -43.108 3.483 39.263 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -42.260 2.827 40.667 1.00 0.00 H new ATOM 434 N GLU A 27 -47.543 7.881 42.016 1.00 0.00 N ATOM 435 CA GLU A 27 -48.379 8.544 43.010 1.00 0.00 C ATOM 436 C GLU A 27 -47.948 8.178 44.424 1.00 0.00 C ATOM 437 O GLU A 27 -47.491 7.063 44.675 1.00 0.00 O ATOM 438 CB GLU A 27 -49.850 8.174 42.803 1.00 0.00 C ATOM 439 CG GLU A 27 -50.447 8.681 41.498 1.00 0.00 C ATOM 440 CD GLU A 27 -51.863 8.222 41.286 1.00 0.00 C ATOM 441 OE1 GLU A 27 -52.232 7.218 41.847 1.00 0.00 O ATOM 442 OE2 GLU A 27 -52.576 8.876 40.562 1.00 0.00 O ATOM 0 H GLU A 27 -47.904 6.983 41.694 1.00 0.00 H new ATOM 0 HA GLU A 27 -48.259 9.620 42.882 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -49.947 7.089 42.836 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -50.433 8.572 43.634 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -50.418 9.771 41.490 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -49.831 8.340 40.666 1.00 0.00 H new ATOM 449 N ASN A 28 -48.097 9.124 45.346 1.00 0.00 N ATOM 450 CA ASN A 28 -47.730 8.900 46.739 1.00 0.00 C ATOM 451 C ASN A 28 -48.792 9.449 47.683 1.00 0.00 C ATOM 452 O ASN A 28 -48.841 10.651 47.945 1.00 0.00 O ATOM 453 CB ASN A 28 -46.376 9.516 47.041 1.00 0.00 C ATOM 454 CG ASN A 28 -45.863 9.144 48.404 1.00 0.00 C ATOM 455 OD1 ASN A 28 -46.591 8.564 49.218 1.00 0.00 O ATOM 456 ND2 ASN A 28 -44.623 9.467 48.670 1.00 0.00 N ATOM 0 H ASN A 28 -48.470 10.054 45.153 1.00 0.00 H new ATOM 0 HA ASN A 28 -47.663 7.824 46.899 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -45.658 9.194 46.286 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -46.450 10.601 46.968 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -44.221 9.240 49.580 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -44.059 9.945 47.968 1.00 0.00 H new ATOM 463 N PRO A 29 -49.640 8.562 48.192 1.00 0.00 N ATOM 464 CA PRO A 29 -50.743 8.965 49.056 1.00 0.00 C ATOM 465 C PRO A 29 -50.234 9.669 50.308 1.00 0.00 C ATOM 466 O PRO A 29 -50.951 10.457 50.924 1.00 0.00 O ATOM 467 CB PRO A 29 -51.421 7.634 49.393 1.00 0.00 C ATOM 468 CG PRO A 29 -51.098 6.755 48.233 1.00 0.00 C ATOM 469 CD PRO A 29 -49.688 7.131 47.861 1.00 0.00 C ATOM 0 HA PRO A 29 -51.420 9.679 48.587 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -51.040 7.218 50.326 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -52.498 7.755 49.514 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -51.171 5.701 48.501 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -51.786 6.922 47.404 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -48.953 6.559 48.427 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -49.486 6.952 46.805 1.00 0.00 H new ATOM 477 N ASP A 30 -48.992 9.379 50.679 1.00 0.00 N ATOM 478 CA ASP A 30 -48.414 9.915 51.905 1.00 0.00 C ATOM 479 C ASP A 30 -48.142 11.409 51.779 1.00 0.00 C ATOM 480 O ASP A 30 -47.997 12.110 52.780 1.00 0.00 O ATOM 481 CB ASP A 30 -47.116 9.182 52.252 1.00 0.00 C ATOM 482 CG ASP A 30 -47.347 7.741 52.687 1.00 0.00 C ATOM 483 OD1 ASP A 30 -48.463 7.411 53.012 1.00 0.00 O ATOM 484 OD2 ASP A 30 -46.406 6.984 52.689 1.00 0.00 O ATOM 0 H ASP A 30 -48.366 8.775 50.147 1.00 0.00 H new ATOM 0 HA ASP A 30 -49.138 9.761 52.706 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -46.456 9.193 51.385 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -46.603 9.719 53.050 1.00 0.00 H new ATOM 489 N LEU A 31 -48.075 11.890 50.542 1.00 0.00 N ATOM 490 CA LEU A 31 -47.891 13.313 50.283 1.00 0.00 C ATOM 491 C LEU A 31 -49.225 14.002 50.024 1.00 0.00 C ATOM 492 O LEU A 31 -50.169 13.384 49.531 1.00 0.00 O ATOM 493 CB LEU A 31 -46.961 13.517 49.080 1.00 0.00 C ATOM 494 CG LEU A 31 -45.542 12.955 49.234 1.00 0.00 C ATOM 495 CD1 LEU A 31 -44.779 13.139 47.929 1.00 0.00 C ATOM 496 CD2 LEU A 31 -44.838 13.660 50.384 1.00 0.00 C ATOM 0 H LEU A 31 -48.145 11.315 49.703 1.00 0.00 H new ATOM 0 HA LEU A 31 -47.440 13.759 51.169 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -47.421 13.057 48.206 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -46.889 14.585 48.877 1.00 0.00 H new ATOM 0 HG LEU A 31 -45.585 11.890 49.460 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -43.771 12.740 48.038 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -45.295 12.609 47.128 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -44.725 14.200 47.686 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -43.830 13.260 50.493 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -44.784 14.729 50.177 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -45.395 13.496 51.307 1.00 0.00 H new ATOM 508 N ALA A 32 -49.297 15.286 50.358 1.00 0.00 N ATOM 509 CA ALA A 32 -50.504 16.071 50.128 1.00 0.00 C ATOM 510 C ALA A 32 -50.826 16.163 48.642 1.00 0.00 C ATOM 511 O ALA A 32 -49.928 16.283 47.808 1.00 0.00 O ATOM 512 CB ALA A 32 -50.351 17.463 50.723 1.00 0.00 C ATOM 0 H ALA A 32 -48.533 15.806 50.789 1.00 0.00 H new ATOM 0 HA ALA A 32 -51.334 15.565 50.622 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -51.260 18.037 50.543 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -50.178 17.383 51.796 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -49.505 17.967 50.256 1.00 0.00 H new ATOM 518 N GLU A 33 -52.112 16.106 48.316 1.00 0.00 N ATOM 519 CA GLU A 33 -52.550 16.075 46.925 1.00 0.00 C ATOM 520 C GLU A 33 -51.934 17.218 46.128 1.00 0.00 C ATOM 521 O GLU A 33 -52.114 18.389 46.463 1.00 0.00 O ATOM 522 CB GLU A 33 -54.076 16.149 46.844 1.00 0.00 C ATOM 523 CG GLU A 33 -54.639 16.009 45.437 1.00 0.00 C ATOM 524 CD GLU A 33 -56.141 16.071 45.398 1.00 0.00 C ATOM 525 OE1 GLU A 33 -56.736 16.244 46.435 1.00 0.00 O ATOM 526 OE2 GLU A 33 -56.693 15.944 44.331 1.00 0.00 O ATOM 0 H GLU A 33 -52.871 16.080 48.997 1.00 0.00 H new ATOM 0 HA GLU A 33 -52.214 15.133 46.491 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -54.499 15.364 47.471 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -54.404 17.102 47.260 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -54.231 16.800 44.808 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -54.308 15.061 45.012 1.00 0.00 H new ATOM 533 N GLY A 34 -51.205 16.871 45.073 1.00 0.00 N ATOM 534 CA GLY A 34 -50.628 17.868 44.179 1.00 0.00 C ATOM 535 C GLY A 34 -49.144 18.067 44.460 1.00 0.00 C ATOM 536 O GLY A 34 -48.437 18.712 43.686 1.00 0.00 O ATOM 0 H GLY A 34 -50.999 15.906 44.816 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -50.766 17.555 43.144 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -51.154 18.815 44.299 1.00 0.00 H new ATOM 540 N THR A 35 -48.678 17.508 45.572 1.00 0.00 N ATOM 541 CA THR A 35 -47.282 17.645 45.971 1.00 0.00 C ATOM 542 C THR A 35 -46.355 16.965 44.972 1.00 0.00 C ATOM 543 O THR A 35 -46.574 15.816 44.589 1.00 0.00 O ATOM 544 CB THR A 35 -47.048 17.061 47.376 1.00 0.00 C ATOM 545 OG1 THR A 35 -47.840 17.776 48.333 1.00 0.00 O ATOM 546 CG2 THR A 35 -45.580 17.167 