USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 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= 0.819 K(o=2.7,f=-0.61) USER MOD Set 1.2: A 74 SER OG : rot -113:sc= 1.85 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.152 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= -0.048 X(o=-0.048,f=-0.053) USER MOD Single : A 26 GLN : amide:sc= 0.843 K(o=0.84,f=-0.86) USER MOD Single : A 28 ASN : amide:sc= -0.105 K(o=-0.1,f=-9.6!) USER MOD Single : A 35 THR OG1 : rot 66:sc= 1.23 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+ -178:sc= 1.19 (180deg=1.19) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 57 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 21:sc= 1.26 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 180:sc= 0.428 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LEU A 8 3.925 2.183 -10.139 1.00 0.00 N ATOM 104 CA LEU A 8 3.819 3.569 -10.582 1.00 0.00 C ATOM 105 C LEU A 8 2.435 3.863 -11.145 1.00 0.00 C ATOM 106 O LEU A 8 2.278 4.097 -12.343 1.00 0.00 O ATOM 107 CB LEU A 8 4.884 3.869 -11.644 1.00 0.00 C ATOM 108 CG LEU A 8 6.341 3.749 -11.178 1.00 0.00 C ATOM 109 CD1 LEU A 8 7.270 3.869 -12.379 1.00 0.00 C ATOM 110 CD2 LEU A 8 6.635 4.830 -10.149 1.00 0.00 C ATOM 0 HA LEU A 8 3.981 4.210 -9.716 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.734 3.191 -12.484 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.723 4.880 -12.017 1.00 0.00 H new ATOM 0 HG LEU A 8 6.505 2.777 -10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.305 3.784 -12.048 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.050 3.073 -13.090 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.121 4.836 -12.859 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.670 4.745 -9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.477 5.811 -10.597 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.969 4.709 -9.294 1.00 0.00 H new ATOM 122 N LEU A 9 1.432 3.849 -10.273 1.00 0.00 N ATOM 123 CA LEU A 9 0.060 4.130 -10.679 1.00 0.00 C ATOM 124 C LEU A 9 -0.328 5.566 -10.351 1.00 0.00 C ATOM 125 O LEU A 9 -0.472 5.929 -9.183 1.00 0.00 O ATOM 126 CB LEU A 9 -0.906 3.162 -9.986 1.00 0.00 C ATOM 127 CG LEU A 9 -2.397 3.398 -10.262 1.00 0.00 C ATOM 128 CD1 LEU A 9 -2.674 3.213 -11.748 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.227 2.436 -9.427 1.00 0.00 C ATOM 0 H LEU A 9 1.544 3.646 -9.280 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.004 3.995 -11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.655 2.146 -10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.741 3.221 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.670 4.416 -9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.733 3.381 -11.944 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.081 3.927 -12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.406 2.199 -12.045 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.286 2.604 -9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.968 1.410 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.023 2.603 -8.369 1.00 0.00 H new ATOM 141 N TYR A 10 -0.497 6.380 -11.388 1.00 0.00 N ATOM 142 CA TYR A 10 -0.847 7.784 -11.211 1.00 0.00 C ATOM 143 C TYR A 10 -2.192 8.102 -11.852 1.00 0.00 C ATOM 144 O TYR A 10 -2.298 8.208 -13.074 1.00 0.00 O ATOM 145 CB TYR A 10 0.244 8.686 -11.792 1.00 0.00 C ATOM 146 CG TYR A 10 1.569 8.586 -11.068 1.00 0.00 C ATOM 147 CD1 TYR A 10 2.490 7.616 -11.437 1.00 0.00 C ATOM 148 CD2 TYR A 10 1.862 9.464 -10.036 1.00 0.00 C ATOM 149 CE1 TYR A 10 3.699 7.525 -10.776 1.00 0.00 C ATOM 150 CE2 TYR A 10 3.072 9.372 -9.374 1.00 0.00 C ATOM 151 CZ TYR A 10 3.988 8.408 -9.741 1.00 0.00 C ATOM 152 OH TYR A 10 5.193 8.317 -9.083 1.00 0.00 O ATOM 0 H TYR A 10 -0.397 6.090 -12.361 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.929 7.975 -10.141 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.394 8.430 -12.841 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.099 9.720 -11.762 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.261 6.932 -12.241 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.145 10.219 -9.749 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.417 6.771 -11.062 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.300 10.055 -8.569 1.00 0.00 H new ATOM 0 HH TYR A 10 5.239 9.006 -8.388 1.00 0.00 H new ATOM 162 N ARG A 11 -3.217 8.252 -11.021 1.00 0.00 N ATOM 163 CA ARG A 11 -4.559 8.549 -11.506 1.00 0.00 C ATOM 164 C ARG A 11 -4.769 10.050 -11.661 1.00 0.00 C ATOM 165 O ARG A 11 -4.966 10.764 -10.677 1.00 0.00 O ATOM 166 CB ARG A 11 -5.608 7.988 -10.558 1.00 0.00 C ATOM 167 CG ARG A 11 -7.049 8.239 -10.976 1.00 0.00 C ATOM 168 CD ARG A 11 -8.011 7.622 -10.028 1.00 0.00 C ATOM 169 NE ARG A 11 -9.389 7.919 -10.384 1.00 0.00 N ATOM 170 CZ ARG A 11 -10.466 7.488 -9.699 1.00 0.00 C ATOM 171 NH1 ARG A 11 -10.309 6.743 -8.627 1.00 0.00 N ATOM 