47.760 1.00 0.00 C ATOM 0 H THR A 35 -49.247 16.955 46.213 1.00 0.00 H new ATOM 0 HA THR A 35 -47.054 18.711 45.991 1.00 0.00 H new ATOM 0 HB THR A 35 -47.337 16.010 47.368 1.00 0.00 H new ATOM 0 HG1 THR A 35 -48.787 17.563 48.198 1.00 0.00 H new ATOM 0 HG21 THR A 35 -45.433 16.749 48.756 1.00 0.00 H new ATOM 0 HG22 THR A 35 -44.975 16.613 47.042 1.00 0.00 H new ATOM 0 HG23 THR A 35 -45.278 18.214 47.758 1.00 0.00 H new ATOM 554 N VAL A 36 -45.317 17.682 44.554 1.00 0.00 N ATOM 555 CA VAL A 36 -44.316 17.126 43.651 1.00 0.00 C ATOM 556 C VAL A 36 -42.977 16.950 44.355 1.00 0.00 C ATOM 557 O VAL A 36 -42.401 17.912 44.863 1.00 0.00 O ATOM 558 CB VAL A 36 -44.133 18.042 42.427 1.00 0.00 C ATOM 559 CG1 VAL A 36 -43.057 17.489 41.504 1.00 0.00 C ATOM 560 CG2 VAL A 36 -45.454 18.188 41.687 1.00 0.00 C ATOM 0 H VAL A 36 -45.147 18.650 44.827 1.00 0.00 H new ATOM 0 HA VAL A 36 -44.670 16.148 43.325 1.00 0.00 H new ATOM 0 HB VAL A 36 -43.813 19.027 42.767 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -42.941 18.149 40.644 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -42.112 17.426 42.043 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -43.346 16.495 41.162 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -45.317 18.837 40.822 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -45.795 17.208 41.354 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -46.198 18.624 42.354 1.00 0.00 H new ATOM 570 N ARG A 37 -42.485 15.716 44.382 1.00 0.00 N ATOM 571 CA ARG A 37 -41.210 15.412 45.020 1.00 0.00 C ATOM 572 C ARG A 37 -40.400 14.424 44.190 1.00 0.00 C ATOM 573 O ARG A 37 -40.838 13.300 43.945 1.00 0.00 O ATOM 574 CB ARG A 37 -41.430 14.840 46.412 1.00 0.00 C ATOM 575 CG ARG A 37 -40.160 14.579 47.205 1.00 0.00 C ATOM 576 CD ARG A 37 -40.457 14.181 48.605 1.00 0.00 C ATOM 577 NE ARG A 37 -41.024 12.844 48.679 1.00 0.00 N ATOM 578 CZ ARG A 37 -41.243 12.168 49.824 1.00 0.00 C ATOM 579 NH1 ARG A 37 -40.939 12.717 50.979 1.00 0.00 N ATOM 580 NH2 ARG A 37 -41.764 10.954 49.786 1.00 0.00 N ATOM 0 H ARG A 37 -42.951 14.909 43.968 1.00 0.00 H new ATOM 0 HA ARG A 37 -40.652 16.345 45.097 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -42.058 15.529 46.977 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -41.983 13.905 46.321 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -39.582 13.793 46.718 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -39.541 15.476 47.205 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -39.542 14.221 49.196 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -41.152 14.895 49.046 1.00 0.00 H new ATOM 0 HE ARG A 37 -41.273 12.386 47.803 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -40.538 13.654 51.008 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -41.105 12.206 51.846 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -42.000 10.528 48.890 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -41.930 10.443 50.653 1.00 0.00 H new ATOM 594 N VAL A 38 -39.217 14.850 43.760 1.00 0.00 N ATOM 595 CA VAL A 38 -38.354 14.010 42.938 1.00 0.00 C ATOM 596 C VAL A 38 -37.705 12.909 43.767 1.00 0.00 C ATOM 597 O VAL A 38 -37.009 13.183 44.744 1.00 0.00 O ATOM 598 CB VAL A 38 -37.257 14.863 42.273 1.00 0.00 C ATOM 599 CG1 VAL A 38 -36.304 13.980 41.480 1.00 0.00 C ATOM 600 CG2 VAL A 38 -37.891 15.915 41.376 1.00 0.00 C ATOM 0 H VAL A 38 -38.834 15.772 43.967 1.00 0.00 H new ATOM 0 HA VAL A 38 -38.974 13.548 42.170 1.00 0.00 H new ATOM 0 HB VAL A 38 -36.682 15.368 43.049 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -35.535 14.599 41.017 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -35.835 13.258 42.149 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -36.858 13.450 40.706 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -37.109 16.514 40.909 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -38.483 15.425 40.603 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -38.536 16.561 41.972 1.00 0.00 H new ATOM 610 N LYS A 39 -37.937 11.663 43.370 1.00 0.00 N ATOM 611 CA LYS A 39 -37.372 10.517 44.073 1.00 0.00 C ATOM 612 C LYS A 39 -35.977 10.188 43.559 1.00 0.00 C ATOM 613 O LYS A 39 -35.071 9.894 44.339 1.00 0.00 O ATOM 614 CB LYS A 39 -38.286 9.298 43.932 1.00 0.00 C ATOM 615 CG LYS A 39 -37.793 8.055 44.660 1.00 0.00 C ATOM 616 CD LYS A 39 -38.816 6.932 44.590 1.00 0.00 C ATOM 617 CE LYS A 39 -38.331 5.693 45.329 1.00 0.00 C ATOM 618 NZ LYS A 39 -39.329 4.590 45.281 1.00 0.00 N ATOM 0 H LYS A 39 -38.513 11.420 42.564 1.00 0.00 H new ATOM 0 HA LYS A 39 -37.293 10.780 45.128 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -39.276 9.556 44.308 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -38.398 9.064 42.873 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -36.853 7.722 44.220 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -37.588 8.299 45.702 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -39.759 7.269 45.021 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -39.013 6.682 43.548 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -37.393 5.353 44.890 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -38.123 5.949 46.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -38.960 3.765 45.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -40.216 4.905 45.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -39.509 4.328 44.291 1.00 0.00 H new ATOM 632 N GLN A 40 -35.810 10.240 42.242 1.00 0.00 N ATOM 633 CA GLN A 40 -34.517 9.972 41.622 1.00 0.00 C ATOM 634 C GLN A 40 -34.203 10.996 40.539 1.00 0.00 C ATOM 635 O GLN A 40 -34.993 11.200 39.617 1.00 0.00 O ATOM 636 CB GLN A 40 -34.487 8.560 41.032 1.00 0.00 C ATOM 637 CG GLN A 40 -33.148 8.163 40.434 1.00 0.00 C ATOM 638 CD GLN A 40 -33.113 6.707 40.009 1.00 0.00 C ATOM 639 OE1 GLN A 40 -33.926 5.895 40.458 1.00 0.00 O ATOM 640 NE2 GLN A 40 -32.169 6.369 39.139 1.00 0.00 N ATOM 0 H GLN A 40 -36.555 10.466 41.582 1.00 0.00 H new ATOM 0 HA GLN A 40 -33.754 10.049 42.397 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -34.749 7.846 41.813 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -35.253 8.484 40.261 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -32.936 8.795 39.572 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -32.359 8.345 41.164 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -31.517 7.074 38.794 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -32.095 5.404 38.816 1.00 0.00 H new ATOM 649 N GLU A 41 -33.045 11.637 40.655 1.00 0.00 N ATOM 650 CA GLU A 41 -32.643 12.670 39.708 1.00 0.00 C ATOM 651 C GLU A 41 -32.252 12.065 38.366 1.00 0.00 C ATOM 652 O GLU A 41 -31.506 11.087 38.309 1.00 0.00 O ATOM 653 CB GLU A 41 -31.476 13.484 40.271 1.00 0.00 C ATOM 654 CG GLU A 41 -31.067 14.673 39.413 1.00 0.00 C ATOM 655 CD GLU A 41 -29.968 15.491 40.032 1.00 0.00 C ATOM 656 OE1 GLU A 41 -29.458 15.091 41.050 1.00 0.00 O ATOM 657 OE2 GLU A 41 -29.639 16.517 39.485 1.00 0.00 O ATOM 0 H GLU A 41 -32.368 