172 NH2 ARG A 11 -11.681 7.814 -10.105 1.00 0.00 N ATOM 0 H ARG A 11 -3.144 8.173 -10.007 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.666 8.077 -12.483 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.454 6.913 -10.464 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.451 8.420 -9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.230 9.312 -11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.214 7.836 -11.975 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.864 6.542 -10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.810 7.984 -9.020 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.552 8.494 -11.211 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.372 6.491 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.125 6.417 -8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.803 8.392 -10.937 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.497 7.488 -9.587 1.00 0.00 H new ATOM 186 N GLU A 12 -4.726 10.524 -12.901 1.00 0.00 N ATOM 187 CA GLU A 12 -4.868 11.948 -13.183 1.00 0.00 C ATOM 188 C GLU A 12 -6.192 12.243 -13.876 1.00 0.00 C ATOM 189 O GLU A 12 -6.470 11.717 -14.954 1.00 0.00 O ATOM 190 CB GLU A 12 -3.706 12.438 -14.050 1.00 0.00 C ATOM 191 CG GLU A 12 -3.742 13.926 -14.367 1.00 0.00 C ATOM 192 CD GLU A 12 -2.530 14.393 -15.124 1.00 0.00 C ATOM 193 OE1 GLU A 12 -1.588 13.644 -15.219 1.00 0.00 O ATOM 194 OE2 GLU A 12 -2.547 15.500 -15.608 1.00 0.00 O ATOM 0 H GLU A 12 -4.594 9.942 -13.728 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.854 12.479 -12.231 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.769 12.210 -13.543 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.706 11.879 -14.986 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.636 14.146 -14.951 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.822 14.489 -13.437 1.00 0.00 H new ATOM 201 N GLU A 13 -7.005 13.088 -13.252 1.00 0.00 N ATOM 202 CA GLU A 13 -8.321 13.420 -13.785 1.00 0.00 C ATOM 203 C GLU A 13 -8.525 14.928 -13.847 1.00 0.00 C ATOM 204 O GLU A 13 -8.015 15.669 -13.007 1.00 0.00 O ATOM 205 CB GLU A 13 -9.419 12.782 -12.931 1.00 0.00 C ATOM 206 CG GLU A 13 -9.428 11.260 -12.954 1.00 0.00 C ATOM 207 CD GLU A 13 -10.576 10.670 -12.183 1.00 0.00 C ATOM 208 OE1 GLU A 13 -11.316 11.418 -11.591 1.00 0.00 O ATOM 209 OE2 GLU A 13 -10.714 9.469 -12.187 1.00 0.00 O ATOM 0 H GLU A 13 -6.775 13.556 -12.375 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.380 13.023 -14.799 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.302 13.117 -11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.387 13.144 -13.276 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.477 10.918 -13.988 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.490 10.890 -12.540 1.00 0.00 H new ATOM 216 N THR A 14 -9.274 15.378 -14.848 1.00 0.00 N ATOM 217 CA THR A 14 -9.601 16.792 -14.986 1.00 0.00 C ATOM 218 C THR A 14 -10.976 17.098 -14.406 1.00 0.00 C ATOM 219 O THR A 14 -11.985 16.554 -14.855 1.00 0.00 O ATOM 220 CB THR A 14 -9.552 17.232 -16.461 1.00 0.00 C ATOM 221 OG1 THR A 14 -8.230 17.033 -16.978 1.00 0.00 O ATOM 222 CG2 THR A 14 -9.928 18.699 -16.593 1.00 0.00 C ATOM 0 H THR A 14 -9.667 14.782 -15.577 1.00 0.00 H new ATOM 0 HA THR A 14 -8.852 17.352 -14.427 1.00 0.00 H new ATOM 0 HB THR A 14 -10.265 16.633 -17.027 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.201 17.312 -17.917 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.888 18.992 -17.642 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.938 18.851 -16.212 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.228 19.307 -16.019 1.00 0.00 H new ATOM 230 N ILE A 15 -11.009 17.973 -13.406 1.00 0.00 N ATOM 231 CA ILE A 15 -12.265 18.389 -12.794 1.00 0.00 C ATOM 232 C ILE A 15 -12.757 19.704 -13.385 1.00 0.00 C ATOM 233 O ILE A 15 -12.046 20.709 -13.365 1.00 0.00 O ATOM 234 CB ILE A 15 -12.111 18.537 -11.269 1.00 0.00 C ATOM 235 CG1 ILE A 15 -11.688 17.205 -10.644 1.00 0.00 C ATOM 236 CG2 ILE A 15 -13.408 19.032 -10.649 1.00 0.00 C ATOM 237 CD1 ILE A 15 -11.250 17.320 -9.201 1.00 0.00 C ATOM 0 H ILE A 15 -10.179 18.408 -13.002 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.001 17.613 -13.004 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.333 19.274 -11.069 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.521 16.504 -10.707 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.871 16.783 -11.229 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.281 19.131 -9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.668 20.001 -11.074 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.206 18.319 -10.857 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.966 16.336 -8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.397 17.995 -9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.072 17.712 -8.602 1.00 0.00 H new ATOM 249 N GLU A 16 -13.977 19.691 -13.911 1.00 0.00 N ATOM 250 CA GLU A 16 -14.573 20.888 -14.494 1.00 0.00 C ATOM 251 C GLU A 16 -15.926 21.192 -13.864 1.00 0.00 C ATOM 252 O GLU A 16 -16.879 20.428 -14.018 1.00 0.00 O ATOM 253 CB GLU A 16 -14.729 20.723 -16.007 1.00 0.00 C ATOM 254 CG GLU A 16 -13.417 20.553 -16.760 1.00 0.00 C ATOM 255 CD GLU A 16 -13.607 20.438 -18.247 1.00 0.00 C ATOM 256 OE1 GLU A 16 -14.721 20.563 -18.696 1.00 0.00 O ATOM 257 OE2 GLU A 16 -12.636 20.225 -18.935 1.00 0.00 O ATOM 0 H GLU A 16 -14.573 18.864 -13.946 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.905 21.725 -14.292 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.361 19.857 -16.202 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.251 21.594 -16.403 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.768 21.403 -16.546 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.907 19.662 -16.394 1.00 0.00 H new ATOM 264 N THR A 17 -16.004 22.312 -13.154 1.00 0.00 N ATOM 265 CA THR A 17 -17.243 22.723 -12.504 1.00 0.00 C ATOM 266 C THR A 17 -17.783 24.011 -13.113 1.00 0.00 C ATOM 267 O THR A 17 -17.114 25.045 -13.095 1.00 0.00 O ATOM 268 CB THR A 17 -17.039 22.912 -10.990 1.00 0.00 C ATOM 269 OG1 THR A 17 -16.624 21.672 -10.403 1.00 0.00 O ATOM 270 CG2 THR A 17 -18.330 23.373 -10.331 1.00 0.00 C ATOM 0 H THR A 17 -15.223 22.952 -13.014 1.00 0.00 H new ATOM 0 HA THR A 17 -17.971 21.927 -12.664 1.00 0.00 H new ATOM 0 HB THR A 17 -16.272 23.671 -10.834 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.493 21.794 -9.440 1.00 0.00 H new ATOM 0 HG21 THR A 17 -18.167 23.501 -9.261 1.00 0.00 H new ATOM 0 HG22 THR A 17 -18.642 24.322 -10.767 1.00 0.00 H new ATOM 0 HG23 THR A 17 -19.108 22.626 -10.492 1.00 0.00 H new ATOM 278 N LYS A 18 -18.996 23.942 -13.651 1.00 0.00 N ATOM 279 CA LYS A 18 -19.622 25.100 -14.278 1.00 0.00 C ATOM 280 C LYS A 18 -19.971 26.165 -13.247 1.00 0.00 C ATOM 281 O LYS A 18 -20.367 25.849 -12.125 1.00 0.00 O ATOM 282 CB LYS A 18 -20.876 24.680 -15.046 1.00 0.00 C ATOM 283 CG LYS A 18 -20.605 23.814 -16.269 1.00 0.00 C ATOM 284 CD LYS A 18 -21.896 23.457 -16.990 1.00 0.00 C ATOM 285 CE LYS A 18 -21.629 22.576 -18.202 1.00 0.00 C ATOM 286 NZ LYS A 18 -22.887 22.186 -18.895 1.00 0.00 N ATOM 0 H LYS A 18 -19.565 23.096 -13.665 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.904 25.528 -14.978 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -21.536 24.136 -14.370 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -21.411 25.576 -15.362 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -19.939 24.342 -16.951 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.091 22.902 -15.965 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -22.567 22.941 -16.304 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -22.403 24.369 -17.306 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.980 23.106 -18.899 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.095 21.679 -17.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.661 21.587 -19.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -23.496 21.658 -18.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -23.385 23.040 -19.218 1.00 0.00 H new ATOM 300 N ILE A 19 -19.821 27.427 -13.633 1.00 0.00 N ATOM 301 CA ILE A 19 -20.062 28.540 -12.723 1.00 0.00 C ATOM 302 C ILE A 19 -21.268 29.361 -13.163 1.00 0.00 C ATOM 303 O ILE A 19 -21.302 29.883 -14.278 1.00 0.00 O ATOM 304 CB ILE A 19 -18.825 29.453 -12.631 1.00 0.00 C ATOM 305 CG1 ILE A 19 -17.612 28.659 -12.139 1.00 0.00 C ATOM 306 CG2 ILE A 19 -19.102 30.632 -11.712 1.00 0.00 C ATOM 307 CD1 ILE A 19 -16.309 29.420 -12.226 1.00 0.00 C ATOM 0 H ILE A 19 -19.533 27.705 -14.571 1.00 0.00 H new ATOM 0 HA ILE A 19 -20.266 28.116 -11.740 1.00 0.00 H new ATOM 0 HB ILE A 19 -18.603 29.839 -13.626 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -17.780 28.361 -11.104 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -17.527 27.743 -12.724 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -18.218 31.267 -11.658 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -19.940 31.209 -12.103 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -19.347 30.266 -10.715 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -15.496 28.793 -11.860 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -16.117 29.695 -13.263 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -16.373 30.322 -11.618 1.00 0.00 H new ATOM 319 N ASP A 20 -22.256 29.471 -12.282 1.00 0.00 N ATOM 320 CA ASP A 20 -23.474 30.214 -12.586 1.00 0.00 C ATOM 321 C ASP A 20 -23.195 31.707 -12.696 1.00 0.00 C ATOM 322 O ASP A 20 -22.215 32.208 -12.144 1.00 0.00 O ATOM 323 CB ASP A 20 -24.536 29.965 -11.512 1.00 0.00 C ATOM 324 CG ASP A 20 -25.107 28.554 -11.560 1.00 0.00 C ATOM 325 OD1 ASP A 20 -24.901 27.884 -12.544 1.00 0.00 O ATOM 326 OD2 ASP A 20 -25.744 28.161 -10.612 1.00 0.00 O ATOM 0 H ASP A 20 -22.238 29.055 -11.351 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.846 29.860 -13.547 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.100 30.142 -10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.346 30.684 -11.635 1.00 0.00 H new ATOM 331 N PHE A 21 -24.062 32.415 -13.412 1.00 0.00 N ATOM 332 CA PHE A 21 -23.909 33.853 -13.597 1.00 0.00 C ATOM 333 C PHE A 21 -25.159 34.602 -13.152 1.00 0.00 C ATOM 334 O PHE A 21 -26.234 34.016 -13.027 1.00 0.00 O ATOM 335 CB PHE A 21 -23.612 34.174 -15.063 1.00 0.00 C ATOM 336 CG PHE A 21 -24.723 33.800 -16.003 1.00 0.00 C ATOM 337 CD1 PHE A 21 -25.757 34.686 -16.264 1.00 0.00 C ATOM 338 CD2 PHE A 21 -24.737 32.562 -16.627 1.00 0.00 C ATOM 339 CE1 PHE A 21 -26.780 34.343 -17.128 1.00 0.00 C ATOM 340 CE2 PHE A 21 -25.757 32.217 -17.492 1.00 0.00 C ATOM 341 CZ PHE A 21 -26.780 33.109 -17.742 1.00 0.00 C ATOM 0 H PHE A 21 -24.879 32.016 -13.874 1.00 0.00 H new ATOM 0 HA PHE A 21 -23.072 34.179 -12.980 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -23.412 35.241 -15.158 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -22.704 33.651 -15.363 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -25.763 35.655 -15.787 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -23.940 31.859 -16.434 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -27.580 35.042 -17.322 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -25.754 31.250 -17.972 1.00 0.00 H new ATOM 0 HZ PHE A 21 -27.579 32.841 -18.417 1.00 0.00 H new ATOM 351 N GLN A 22 -25.011 35.900 -12.913 1.00 0.00 N ATOM 352 CA GLN A 22 -26.113 36.721 -12.426 1.00 0.00 C ATOM 353 C GLN A 22 -26.796 37.461 -13.569 1.00 0.00 C ATOM 354 O GLN A 22 -26.235 37.595 -14.657 1.00 0.00 O ATOM 355 CB GLN A 22 -25.616 37.721 -11.379 1.00 0.00 C ATOM 356 CG GLN A 22 -24.988 37.079 -10.154 1.00 0.00 C ATOM 357 CD GLN A 22 -25.980 36.246 -9.364 1.00 0.00 C ATOM 358 OE1 GLN A 22 -27.045 36.731 -8.971 1.00 0.00 O ATOM 359 NE2 GLN A 22 -25.637 34.985 -9.128 1.00 0.00 N ATOM 0 H GLN A 22 -24.137 36.407 -13.049 1.00 0.00 H new ATOM 0 HA GLN A 22 -26.843 36.056 -11.964 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -24.885 38.383 -11.843 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -26.453 38.343 -11.061 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -24.155 36.449 -10.465 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -24.577 37.857 -9.510 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -24.746 34.626 -9.472 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -26.264 34.376 -8.603 1.00 0.00 H new ATOM 368 N GLU A 23 -28.009 37.939 -13.316 1.00 0.00 N ATOM 369 CA GLU A 23 -28.768 38.674 -14.322 1.00 0.00 C ATOM 370 C GLU A 23 -29.233 40.021 -13.785 1.00 0.00 C ATOM 371 O GLU A 23 -29.672 40.126 -12.640 1.00 0.00 O ATOM 372 CB GLU A 23 -29.975 37.854 -14.784 1.00 0.00 C ATOM 373 CG GLU A 23 -30.802 38.515 -15.877 1.00 0.00 C ATOM 374 CD GLU A 23 -31.942 37.656 -16.349 1.00 0.00 C ATOM 375 OE1 GLU A 23 -32.788 37.333 -15.550 1.00 0.00 O ATOM 376 OE2 GLU A 23 -31.967 37.321 -17.510 1.00 0.00 O ATOM 0 H GLU A 23 -28.489 37.831 -12.422 1.00 0.00 H new ATOM 0 HA GLU A 23 -28.109 38.852 -15.172 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -29.625 36.887 -15.145 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -30.618 37.661 -13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -31.196 39.461 -15.505 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -30.156 38.749 -16.723 1.00 0.00 H new ATOM 383 N GLU A 24 -29.133 41.051 -14.619 1.00 0.00 N ATOM 384 CA GLU A 24 -29.559 42.391 -14.235 1.00 0.00 C ATOM 385 C GLU A 24 -30.177 43.131 -15.415 1.00 0.00 C ATOM 386 O GLU A 24 -29.629 43.129 -16.517 1.00 0.00 O ATOM 387 CB GLU A 24 -28.377 43.190 -13.683 1.00 0.00 C ATOM 388 CG GLU A 24 -28.730 44.595 -13.217 1.00 0.00 C ATOM 389 CD GLU A 24 -27.562 45.322 -12.611 1.00 0.00 C ATOM 390 OE1 GLU A 24 -26.522 44.724 -12.472 1.00 0.00 O ATOM 391 OE2 GLU A 24 -27.709 46.476 -12.286 1.00 0.00 O ATOM 0 H GLU A 24 -28.760 40.983 -15.566 1.00 0.00 H new ATOM 0 HA GLU A 24 -30.316 42.289 -13.458 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -27.942 42.642 -12.847 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -27.609 43.258 -14.453 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -29.109 45.168 -14.063 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -29.535 44.538 -12.485 1.00 0.00 H new ATOM 398 N ILE A 25 -31.321 43.764 -15.177 1.00 0.00 N ATOM 399 CA ILE A 25 -31.984 44.559 -16.203 1.00 0.00 C ATOM 400 C ILE A 25 -31.976 46.040 -15.844 1.00 0.00 C ATOM 401 O ILE A 25 -32.416 46.428 -14.762 1.00 0.00 O ATOM 402 CB ILE A 25 -33.436 44.089 -16.410 1.00 0.00 C ATOM 403 CG1 ILE A 25 -33.464 42.623 -16.850 1.00 0.00 C ATOM 404 CG2 ILE A 25 -34.140 44.969 -17.431 1.00 0.00 C ATOM 405 CD1 ILE A 25 -34.849 42.016 -16.865 1.00 0.00 C ATOM 0 H ILE A 25 -31.808 43.741 -14.281 1.00 0.00 H new ATOM 0 HA ILE A 25 -31.428 44.419 -17.130 1.00 0.00 H new ATOM 0 HB ILE A 25 -33.967 44.174 -15.462 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -33.032 42.545 -17.848 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -32.830 42.041 -16.182 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -35.165 44.623 -17.565 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -34.149 46.000 -17.078 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -33.612 44.916 -18.383 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -34.787 40.976 -17.187 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -35.277 42.061 -15.863 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -35.483 42.573 -17.555 1.00 0.00 H new ATOM 417 N GLN A 26 -31.472 46.862 -16.758 1.00 0.00 N ATOM 418 CA GLN A 26 -31.354 48.295 -16.516 1.00 0.00 C ATOM 419 C GLN A 26 -32.125 49.095 -17.559 1.00 0.00 C ATOM 420 O GLN A 26 -32.310 48.644 -18.689 1.00 0.00 O ATOM 421 CB GLN A 26 -29.883 48.719 -16.515 1.00 0.00 C ATOM 422 CG GLN A 26 -29.048 48.067 -15.427 1.00 0.00 C ATOM 423 CD GLN A 26 -27.605 48.534 -15.446 1.00 0.00 C ATOM 424 OE1 GLN A 26 -27.136 49.108 -16.433 1.00 0.00 O ATOM 425 NE2 GLN A 26 -26.891 48.291 -14.353 1.00 0.00 N ATOM 0 H GLN A 26 -31.139 46.560 -17.674 1.00 0.00 H new ATOM 0 HA GLN A 26 -31.785 48.503 -15.537 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -29.447 48.479 -17.485 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -29.829 49.802 -16.400 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -29.486 48.290 -14.454 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -29.078 46.984 -15.550 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -27.319 47.813 -13.560 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.914 48.582 -14.307 1.00 0.00 H new ATOM 434 N GLU A 27 -32.572 50.285 -17.172 1.00 0.00 N ATOM 435 CA GLU A 27 -33.336 51.145 -18.069 1.00 0.00 C ATOM 436 C GLU A 27 -32.416 52.032 -18.897 1.00 0.00 C ATOM 437 O GLU A 27 -31.354 52.447 -18.432 1.00 0.00 O ATOM 438 CB GLU A 27 -34.315 52.010 -17.272 1.00 0.00 C ATOM 439 CG GLU A 27 -35.418 51.229 -16.572 1.00 0.00 C ATOM 440 CD GLU A 27 -36.352 52.110 -15.789 1.00 0.00 C ATOM 441 OE1 GLU A 27 -36.044 53.265 -15.618 1.00 0.00 O ATOM 442 OE2 GLU A 27 -37.374 51.627 -15.362 1.00 0.00 O ATOM 0 H GLU A 27 -32.418 50.676 -16.243 1.00 0.00 H new ATOM 0 HA GLU A 27 -33.897 50.504 -18.749 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -33.757 52.575 -16.526 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -34.771 52.735 -17.946 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -35.989 50.672 -17.315 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -34.968 50.497 -15.901 1.00 0.00 H new ATOM 449 N ASN A 28 -32.830 52.321 -20.126 1.00 0.00 N ATOM 450 CA ASN A 28 -32.038 53.152 -21.025 1.00 0.00 C ATOM 451 C ASN A 28 -32.904 54.202 -21.710 1.00 0.00 C ATOM 452 O ASN A 28 -33.621 53.902 -22.665 1.00 0.00 O ATOM 453 CB ASN A 28 -31.323 52.295 -22.054 1.00 0.00 C ATOM 454 CG ASN A 28 -30.341 53.080 -22.878 1.00 0.00 C ATOM 455 OD1 ASN A 28 -30.325 54.316 -22.837 1.00 0.00 O ATOM 456 ND2 ASN A 28 -29.522 52.387 -23.627 1.00 0.00 N ATOM 0 H ASN A 28 -33.710 51.992 -20.523 1.00 0.00 H new ATOM 0 HA ASN A 28 -31.289 53.673 -20.428 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -30.800 51.485 -21.546 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -32.059 51.835 -22.713 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -28.834 52.866 -24.209 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -29.571 51.368 -23.629 1.00 0.00 H new ATOM 463 N PRO A 29 -32.833 55.434 -21.218 1.00 0.00 N ATOM 464 CA PRO A 29 -33.658 56.517 -21.740 1.00 0.00 C ATOM 465 C PRO A 29 -33.386 56.751 -23.220 1.00 0.00 C ATOM 466 O PRO A 29 -34.240 57.263 -23.944 1.00 0.00 O ATOM 467 CB PRO A 29 -33.229 57.717 -20.889 1.00 0.00 C ATOM 468 CG PRO A 29 -32.755 57.110 -19.613 1.00 0.00 C ATOM 469 CD PRO A 29 -32.060 55.843 -20.037 1.00 0.00 C ATOM 0 HA PRO A 29 -34.727 56.315 -21.679 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -32.439 58.288 -21.376 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -34.060 58.402 -20.720 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -32.076 57.778 -19.083 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -33.586 56.901 -18.939 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -31.012 56.017 -20.279 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -32.085 55.085 -19.254 1.00 0.00 H new ATOM 477 N ASP A 30 -32.192 56.375 -23.664 1.00 0.00 N ATOM 478 CA ASP A 30 -31.766 56.637 -25.034 1.00 0.00 C ATOM 479 C ASP A 30 -32.506 55.744 -26.021 1.00 0.00 C ATOM 480 O ASP A 30 -32.547 56.027 -27.219 1.00 0.00 O ATOM 481 CB ASP A 30 -30.257 56.425 -25.177 1.00 0.00 C ATOM 482 CG ASP A 30 -29.439 57.481 -24.445 1.00 0.00 C