11.459 41.397 1.00 0.00 H new ATOM 0 HA GLU A 41 -33.497 13.329 39.551 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -31.745 13.844 41.264 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -30.615 12.826 40.393 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -30.741 14.315 38.437 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -31.936 15.309 39.245 1.00 0.00 H new ATOM 664 N GLY A 42 -32.760 12.651 37.287 1.00 0.00 N ATOM 665 CA GLY A 42 -32.439 12.191 35.942 1.00 0.00 C ATOM 666 C GLY A 42 -31.022 12.586 35.548 1.00 0.00 C ATOM 667 O GLY A 42 -30.675 13.767 35.542 1.00 0.00 O ATOM 0 H GLY A 42 -33.397 13.447 37.319 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -32.545 11.107 35.891 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -33.148 12.615 35.231 1.00 0.00 H new ATOM 671 N LYS A 43 -30.205 11.591 35.218 1.00 0.00 N ATOM 672 CA LYS A 43 -28.836 11.836 34.780 1.00 0.00 C ATOM 673 C LYS A 43 -28.467 10.946 33.600 1.00 0.00 C ATOM 674 O LYS A 43 -28.879 9.788 33.532 1.00 0.00 O ATOM 675 CB LYS A 43 -27.857 11.613 35.934 1.00 0.00 C ATOM 676 CG LYS A 43 -28.063 12.544 37.122 1.00 0.00 C ATOM 677 CD LYS A 43 -27.014 12.306 38.198 1.00 0.00 C ATOM 678 CE LYS A 43 -27.234 13.216 39.397 1.00 0.00 C ATOM 679 NZ LYS A 43 -26.211 12.998 40.456 1.00 0.00 N ATOM 0 H LYS A 43 -30.468 10.606 35.246 1.00 0.00 H new ATOM 0 HA LYS A 43 -28.770 12.875 34.456 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -27.946 10.582 36.276 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -26.840 11.738 35.561 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -28.015 13.580 36.787 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.058 12.389 37.540 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -27.049 11.265 38.518 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -26.020 12.480 37.785 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -27.205 14.256 39.073 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -28.227 13.038 39.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -26.397 13.637 41.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.255 12.012 40.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -25.265 13.192 40.070 1.00 0.00 H new ATOM 693 N LEU A 44 -27.689 11.493 32.673 1.00 0.00 N ATOM 694 CA LEU A 44 -27.209 10.730 31.528 1.00 0.00 C ATOM 695 C LEU A 44 -26.040 9.832 31.915 1.00 0.00 C ATOM 696 O LEU A 44 -25.238 10.180 32.781 1.00 0.00 O ATOM 697 CB LEU A 44 -26.782 11.678 30.400 1.00 0.00 C ATOM 698 CG LEU A 44 -27.903 12.520 29.778 1.00 0.00 C ATOM 699 CD1 LEU A 44 -27.300 13.559 28.844 1.00 0.00 C ATOM 700 CD2 LEU A 44 -28.868 11.609 29.034 1.00 0.00 C ATOM 0 H LEU A 44 -27.377 12.464 32.693 1.00 0.00 H new ATOM 0 HA LEU A 44 -28.027 10.099 31.180 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -26.018 12.353 30.787 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -26.316 11.088 29.611 1.00 0.00 H new ATOM 0 HG LEU A 44 -28.456 13.041 30.560 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -28.097 14.157 28.402 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -26.629 14.208 29.406 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -26.742 13.057 28.053 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -29.665 12.207 28.592 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -28.333 11.078 28.247 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -29.298 10.889 29.730 1.00 0.00 H new ATOM 712 N GLY A 45 -25.950 8.675 31.267 1.00 0.00 N ATOM 713 CA GLY A 45 -24.804 7.790 31.437 1.00 0.00 C ATOM 714 C GLY A 45 -23.739 8.060 30.381 1.00 0.00 C ATOM 715 O GLY A 45 -23.755 9.099 29.721 1.00 0.00 O ATOM 0 H GLY A 45 -26.658 8.329 30.619 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -24.378 7.929 32.431 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -25.130 6.752 31.372 1.00 0.00 H new ATOM 719 N LYS A 46 -22.814 7.118 30.227 1.00 0.00 N ATOM 720 CA LYS A 46 -21.754 7.241 29.234 1.00 0.00 C ATOM 721 C LYS A 46 -21.091 5.896 28.967 1.00 0.00 C ATOM 722 O LYS A 46 -20.640 5.221 29.892 1.00 0.00 O ATOM 723 CB LYS A 46 -20.709 8.261 29.689 1.00 0.00 C ATOM 724 CG LYS A 46 -19.570 8.479 28.702 1.00 0.00 C ATOM 725 CD LYS A 46 -18.569 9.496 29.229 1.00 0.00 C ATOM 726 CE LYS A 46 -19.111 10.914 29.126 1.00 0.00 C ATOM 727 NZ LYS A 46 -18.065 11.932 29.414 1.00 0.00 N ATOM 0 H LYS A 46 -22.778 6.260 30.778 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.206 7.588 28.305 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -21.205 9.215 29.869 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -20.291 7.934 30.641 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.064 7.532 28.512 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -19.973 8.822 27.749 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.332 9.270 30.269 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.639 9.419 28.666 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -19.511 11.078 28.125 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.939 11.037 29.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -18.462 12.884 29.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.737 11.825 30.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.263 11.799 28.765 1.00 0.00 H new ATOM 741 N LYS A 47 -21.035 5.512 27.696 1.00 0.00 N ATOM 742 CA LYS A 47 -20.300 4.321 27.288 1.00 0.00 C ATOM 743 C LYS A 47 -18.920 4.681 26.752 1.00 0.00 C ATOM 744 O LYS A 47 -18.797 5.363 25.735 1.00 0.00 O ATOM 745 CB LYS A 47 -21.086 3.542 26.232 1.00 0.00 C ATOM 746 CG LYS A 47 -20.425 2.245 25.785 1.00 0.00 C ATOM 747 CD LYS A 47 -21.274 1.519 24.752 1.00 0.00 C ATOM 748 CE LYS A 47 -20.608 0.230 24.293 1.00 0.00 C ATOM 749 NZ LYS A 47 -21.416 -0.478 23.264 1.00 0.00 N ATOM 0 H LYS A 47 -21.490 6.009 26.930 1.00 0.00 H new ATOM 0 HA LYS A 47 -20.170 3.692 28.169 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -22.075 3.313 26.628 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -21.231 4.180 25.361 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.443 2.461 25.365 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.267 1.599 26.648 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.252 1.294 25.176 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.441 2.170 23.894 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.622 0.456 23.888 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.458 -0.426 25.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.927 -1.350 22.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.348 -0.717 23.