ATOM 483 OD1 ASP A 30 -29.986 58.507 -24.117 1.00 0.00 O ATOM 484 OD2 ASP A 30 -28.274 57.252 -24.222 1.00 0.00 O ATOM 0 H ASP A 30 -31.501 55.887 -23.094 1.00 0.00 H new ATOM 0 HA ASP A 30 -32.005 57.676 -25.261 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -29.996 55.439 -24.793 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -29.992 56.436 -26.234 1.00 0.00 H new ATOM 489 N LEU A 31 -33.090 54.664 -25.512 1.00 0.00 N ATOM 490 CA LEU A 31 -33.877 53.758 -26.339 1.00 0.00 C ATOM 491 C LEU A 31 -35.366 54.055 -26.218 1.00 0.00 C ATOM 492 O LEU A 31 -35.831 54.540 -25.187 1.00 0.00 O ATOM 493 CB LEU A 31 -33.606 52.303 -25.936 1.00 0.00 C ATOM 494 CG LEU A 31 -32.155 51.829 -26.089 1.00 0.00 C ATOM 495 CD1 LEU A 31 -32.025 50.408 -25.556 1.00 0.00 C ATOM 496 CD2 LEU A 31 -31.749 51.903 -27.553 1.00 0.00 C ATOM 0 H LEU A 31 -33.033 54.395 -24.530 1.00 0.00 H new ATOM 0 HA LEU A 31 -33.579 53.909 -27.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -33.904 52.172 -24.896 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -34.246 51.654 -26.535 1.00 0.00 H new ATOM 0 HG LEU A 31 -31.490 52.474 -25.514 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -30.994 50.071 -25.665 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -32.304 50.388 -24.503 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -32.684 49.747 -26.119 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -30.718 51.566 -27.662 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -32.404 51.264 -28.145 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -31.834 52.932 -27.902 1.00 0.00 H new ATOM 508 N ALA A 32 -36.111 53.763 -27.279 1.00 0.00 N ATOM 509 CA ALA A 32 -37.555 53.961 -27.280 1.00 0.00 C ATOM 510 C ALA A 32 -38.232 53.080 -26.237 1.00 0.00 C ATOM 511 O ALA A 32 -37.839 51.932 -26.030 1.00 0.00 O ATOM 512 CB ALA A 32 -38.128 53.680 -28.661 1.00 0.00 C ATOM 0 H ALA A 32 -35.737 53.388 -28.151 1.00 0.00 H new ATOM 0 HA ALA A 32 -37.752 55.002 -27.022 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -39.207 53.832 -28.645 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -37.677 54.357 -29.387 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -37.911 52.649 -28.942 1.00 0.00 H new ATOM 518 N GLU A 33 -39.252 53.625 -25.583 1.00 0.00 N ATOM 519 CA GLU A 33 -39.916 52.932 -24.485 1.00 0.00 C ATOM 520 C GLU A 33 -40.345 51.530 -24.898 1.00 0.00 C ATOM 521 O GLU A 33 -41.097 51.358 -25.857 1.00 0.00 O ATOM 522 CB GLU A 33 -41.133 53.728 -24.009 1.00 0.00 C ATOM 523 CG GLU A 33 -41.832 53.141 -22.791 1.00 0.00 C ATOM 524 CD GLU A 33 -43.002 53.967 -22.334 1.00 0.00 C ATOM 525 OE1 GLU A 33 -43.267 54.976 -22.942 1.00 0.00 O ATOM 526 OE2 GLU A 33 -43.632 53.587 -21.375 1.00 0.00 O ATOM 0 H GLU A 33 -39.637 54.545 -25.794 1.00 0.00 H new ATOM 0 HA GLU A 33 -39.202 52.846 -23.666 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -40.818 54.745 -23.777 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -41.850 53.795 -24.827 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -42.175 52.133 -23.025 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -41.115 53.052 -21.975 1.00 0.00 H new ATOM 533 N GLY A 34 -39.862 50.530 -24.169 1.00 0.00 N ATOM 534 CA GLY A 34 -40.257 49.147 -24.408 1.00 0.00 C ATOM 535 C GLY A 34 -39.178 48.390 -25.172 1.00 0.00 C ATOM 536 O GLY A 34 -39.227 47.165 -25.284 1.00 0.00 O ATOM 0 H GLY A 34 -39.195 50.652 -23.407 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -40.448 48.651 -23.456 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -41.189 49.125 -24.972 1.00 0.00 H new ATOM 540 N THR A 35 -38.205 49.126 -25.696 1.00 0.00 N ATOM 541 CA THR A 35 -37.123 48.527 -26.469 1.00 0.00 C ATOM 542 C THR A 35 -36.276 47.601 -25.606 1.00 0.00 C ATOM 543 O THR A 35 -35.855 47.971 -24.510 1.00 0.00 O ATOM 544 CB THR A 35 -36.227 49.610 -27.100 1.00 0.00 C ATOM 545 OG1 THR A 35 -37.005 50.416 -27.994 1.00 0.00 O ATOM 546 CG2 THR A 35 -35.079 48.972 -27.866 1.00 0.00 C ATOM 0 H THR A 35 -38.143 50.140 -25.600 1.00 0.00 H new ATOM 0 HA THR A 35 -37.582 47.941 -27.265 1.00 0.00 H new ATOM 0 HB THR A 35 -35.817 50.231 -26.304 1.00 0.00 H new ATOM 0 HG1 THR A 35 -37.673 50.920 -27.483 1.00 0.00 H new ATOM 0 HG21 THR A 35 -34.457 49.752 -28.305 1.00 0.00 H new ATOM 0 HG22 THR A 35 -34.478 48.368 -27.185 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.478 48.338 -28.658 1.00 0.00 H new ATOM 554 N VAL A 36 -36.029 46.395 -26.106 1.00 0.00 N ATOM 555 CA VAL A 36 -35.180 45.436 -25.411 1.00 0.00 C ATOM 556 C VAL A 36 -33.875 45.209 -26.163 1.00 0.00 C ATOM 557 O VAL A 36 -33.880 44.801 -27.324 1.00 0.00 O ATOM 558 CB VAL A 36 -35.915 44.093 -25.246 1.00 0.00 C ATOM 559 CG1 VAL A 36 -35.015 43.074 -24.561 1.00 0.00 C ATOM 560 CG2 VAL A 36 -37.198 44.298 -24.455 1.00 0.00 C ATOM 0 H VAL A 36 -36.406 46.058 -26.992 1.00 0.00 H new ATOM 0 HA VAL A 36 -34.949 45.849 -24.429 1.00 0.00 H new ATOM 0 HB VAL A 36 -36.172 43.707 -26.232 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -35.550 42.131 -24.452 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -34.120 42.916 -25.163 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -34.729 43.445 -23.577 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -37.712 43.344 -24.342 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -36.958 44.699 -23.470 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -37.844 44.998 -24.985 1.00 0.00 H new ATOM 570 N ARG A 37 -32.758 45.476 -25.494 1.00 0.00 N ATOM 571 CA ARG A 37 -31.443 45.294 -26.096 1.00 0.00 C ATOM 572 C ARG A 37 -30.458 44.697 -25.099 1.00 0.00 C ATOM 573 O ARG A 37 -30.182 45.287 -24.055 1.00 0.00 O ATOM 574 CB ARG A 37 -30.900 46.621 -26.607 1.00 0.00 C ATOM 575 CG ARG A 37 -29.573 46.529 -27.343 1.00 0.00 C ATOM 576 CD ARG A 37 -29.191 47.828 -27.951 1.00 0.00 C ATOM 577 NE ARG A 37 -28.811 48.807 -26.946 1.00 0.00 N ATOM 578 CZ ARG A 37 -28.290 50.020 -27.217 1.00 0.00 C ATOM 579 NH1 ARG A 37 -28.093 50.387 -28.464 1.00 0.00 N ATOM 580 NH2 ARG A 37 -27.976 50.840 -26.229 1.00 0.00 N ATOM 0 H ARG A 37 -32.738 45.819 -24.534 1.00 0.00 H new ATOM 0 HA ARG A 37 -31.559 44.604 -26.931 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -31.638 47.067 -27.274 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -30.784 47.299 -25.762 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -28.794 46.208 -26.651 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -29.640 45.769 -28.121 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -28.361 47.676 -28.641 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -30.026 48.214 -28.536 1.00 0.00 H new ATOM 0 HE ARG A 37 -28.948 48.558 -25.966 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -28.335 49.754 -29.226 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -27.699 51.305 -28.669 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -28.128 50.555 -25.262 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -27.582 51.758 -26.434 1.00 0.00 H new ATOM 594 N VAL A 38 -29.931 43.522 -25.428 1.00 0.00 N ATOM 595 CA VAL A 38 -28.993 42.831 -24.551 1.00 0.00 C ATOM 596 C VAL A 38 -27.625 43.502 -24.571 1.00 0.00 C ATOM 597 O VAL A 38 -27.006 43.639 -25.626 1.00 0.00 O ATOM 598 CB VAL A 38 -28.846 41.359 -24.979 1.00 0.00 C ATOM 599 CG1 VAL A 38 -27.807 40.656 -24.119 1.00 0.00 C ATOM 600 CG2 VAL A 38 -30.191 40.656 -24.883 1.00 0.00 C ATOM 0 H VAL A 38 -30.138 43.028 -26.296 1.00 0.00 H new ATOM 0 HA VAL A 38 -29.391 42.878 -23.537 1.00 0.00 H new ATOM 0 HB VAL A 38 -28.507 41.323 -26.014 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -27.716 39.617 -24.435 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -26.844 41.155 -24.231 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -28.115 40.692 -23.074 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -30.080 39.615 -25.187 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -30.551 40.697 -23.855 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -30.908 41.151 -25.538 1.00 0.00 H new ATOM 610 N LYS A 39 -27.159 43.918 -23.399 1.00 0.00 N ATOM 611 CA LYS A 39 -25.862 44.573 -23.279 1.00 0.00 C ATOM 612 C LYS A 39 -24.743 43.553 -23.112 1.00 0.00 C ATOM 613 O LYS A 39 -23.674 43.687 -23.709 1.00 0.00 O ATOM 614 CB LYS A 39 -25.862 45.551 -22.103 1.00 0.00 C ATOM 615 CG LYS A 39 -24.554 46.310 -21.916 1.00 0.00 C ATOM 616 CD LYS A 39 -24.678 47.362 -20.824 1.00 0.00 C ATOM 617 CE LYS A 39 -23.377 48.131 -20.646 1.00 0.00 C ATOM 618 NZ LYS A 39 -23.487 49.173 -19.589 1.00 0.00 N ATOM 0 H LYS A 39 -27.661 43.813 -22.517 1.00 0.00 H new ATOM 0 HA LYS A 39 -25.683 45.128 -24.200 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -26.668 46.270 -22.244 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -26.083 45.001 -21.188 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -23.758 45.610 -21.661 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -24.271 46.788 -22.854 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -25.481 48.055 -21.074 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -24.951 46.883 -19.884 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -22.577 47.436 -20.389 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -23.101 48.600 -21.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -22.580 49.674 -19.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -24.233 49.851 -19.