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.538 0.137 22.435 1.00 0.00 H new ATOM 763 N VAL A 48 -17.883 4.220 27.444 1.00 0.00 N ATOM 764 CA VAL A 48 -16.511 4.550 27.079 1.00 0.00 C ATOM 765 C VAL A 48 -15.830 3.379 26.381 1.00 0.00 C ATOM 766 O VAL A 48 -15.777 2.271 26.915 1.00 0.00 O ATOM 767 CB VAL A 48 -15.703 4.937 28.332 1.00 0.00 C ATOM 768 CG1 VAL A 48 -14.260 5.245 27.961 1.00 0.00 C ATOM 769 CG2 VAL A 48 -16.351 6.131 29.017 1.00 0.00 C ATOM 0 H VAL A 48 -17.968 3.616 28.262 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.545 5.395 26.391 1.00 0.00 H new ATOM 0 HB VAL A 48 -15.701 4.096 29.026 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.704 5.517 28.858 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.806 4.365 27.505 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -14.235 6.074 27.254 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -15.775 6.399 29.902 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.375 6.976 28.329 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.369 5.874 29.311 1.00 0.00 H new ATOM 779 N GLU A 49 -15.310 3.631 25.185 1.00 0.00 N ATOM 780 CA GLU A 49 -14.547 2.627 24.454 1.00 0.00 C ATOM 781 C GLU A 49 -13.196 3.175 24.013 1.00 0.00 C ATOM 782 O GLU A 49 -13.124 4.075 23.176 1.00 0.00 O ATOM 783 CB GLU A 49 -15.334 2.141 23.235 1.00 0.00 C ATOM 784 CG GLU A 49 -14.627 1.070 22.416 1.00 0.00 C ATOM 785 CD GLU A 49 -15.466 0.554 21.280 1.00 0.00 C ATOM 786 OE1 GLU A 49 -16.602 0.949 21.178 1.00 0.00 O ATOM 787 OE2 GLU A 49 -14.969 -0.237 20.513 1.00 0.00 O ATOM 0 H GLU A 49 -15.403 4.524 24.701 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.374 1.787 25.126 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.295 1.750 23.570 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.545 2.994 22.590 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.698 1.478 22.019 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.357 0.240 23.068 1.00 0.00 H new ATOM 794 N ILE A 50 -12.127 2.627 24.580 1.00 0.00 N ATOM 795 CA ILE A 50 -10.775 3.050 24.235 1.00 0.00 C ATOM 796 C ILE A 50 -10.102 2.044 23.311 1.00 0.00 C ATOM 797 O ILE A 50 -9.987 0.864 23.641 1.00 0.00 O ATOM 798 CB ILE A 50 -9.919 3.239 25.501 1.00 0.00 C ATOM 799 CG1 ILE A 50 -10.555 4.279 26.426 1.00 0.00 C ATOM 800 CG2 ILE A 50 -8.502 3.649 25.129 1.00 0.00 C ATOM 801 CD1 ILE A 50 -9.928 4.340 27.800 1.00 0.00 C ATOM 0 H ILE A 50 -12.171 1.888 25.282 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.856 4.004 23.714 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.873 2.289 26.033 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.480 5.261 25.959 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.617 4.057 26.531 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.911 3.778 26.036 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.050 2.875 24.509 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.528 4.588 24.576 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.433 5.100 28.397 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.027 3.371 28.288 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.872 4.594 27.707 1.00 0.00 H new ATOM 813 N VAL A 51 -9.657 2.518 22.152 1.00 0.00 N ATOM 814 CA VAL A 51 -9.092 1.642 21.132 1.00 0.00 C ATOM 815 C VAL A 51 -7.702 2.107 20.716 1.00 0.00 C ATOM 816 O VAL A 51 -7.347 3.272 20.897 1.00 0.00 O ATOM 817 CB VAL A 51 -10.008 1.602 19.895 1.00 0.00 C ATOM 818 CG1 VAL A 51 -11.382 1.063 20.266 1.00 0.00 C ATOM 819 CG2 VAL A 51 -10.120 2.992 19.288 1.00 0.00 C ATOM 0 H VAL A 51 -9.677 3.505 21.895 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.013 0.643 21.560 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.572 0.932 19.154 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.016 1.042 19.380 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.281 0.053 20.664 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.834 1.707 21.020 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.770 2.956 18.413 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.540 3.678 20.024 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.131 3.340 18.991 1.00 0.00 H new ATOM 829 N ARG A 52 -6.920 1.190 20.158 1.00 0.00 N ATOM 830 CA ARG A 52 -5.598 1.523 19.640 1.00 0.00 C ATOM 831 C ARG A 52 -5.509 1.251 18.144 1.00 0.00 C ATOM 832 O ARG A 52 -5.825 0.154 17.683 1.00 0.00 O ATOM 833 CB ARG A 52 -4.523 0.725 20.363 1.00 0.00 C ATOM 834 CG ARG A 52 -3.102 0.998 19.897 1.00 0.00 C ATOM 835 CD ARG A 52 -2.111 0.184 20.647 1.00 0.00 C ATOM 836 NE ARG A 52 -1.998 0.610 22.033 1.00 0.00 N ATOM 837 CZ ARG A 52 -1.349 -0.077 22.993 1.00 0.00 C ATOM 838 NH1 ARG A 52 -0.761 -1.216 22.703 1.00 0.00 N ATOM 839 NH2 ARG A 52 -1.302 0.396 24.227 1.00 0.00 N ATOM 0 H ARG A 52 -7.179 0.209 20.053 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.436 2.587 19.813 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.588 0.939 21.430 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.733 -0.337 20.238 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.020 0.780 18.832 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.874 2.056 20.024 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.403 -0.866 20.612 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.137 0.261 20.163 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.441 1.490 22.297 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.796 -1.580 21.751 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.270 -1.736 23.430 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.757 1.281 24.452 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.811 -0.124 24.954 1.00 0.00 H new ATOM 853 N ILE A 53 -5.076 2.256 17.390 1.00 0.00 N ATOM 854 CA ILE A 53 -4.992 2.143 15.939 1.00 0.00 C ATOM 855 C ILE A 53 -3.563 1.861 15.490 1.00 0.00 C ATOM 856 O ILE A 53 -2.673 2.693 15.664 1.00 0.00 O ATOM 857 CB ILE A 53 -5.500 3.427 15.258 1.00 0.00 C ATOM 858 CG1 ILE A 53 -6.948 3.711 15.667 1.00 0.00 C ATOM 859 CG2 ILE A 53 -5.384 3.309 13.746 1.00 0.00 C ATOM 860 CD1 ILE A 53 -7.444 5.077 15.250 1.00 0.00 C ATOM 0 H ILE A 53 -4.778 3.158 17.760 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.625 1.307 15.642 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.880 4.262 15.585 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.595 2.951 15.229 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.035 3.618 16.750 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.747 4.225 13.281 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.341 3.152 13.472 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.981 2.465 13.400 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.477 5.204 15.575 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.822 5.846 15.709 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.391 5.168 14.165 1.00 0.00 H new ATOM 872 N PHE A 54 -3.351 0.684 14.913 1.00 0.00 N ATOM 873 CA PHE A 54 -2.027 0.283 14.453 1.00 0.00 C ATOM 874 C PHE A 54 -1.804 0.683 13.000 1.00 0.00 C ATOM 875 O PHE A 54 -2.515 0.227 12.105 1.00 0.00 O ATOM 876 CB PHE A 54 -1.843 -1.228 14.606 1.00 0.00 C ATOM 877 CG PHE A 54 -0.472 -1.712 14.229 1.00 0.00 C ATOM 878 CD1 PHE A 54 0.660 -1.029 14.647 1.00 0.00 C ATOM 879 CD2 PHE A 54 -0.311 -2.851 13.454 1.00 0.00 C ATOM 880 CE1 PHE A 54 1.922 -1.474 14.301 1.00 0.00 C ATOM 881 CE2 PHE A 54 0.949 -3.299 13.108 1.00 0.00 C ATOM 882 CZ PHE A 54 2.067 -2.609 13.532 1.00 0.00 C ATOM 0 H PHE A 54 -4.081 -0.011 14.752 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.291 0.799 15.070 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.045 -1.506 15.640 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.581 -1.739 13.988 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.554 -0.139 15.250 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.181 -3.394 13.117 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.795 -0.932 14.633 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.059 -4.189 12.506 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.053 -2.958 13.262 1.00 0.00 H new ATOM 892 N SER A 55 -0.812 1.537 12.773 1.00 0.00 N ATOM 893 CA SER A 55 -0.470 1.973 11.424 1.00 0.00 C ATOM 894 C SER A 55 1.008 1.752 11.131 1.00 0.00 C ATOM 895 O SER A 55 1.861 1.980 11.989 1.00 0.00 O ATOM 896 CB SER A 55 -0.817 3.439 11.246 1.00 0.00 C ATOM 897 OG SER A 55 -0.392 3.906 9.995 1.00 0.00 O ATOM 0 H SER A 55 -0.230 1.941 13.507 1.00 0.00 H new ATOM 0 HA SER A 55 -1.050 1.376 10.720 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.894 3.576 11.343 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.349 4.026 12.036 1.00 0.00 H new ATOM 0 HG SER A 55 -0.628 4.853 9.902 1.00 0.00 H new ATOM 903 N VAL A 56 1.305 1.307 9.915 1.00 0.00 N ATOM 904 CA VAL A 56 2.683 1.068 9.502 1.00 0.00 C ATOM 905 C VAL A 56 3.015 1.831 8.226 1.00 0.00 C ATOM 906 O VAL A 56 2.363 1.653 7.197 1.00 0.00 O ATOM 907 CB VAL A 56 2.919 -0.436 9.273 1.00 0.00 C ATOM 908 CG1 VAL A 56 4.337 -0.684 8.778 1.00 0.00 C ATOM 909 CG2 VAL A 56 2.656 -1.203 10.560 1.00 0.00 C ATOM 0 H VAL A 56 0.609 1.104 9.197 1.00 0.00 H new ATOM 0 HA VAL A 56 3.335 1.423 10.301 1.00 0.00 H new ATOM 0 HB VAL A 56 2.228 -0.790 8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.486 -1.752 8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.492 -0.154 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.050 -0.323 9.520 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.825 -2.266 10.391 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.330 -0.848 11.339 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.624 -1.045 10.873 1.00 0.00 H new ATOM 919 N ASN A 57 4.033 2.682 8.300 1.00 0.00 N ATOM 920 CA ASN A 57 4.463 3.464 7.147 1.00 0.00 C ATOM 921 C ASN A 57 3.408 4.490 6.753 1.00 0.00 C ATOM 922 O ASN A 57 3.150 4.707 5.569 1.00 0.00 O ATOM 923 CB ASN A 57 4.786 2.555 5.975 1.00 0.00 C ATOM 924 CG ASN A 57 5.673 3.217 4.958 1.00 0.00 C ATOM 925 OD1 ASN A 57 6.031 4.392 5.099 1.00 0.00 O ATOM 926 ND2 ASN A 57 6.035 2.486 3.934 1.00 0.00 N ATOM 0 H ASN A 57 4.576 2.848 9.147 1.00 0.00 H new ATOM 0 HA ASN A 57 5.368 4.003 7.427 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.273 1.652 6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.858 2.244 5.495 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.636 2.882 3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.716 1.520 3.858 1.00 0.00 H new ATOM 933 N LYS A 58 2.800 5.120 7.753 1.00 0.00 N ATOM 934 CA LYS A 58 1.694 6.040 7.519 1.00 0.00 C ATOM 935 C LYS A 58 0.555 5.354 6.775 1.00 0.00 C ATOM 936 O LYS A 58 -0.045 5.934 5.869 1.00 0.00 O ATOM 937 CB LYS A 58 2.171 7.265 6.738 1.00 0.00 C ATOM 938 CG LYS A 58 3.378 7.967 7.346 1.00 0.00 C ATOM 939 CD LYS A 58 3.060 8.514 8.729 1.00 0.00 C ATOM 940 CE LYS A 58 4.102 9.528 9.178 1.00 0.00 C ATOM 941 NZ LYS A 58 5.464 8.932 9.246 1.00 0.00 N ATOM 0 H LYS A 58 3.055 5.010 8.734 1.00 0.00 H new ATOM 0 HA LYS A 58 1.320 6.365 8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.418 6.959 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.349 7.978 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.213 7.269 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.694 8.781 6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.075 8.982 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.016 7.694 9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.109 10.371 8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.828 9.920 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.126 9.624 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.441 8.082 9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.778 8.673 8.289 1.00 0.00 H new ATOM 955 N GLU A 59 0.262 4.118 7.161 1.00 0.00 N ATOM 956 CA GLU A 59 -0.776 3.334 6.502 1.00 0.00 C ATOM 957 C GLU A 59 -1.503 2.437 7.494 1.00 0.00 C ATOM 958 O GLU A 59 -0.912 1.522 8.068 1.00 0.00 O ATOM 959 CB GLU A 59 -0.172 2.486 5.380 1.00 0.00 C ATOM 960 CG GLU A 59 -1.195 1.741 4.535 1.00 0.00 C ATOM 961 CD GLU A 59 -0.583 1.049 3.349 1.00 0.00 C ATOM 962 OE1 GLU A 59 0.618 0.929 3.311 1.00 0.00 O ATOM 963 OE2 GLU A 59 -1.316 0.641 2.480 1.00 0.00 O ATOM 0 H GLU A 59 0.730 3.636 7.929 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.499 4.030 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.417 3.132 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.516 1.762 5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.704 1.004 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.953 2.444 4.188 1.00 0.00 H new ATOM 970 N GLU A 60 -2.790 2.704 7.693 1.00 0.00 N ATOM 971 CA GLU A 60 -3.574 1.992 8.695 1.00 0.00 C ATOM 972 C GLU A 60 -3.584 0.493 8.423 1.00 0.00 C ATOM 973 O GLU A 60 -3.876 0.056 7.310 1.00 0.00 O ATOM 974 CB GLU A 60 -5.009 2.524 8.726 1.00 0.00 C ATOM 975 CG GLU A 60 -5.870 1.944 9.839 1.00 0.00 C ATOM 976 CD GLU A 60 -7.240 2.560 9.900 1.00 0.00 C ATOM 977 OE1 GLU A 60 -7.553 3.353 9.044 1.00 0.00 O ATOM 978 OE2 GLU A 60 -7.975 2.238 10.804 1.00 0.00 O ATOM 0 H GLU A 60 -3.312 3.409 7.173 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.108 2.162 9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.979 3.608 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.483 2.311 7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.967 0.868 9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.368 2.092 10.795 1.00 0.00 H new ATOM 985 N VAL A 61 -3.264 -0.291 9.447 1.00 0.00 N ATOM 986 CA VAL A 61 -3.213 -1.742 9.315 1.00 0.00 C ATOM 987 C VAL A 61 -4.406 -2.399 9.998 1.00 0.00 C ATOM 988 O VAL A 61 -5.172 -3.127 9.366 1.00 0.00 O ATOM 989 CB VAL A 61 -1.910 -2.289 9.926 1.00 0.00 C ATOM 990 CG1 VAL A 61 -1.893 -3.810 9.871 1.00 0.00 C ATOM 991 CG2 VAL A 61 -0.711 -1.710 9.191 1.00 0.00 C ATOM 0 H VAL A 61 -3.036 0.055 10.379 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.245 -1.979 8.252 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.857 -1.988 10.972 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.965 -4.179 10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.740 -4.204 10.433 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.962 -4.137 8.834 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.208 -2.101 9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.760 -1.990 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.721 -0.624 9.278 1.00 0.00 H new ATOM 1001 N SER A 62 -4.558 -2.138 11.292 1.00 0.00 N ATOM 1002 CA SER A 62 -5.614 -2.762 12.080 1.00 0.00 C ATOM 1003 C SER A 62 -5.844 -2.011 13.385 1.00 0.00 C ATOM 1004 O SER A 62 -5.113 -1.076 13.712 1.00 0.00 O ATOM 1005 CB SER A 62 -5.260 -4.207 12.374 1.00 0.00 C ATOM 1006 OG SER A 62 -4.193 -4.289 13.279 1.00 0.00 O ATOM 0 H SER A 62 -3.963 -1.498 11.817 1.00 0.00 H new ATOM 0 HA SER A 62 -6.535 -2.726 11.498 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.129 -4.722 12.783 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.995 -4.716 11.447 1.00 0.00 H new ATOM 0 HG SER A 62 -3.984 -5.230 13.454 1.00 0.00 H new ATOM 1012 N ARG A 63 -6.865 -2.425 14.128 1.00 0.00 N ATOM 1013 CA ARG A 63 -7.194 -1.791 15.400 1.00 0.00 C ATOM 1014 C ARG A 63 -7.462 -2.831 16.480 1.00 0.00 C ATOM 1015 O ARG A 63 -7.847 -3.962 16.184 1.00 0.00 O ATOM 1016 CB ARG A 63 -8.412 -0.892 15.251 1.00 0.00 C ATOM 1017 CG ARG A 63 -8.270 0.211 14.214 1.00 0.00 C ATOM 1018 CD ARG A 63 -9.462 1.098 14.190 1.00 0.00 C ATOM 1019 NE ARG A 63 -9.409 2.047 13.089 1.00 0.00 N ATOM 1020 CZ ARG A 63 -10.261 3.078 12.926 1.00 0.00 C ATOM 1021 NH1 ARG A 63 -11.224 3.279 13.799 1.00 0.00 N ATOM 1022 NH2 ARG A 63 -10.129 3.886 11.889 1.00 0.00 N ATOM 0 H ARG A 63 -7.480 -3.197 13.871 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.335 -1.189 15.698 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.271 -1.509 14.988 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.630 -0.437 16.217 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.380 0.802 14.431 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.126 -0.232 13.229 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.364 0.492 14.104 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.531 1.640 15.133 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.675 1.923 12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.326 2.655 14.599 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.869 4.059 13.676 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.382 3.729 11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.774 4.667 11.765 1.00 0.00 H new ATOM 1036 N GLU A 64 -7.257 -2.441 17.733 1.00 0.00 N ATOM 1037 CA GLU A 64 -7.518 -3.326 18.863 1.00 0.00 C ATOM 1038 C GLU A 64 -8.041 -2.547 20.063 1.00 0.00 C ATOM 1039 O GLU A 64 -7.521 -1.482 20.398 1.00 0.00 O ATOM 1040 CB GLU A 64 -6.247 -4.085 19.250 1.00 0.00 C ATOM 1041 CG GLU A 64 -6.435 -5.094 20.374 1.00 0.00 C ATOM 1042 CD GLU A 64 -5.184 -5.869 20.680 1.00 0.00 C ATOM 1043 OE1 GLU A 64 -4.180 -5.610 20.060 1.00 0.00 O ATOM 1044 OE2 GLU A 64 -5.231 -6.722 21.534 1.00 0.00 O ATOM 0 H GLU A 64 -6.911 -1.517 17.992 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.283 -4.040 18.558 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.867 -4.605 18.371 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.485 -3.365 19.548 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.762 -4.572 21.273 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.230 -5.789 20.102 1.00 0.00 H new ATOM 1051 N ILE A 65 -9.071 -3.084 20.707 1.00 0.00 N ATOM 1052 CA ILE A 65 -9.690 -2.422 21.850 1.00 0.00 C ATOM 1053 C ILE A 65 -8.799 -2.505 23.083 1.00 0.00 C ATOM 1054 O ILE A 65 -8.396 -3.591 23.498 1.00 0.00 O ATOM 1055 CB ILE A 65 -11.063 -3.042 22.166 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -12.025 -2.834 20.993 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -11.636 -2.442 23.441 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -13.317 -3.608 21.119 1.00 0.00 C ATOM 0 H ILE A 65 -9.496 -3.977 20.457 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.825 -1.374 21.584 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.933 -4.113 22.319 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.255 -1.772 20.908 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -11.526 -3.127 20.069 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -12.607 -2.891 23.650 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.959 -2.639 24.272 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -11.754 -1.366 23.316 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.946 -3.410 20.251 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -13.098 -4.675 21.173 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -13.840 -3.299 22.024 1.00 0.00 H new ATOM 1070 N VAL A 66 -8.494 -1.350 23.665 1.00 0.00 N ATOM 1071 CA VAL A 66 -7.641 -1.288 24.845 1.00 0.00 C ATOM 1072 C VAL A 66 -8.434 -1.571 26.114 1.00 0.00 C ATOM 1073 O VAL A 66 -8.056 -2.423 26.917 1.00 0.00 O ATOM 1074 CB VAL A 66 -6.979 0.099 24.955 1.00 0.00 C ATOM 1075 CG1 VAL A 66 -6.201 0.216 26.257 1.00 0.00 C ATOM 1076 CG2 VAL A 66 -6.069 0.334 23.759 1.00 0.00 C ATOM 0 H VAL A 66 -8.826 -0.443 23.338 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.871 -2.052 24.737 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.756 0.863 24.957 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.740 1.202 26.318 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.879 0.080 27.100 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.426 -0.550 26.288 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.604 1.316 23.843 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.295 -0.433 23.735 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.655 0.287 22.841 1.00 0.00 H new ATOM 1086 N SER A 67 -9.537 -0.850 26.289 1.00 0.00 N ATOM 1087 CA SER A 67 -10.341 -0.962 27.500 1.00 0.00 C ATOM 1088 C SER A 67 -11.688 -0.272 27.332 1.00 0.00 C ATOM 1089 O SER A 67 -11.787 0.770 26.684 1.00 0.00 O ATOM 1090 CB SER A 67 -9.598 -0.360 28.677 1.00 0.00 C ATOM 1091 OG SER A 67 -10.358 -0.452 29.851 1.00 0.00 O ATOM 0 H SER A 67 -9.894 -0.181 25.607 1.00 0.00 H new ATOM 0 HA SER A 67 -10.520 -2.021 27.688 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.647 -0.875 28.814 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.367 0.685 28.470 1.00 0.00 H new ATOM 0 HG SER A 67 -9.858 -0.059 30.596 1.00 0.00 H new ATOM 1097 N THR A 68 -12.725 -0.859 27.920 1.00 0.00 N ATOM 1098 CA THR A 68 -14.064 -0.284 27.865 1.00 0.00 C ATOM 1099 C THR A 68 -14.644 -0.103 29.262 1.00 0.00 C ATOM 1100 O THR A 68 -14.231 -0.774 30.208 1.00 0.00 O ATOM 1101 CB THR A 68 -15.009 -1.160 27.022 1.00 0.00 C ATOM 1102 OG1 THR A 68 -15.151 -2.446 27.639 1.00 0.00 O ATOM 1103 CG2 THR A 68 -14.460 -1.336 25.614 1.00 0.00 C ATOM 0 H THR A 68 -12.664 -1.734 28.441 1.00 0.00 H new ATOM 0 HA THR A 68 -13.976 0.695 27.393 1.00 0.00 H new ATOM 0 HB THR A 68 -15.980 -0.668 26.964 1.00 0.00 H new ATOM 0 HG1 THR A 68 -15.754 -3.002 27.102 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.141 -1.958 25.033 1.00 0.00 H new ATOM 0 HG22 THR A 68 -14.363 -0.361 25.137 1.00 0.00 H new ATOM 0 HG23 THR A 68 -13.482 -1.816 25.662 1.00 0.00 H new ATOM 1111 N SER A 69 -15.604 0.807 29.385 1.00 0.00 N ATOM 1112 CA SER A 69 -16.276 1.045 30.657 1.00 0.00 C ATOM 1113 C SER A 69 -17.588 1.793 30.456 1.00 0.00 C ATOM 1114 O SER A 69 -17.614 2.870 29.860 1.00 0.00 O ATOM 1115 CB SER A 69 -15.372 1.831 31.586 1.00 0.00 C ATOM 1116 OG SER A 69 -16.014 2.101 32.802 1.00 0.00 O ATOM 0 H SER A 69 -15.935 1.393 28.618 1.00 0.00 H new ATOM 0 HA SER A 69 -16.500 0.077 31.105 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.457 1.268 31.771 1.00 0.00 H new ATOM 0 HB3 SER A 69 -15.080 2.767 31.109 1.00 0.00 H new ATOM 0 HG SER A 69 -15.411 2.607 33.385 1.00 0.00 H new ATOM 1122 N THR A 70 -18.675 1.216 30.956 1.00 0.00 N ATOM 1123 CA THR A 70 -20.003 1.784 30.760 1.00 0.00 C ATOM 1124 C THR A 70 -20.574 2.314 32.069 1.00 0.00 C ATOM 1125 O THR A 70 -20.694 1.578 33.048 1.00 0.00 O ATOM 1126 CB THR A 70 -20.967 0.745 30.158 1.00 0.00 C ATOM 1127 OG1 THR A 70 -20.466 0.302 28.890 1.00 0.00 O ATOM 1128 CG2 THR A 70 -22.351 1.347 29.970 1.00 0.00 C ATOM 0 H THR A 70 -18.662 0.354 31.501 1.00 0.00 H new ATOM 0 HA THR A 70 -19.899 2.614 30.061 1.00 0.00 H new ATOM 0 HB THR A 70 -21.040 -0.100 30.843 1.00 0.00 H new ATOM 0 HG1 THR A 70 -21.080 -0.360 28.509 1.00 0.00 H new ATOM 0 HG21 THR A 70 -23.019 0.598 29.544 1.00 0.00 H new ATOM 0 HG22 THR A 70 -22.740 1.673 30.935 1.00 0.00 H new ATOM 0 HG23 THR A 70 -22.288 2.202 29.297 1.00 0.00 H new ATOM 1136 N THR A 71 -20.926 3.595 32.079 1.00 0.00 N ATOM 1137 CA THR A 71 -21.615 4.192 33.217 1.00 0.00 C ATOM 1138 C THR A 71 -23.124 4.179 33.016 1.00 0.00 C ATOM 1139 O THR A 71 -23.637 4.758 32.058 1.00 0.00 O ATOM 1140 CB THR A 71 -21.137 5.636 33.460 1.00 0.00 C ATOM 1141 OG1 THR A 71 -19.737 5.633 33.769 1.00 0.00 O ATOM 1142 CG2 THR A 71 -21.906 6.265 34.611 1.00 0.00 C ATOM 0 H THR A 71 -20.745 4.241 31.310 1.00 0.00 H new ATOM 0 HA THR A 71 -21.373 3.589 34.093 1.00 0.00 H new ATOM 0 HB THR A 71 -21.315 6.219 32.556 1.00 0.00 H new ATOM 0 HG1 THR A 71 -19.434 6.552 33.922 1.00 0.00 H new ATOM 0 HG21 THR A 71 -21.555 7.285 34.769 1.00 0.00 H new ATOM 0 HG22 THR A 71 -22.970 6.280 34.373 1.00 0.00 H new ATOM 0 HG23 THR A 71 -21.745 5.682 35.518 1.00 0.00 H new ATOM 1150 N ALA A 72 -23.832 3.516 33.924 1.00 0.00 N ATOM 1151 CA ALA A 72 -25.279 3.377 33.816 1.00 0.00 C ATOM 1152 C ALA A 72 -25.977 4.719 34.000 1.00 0.00 C ATOM 1153 O ALA A 72 -25.568 5.534 34.827 1.00 0.00 O ATOM 1154 CB ALA A 72 -25.793 2.370 34.834 1.00 0.00 C ATOM 0 H ALA A 72 -23.426 3.066 34.744 1.00 0.00 H new ATOM 0 HA ALA A 72 -25.507 3.013 32.814 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -26.875 2.278 34.740 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -25.329 1.400 34.653 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -25.544 2.709 35.839 1.00 0.00 H new ATOM 1160 N PRO A 73 -27.032 4.943 33.224 1.00 0.00 N ATOM 1161 CA PRO A 73 -27.818 6.166 33.334 1.00 0.00 C ATOM 1162 C PRO A 73 -28.707 6.140 34.571 1.00 0.00 C ATOM 1163 O PRO A 73 -28.878 5.098 35.202 1.00 0.00 O ATOM 1164 CB PRO A 73 -28.644 6.162 32.044 1.00 0.00 C ATOM 1165 CG PRO A 73 -28.852 4.716 31.748 1.00 0.00 C ATOM 1166 CD PRO A 73 -27.553 4.063 32.141 1.00 0.00 C ATOM 0 HA PRO A 73 -27.208 7.063 33.444 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -29.593 6.682 32.177 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -28.117 6.663 31.232 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -29.689 4.310 32.317 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -29.075 4.554 30.693 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -27.707 3.043 32.493 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -26.861 4.009 31.301 1.00 0.00 H new ATOM 1174 N SER A 74 -29.270 7.294 34.913 1.00 0.00 N ATOM 1175 CA SER A 74 -30.164 7.400 36.059 1.00 0.00 C ATOM 1176 C SER A 74 -31.548 7.877 35.636 1.00 0.00 C ATOM 1177 O SER A 74 -31.779 9.075 35.474 1.00 0.00 O ATOM 1178 CB SER A 74 -29.584 8.351 37.088 1.00 0.00 C ATOM 1179 OG SER A 74 -30.458 8.513 38.171 1.00 0.00 O ATOM 0 H SER A 74 -29.122 8.170 34.412 1.00 0.00 H new ATOM 0 HA SER A 74 -30.264 6.408 36.500 1.00 0.00 H new ATOM 0 HB2 SER A 74 -28.627 7.969 37.443 1.00 0.00 H new ATOM 0 HB3 SER A 74 -29.389 9.319 36.625 1.00 0.00 H new ATOM 0 HG SER A 74 -30.813 9.427 38.171 1.00 0.00 H new ATOM 1185 N PRO A 75 -32.465 6.932 35.459 1.00 0.00 N ATOM 1186 CA PRO A 75 -33.851 7.259 35.143 1.00 0.00 C ATOM 1187 C PRO A 75 -34.440 8.213 36.174 1.00 0.00 C ATOM 1188 O PRO A 75 -34.176 8.091 37.370 1.00 0.00 O ATOM 1189 CB PRO A 75 -34.543 5.893 35.177 1.00 0.00 C ATOM 1190 CG PRO A 75 -33.458 4.924 34.852 1.00 0.00 C ATOM 1191 CD PRO A 75 -32.242 5.479 35.545 1.00 0.00 C ATOM 0 HA PRO A 75 -33.968 7.770 34.187 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -34.977 5.691 36.156 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -35.355 5.840 34.451 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -33.698 3.923 35.211 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -33.302 4.848 33.776 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -32.173 5.139 36.578 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -31.319 5.179 35.048 1.00 0.00 H new ATOM 1199 N ARG A 76 -35.240 9.164 35.703 1.00 0.00 N ATOM 1200 CA ARG A 76 -35.819 10.180 36.574 1.00 0.00 C ATOM 1201 C ARG A 76 -37.163 9.727 37.131 1.00 0.00 C ATOM 1202 O ARG A 76 -38.073 9.383 36.377 1.00 0.00 O ATOM 1203 CB ARG A 76 -36.000 11.490 35.823 1.00 0.00 C ATOM 1204 CG ARG A 76 -36.453 12.662 36.680 1.00 0.00 C ATOM 1205 CD ARG A 76 -36.123 13.964 36.047 1.00 0.00 C ATOM 1206 NE ARG A 76 -36.946 14.223 34.877 1.00 0.00 N ATOM 1207 CZ ARG A 76 -36.671 15.147 33.936 1.00 0.00 C ATOM 1208 NH1 ARG A 76 -35.592 15.892 34.043 1.00 0.00 N ATOM 1209 NH2 ARG A 76 -37.484 15.306 32.907 1.00 0.00 N ATOM 0 H ARG A 76 -35.502 9.252 34.721 1.00 0.00 H new ATOM 0 HA ARG A 76 -35.128 10.332 37.404 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -35.056 11.752 35.345 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -36.729 11.338 35.027 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -37.529 12.599 36.844 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -35.978 12.602 37.659 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -36.261 14.766 36.773 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -35.072 13.972 35.760 1.00 0.00 H new ATOM 0 HE ARG A 76 -37.792 13.665 34.760 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -34.965 15.770 34.838 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -35.383 16.592 33.331 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -38.321 14.729 32.824 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -37.275 16.006 32.195 1.00 0.00 H new ATOM 1223 N ILE A 77 -37.280 9.729 38.454 1.00 0.00 N ATOM 1224 CA ILE A 77 -38.509 9.304 39.115 1.00 0.00 C ATOM 1225 C ILE A 77 -39.092 10.424 39.967 1.00 0.00 C ATOM 1226 O ILE A 77 -38.417 10.969 40.841 1.00 0.00 O ATOM 1227 CB ILE A 77 -38.259 8.066 39.995 1.00 0.00 C ATOM 1228 CG1 ILE A 77 -37.714 6.911 39.151 1.00 0.00 C ATOM 1229 CG2 ILE A 77 -39.538 7.652 40.707 1.00 0.00 C ATOM 1230 CD1 ILE A 77 -37.255 5.723 39.965 1.00 0.00 C ATOM 0 H ILE A 77 -36.538 10.020 39.091 1.00 0.00 H new ATOM 0 HA ILE A 77 -39.225 9.048 38.334 1.00 0.00 H new ATOM 0 HB ILE A 77 -37.514 8.322 40.749 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -38.487 6.586 38.455 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -36.879 7.274 38.552 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -39.343 6.775 41.325 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -39.885 8.471 41.338 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -40.304 7.413 39.969 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -36.882 4.946 39.297 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -36.459 6.032 40.642 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -38.092 5.333 40.544 1.00 0.00 H new ATOM 1242 N VAL A 78 -40.349 10.765 39.706 1.00 0.00 N ATOM 1243 CA VAL A 78 -41.012 11.851 40.419 1.00 0.00 C ATOM 1244 C VAL A 78 -42.271 11.361 41.122 1.00 0.00 C ATOM 1245 O VAL A 78 -43.089 10.655 40.532 1.00 0.00 O ATOM 1246 CB VAL A 78 -41.381 12.984 39.443 1.00 0.00 C ATOM 1247 CG1 VAL A 78 -42.112 14.100 40.174 1.00 0.00 C ATOM 1248 CG2 VAL A 78 -40.126 13.514 38.766 1.00 0.00 C ATOM 0 H VAL A 78 -40.930 10.305 39.005 1.00 0.00 H new ATOM 0 HA VAL A 78 -40.317 12.227 41.170 1.00 0.00 H new ATOM 0 HB VAL A 78 -42.049 12.588 38.678 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -42.365 14.892 39.469 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -43.025 13.706 40.620 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -41.470 14.503 40.958 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -40.395 14.315 38.077 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -39.440 13.899 39.521 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -39.642 12.708 38.214 1.00 0.00 H new ATOM 1258 N GLU A 79 -42.421 11.740 42.387 1.00 0.00 N ATOM 1259 CA GLU A 79 -43.599 11.370 43.163 1.00 0.00 C ATOM 1260 C GLU A 79 -44.681 12.437 43.064 1.00 0.00 C ATOM 1261 O GLU A 79 -44.386 13.632 43.024 1.00 0.00 O ATOM 1262 CB GLU A 79 -43.223 11.144 44.629 1.00 0.00 C ATOM 1263 CG GLU A 79 -42.253 9.994 44.859 1.00 0.00 C ATOM 1264 CD GLU A 79 -41.902 9.806 46.309 1.00 0.00 C ATOM 1265 OE1 GLU A 79 -42.360 10.579 47.117 1.00 0.00 O ATOM 1266 OE2 GLU A 79 -41.176 8.889 46.610 1.00 0.00 O ATOM 0 H GLU A 79 -41.741 12.304 42.897 1.00 0.00 H new ATOM 0 HA GLU A 79 -43.993 10.442 42.748 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -42.782 12.059 45.024 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -44.132 10.956 45.200 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -42.691 9.073 44.474 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -41.341 10.175 44.290 1.00 0.00 H new ATOM 1273 N LYS A 80 -45.935 12.000 43.027 1.00 0.00 N ATOM 1274 CA LYS A 80 -47.066 12.919 42.977 1.00 0.00 C ATOM 1275 C LYS A 80 -48.053 12.639 44.103 1.00 0.00 C ATOM 1276 O LYS A 80 -48.656 11.567 44.161 1.00 0.00 O ATOM 1277 CB LYS A 80 -47.772 12.826 41.624 1.00 0.00 C ATOM 1278 CG LYS A 80 -48.952 13.776 41.464 1.00 0.00 C ATOM 1279 CD LYS A 80 -49.594 13.634 40.092 1.00 0.00 C ATOM 1280 CE LYS A 80 -50.799 14.552 39.945 1.00 0.00 C ATOM 1281 NZ LYS A 80 -51.446 14.412 38.613 1.00 0.00 N ATOM 0 H LYS A 80 -46.194 11.013 43.031 1.00 0.00 H new ATOM 0 HA LYS A 80 -46.680 13.930 43.106 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -47.048 13.029 40.835 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -48.122 11.804 41.480 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -49.693 13.573 42.237 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -48.616 14.803 41.606 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -48.861 13.867 39.320 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -49.902 12.600 39.938 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -51.525 14.326 40.726 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -50.487 15.586 40.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -52.262 15.054 38.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -50.762 14.652 37.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -51.767 13.431 38.485 1.00 0.00 H new ATOM 1295 N GLY A 81 -48.214 13.609 44.997 1.00 0.00 N ATOM 1296 CA GLY A 81 -49.082 13.446 46.157 1.00 0.00 C ATOM 1297 C GLY A 81 -50.530 13.232 45.736 1.00 0.00 C ATOM 1298 O GLY A 81 -51.004 13.843 44.778 1.00 0.00 O ATOM 0 H GLY A 81 -47.754 14.518 44.940 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -48.744 12.597 46.751 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -49.012 14.328 46.793 1.00 0.00 H new ATOM 1302 N THR A 82 -51.228 12.362 46.457 1.00 0.00 N ATOM 1303 CA THR A 82 -52.623 12.062 46.156 1.00 0.00 C ATOM 1304 C THR A 82 -53.380 11.644 47.410 1.00 0.00 C ATOM 1305 O THR A 82 -52.873 11.773 48.524 1.00 0.00 O ATOM 1306 CB THR A 82 -52.735 10.956 45.091 1.00 0.00 C ATOM 1307 OG1 THR A 82 -54.098 10.838 44.662 1.00 0.00 O ATOM 1308 CG2 THR A 82 -52.269 9.623 45.656 1.00 0.00 C ATOM 0 H THR A 82 -50.850 11.851 47.255 1.00 0.00 H new ATOM 0 HA THR A 82 -53.072 12.975 45.764 1.00 0.00 H new ATOM 0 HB THR A 82 -52.102 11.222 44.245 1.00 0.00 H new ATOM 0 HG1 THR A 82 -54.504 11.729 44.614 1.00 0.00 H new ATOM 0 HG21 THR A 82 -52.355 8.853 44.889 1.00 0.00 H new ATOM 0 HG22 THR A 82 -51.229 9.705 45.972 1.00 0.00 H new ATOM 0 HG23 THR A 82 -52.888 9.354 46.512 1.00 0.00 H new ATOM 1316 N LYS A 83 -54.595 11.143 47.222 1.00 0.00 N ATOM 1317 CA LYS A 83 -55.437 10.733 48.340 1.00 0.00 C ATOM 1318 C LYS A 83 -56.043 9.357 48.099 1.00 0.00 C ATOM 1319 O LYS A 83 -57.231 9.235 47.801 1.00 0.00 O ATOM 1320 CB LYS A 83 -56.544 11.761 48.582 1.00 0.00 C ATOM 1321 CG LYS A 83 -56.046 13.131 49.020 1.00 0.00 C ATOM 1322 CD LYS A 83 -57.200 14.102 49.219 1.00 0.00 C ATOM 1323 CE LYS A 83 -56.707 15.461 49.693 1.00 0.00 C ATOM 1324 NZ LYS A 83 -57.815 16.448 49.800 1.00 0.00 N ATOM 0 H LYS A 83 -55.020 11.011 46.304 1.00 0.00 H new ATOM 0 HA LYS A 83 -54.807 10.676 49.228 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -57.124 11.875 47.666 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -57.222 11.374 49.343 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -55.484 13.036 49.949 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -55.360 13.527 48.271 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -57.746 14.218 48.283 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -57.900 13.693 49.947 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -56.222 15.353 50.663 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -55.953 15.835 49.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -57.437 17.360 50.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -58.262 16.571 48.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -58.522 16.104 50.480 1.00 0.00 H new