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -23.725 48.724 -18.682 1.00 0.00 H new ATOM 632 N GLN A 40 -24.995 42.534 -22.298 1.00 0.00 N ATOM 633 CA GLN A 40 -24.017 41.477 -22.069 1.00 0.00 C ATOM 634 C GLN A 40 -24.676 40.103 -22.093 1.00 0.00 C ATOM 635 O GLN A 40 -25.632 39.850 -21.361 1.00 0.00 O ATOM 636 CB GLN A 40 -23.301 41.689 -20.733 1.00 0.00 C ATOM 637 CG GLN A 40 -22.207 40.675 -20.445 1.00 0.00 C ATOM 638 CD GLN A 40 -21.418 41.015 -19.195 1.00 0.00 C ATOM 639 OE1 GLN A 40 -21.431 42.156 -18.726 1.00 0.00 O ATOM 640 NE2 GLN A 40 -20.724 40.024 -18.647 1.00 0.00 N ATOM 0 H GLN A 40 -25.869 42.418 -21.785 1.00 0.00 H new ATOM 0 HA GLN A 40 -23.285 41.521 -22.876 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -22.867 42.689 -20.721 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -24.036 41.651 -19.929 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -22.652 39.686 -20.333 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -21.529 40.624 -21.297 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -20.742 39.095 -19.068 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -20.173 40.192 -17.805 1.00 0.00 H new ATOM 649 N GLU A 41 -24.158 39.219 -22.939 1.00 0.00 N ATOM 650 CA GLU A 41 -24.719 37.882 -23.088 1.00 0.00 C ATOM 651 C GLU A 41 -24.408 37.016 -21.874 1.00 0.00 C ATOM 652 O GLU A 41 -23.271 36.972 -21.405 1.00 0.00 O ATOM 653 CB GLU A 41 -24.179 37.214 -24.354 1.00 0.00 C ATOM 654 CG GLU A 41 -24.804 35.863 -24.669 1.00 0.00 C ATOM 655 CD GLU A 41 -24.301 35.271 -25.956 1.00 0.00 C ATOM 656 OE1 GLU A 41 -23.417 35.844 -26.546 1.00 0.00 O ATOM 657 OE2 GLU A 41 -24.801 34.243 -26.349 1.00 0.00 O ATOM 0 H GLU A 41 -23.350 39.405 -23.532 1.00 0.00 H new ATOM 0 HA GLU A 41 -25.801 37.983 -23.170 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -24.342 37.882 -25.200 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -23.101 37.087 -24.251 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.596 35.173 -23.852 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.887 35.974 -24.725 1.00 0.00 H new ATOM 664 N GLY A 42 -25.426 36.328 -21.368 1.00 0.00 N ATOM 665 CA GLY A 42 -25.256 35.435 -20.228 1.00 0.00 C ATOM 666 C GLY A 42 -24.524 34.161 -20.630 1.00 0.00 C ATOM 667 O GLY A 42 -24.970 33.431 -21.515 1.00 0.00 O ATOM 0 H GLY A 42 -26.379 36.372 -21.730 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -24.698 35.946 -19.443 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -26.231 35.181 -19.813 1.00 0.00 H new ATOM 671 N LYS A 43 -23.398 33.900 -19.975 1.00 0.00 N ATOM 672 CA LYS A 43 -22.625 32.690 -20.231 1.00 0.00 C ATOM 673 C LYS A 43 -22.119 32.074 -18.933 1.00 0.00 C ATOM 674 O LYS A 43 -21.736 32.786 -18.005 1.00 0.00 O ATOM 675 CB LYS A 43 -21.451 32.992 -21.163 1.00 0.00 C ATOM 676 CG LYS A 43 -21.855 33.499 -22.541 1.00 0.00 C ATOM 677 CD LYS A 43 -20.639 33.713 -23.430 1.00 0.00 C ATOM 678 CE LYS A 43 -21.039 34.245 -24.798 1.00 0.00 C ATOM 679 NZ LYS A 43 -19.860 34.453 -25.681 1.00 0.00 N ATOM 0 H LYS A 43 -23.000 34.511 -19.262 1.00 0.00 H new ATOM 0 HA LYS A 43 -23.284 31.969 -20.715 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.809 33.735 -20.690 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -20.856 32.087 -21.283 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.530 32.783 -23.011 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.403 34.436 -22.440 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.955 34.414 -22.951 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.101 32.772 -23.547 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.728 33.546 -25.272 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.573 35.187 -24.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.176 34.816 -26.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -19.214 35.140 -25.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.364 33.549 -25.817 1.00 0.00 H new ATOM 693 N LEU A 44 -22.121 30.747 -18.874 1.00 0.00 N ATOM 694 CA LEU A 44 -21.600 30.031 -17.715 1.00 0.00 C ATOM 695 C LEU A 44 -20.077 30.019 -17.714 1.00 0.00 C ATOM 696 O LEU A 44 -19.447 29.983 -18.771 1.00 0.00 O ATOM 697 CB LEU A 44 -22.129 28.591 -17.700 1.00 0.00 C ATOM 698 CG LEU A 44 -23.644 28.441 -17.509 1.00 0.00 C ATOM 699 CD1 LEU A 44 -24.044 26.989 -17.736 1.00 0.00 C ATOM 700 CD2 LEU A 44 -24.028 28.902 -16.111 1.00 0.00 C ATOM 0 H LEU A 44 -22.478 30.145 -19.616 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.940 30.551 -16.820 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -21.850 28.111 -18.638 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.625 28.047 -16.902 1.00 0.00 H new ATOM 0 HG LEU A 44 -24.174 29.061 -18.233 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -25.120 26.883 -17.600 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -23.775 26.692 -18.750 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.523 26.352 -17.021 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.104 28.795 -15.976 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -23.507 28.294 -15.371 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -23.748 29.948 -15.983 1.00 0.00 H new ATOM 712 N GLY A 45 -19.491 30.049 -16.522 1.00 0.00 N ATOM 713 CA GLY A 45 -18.048 29.905 -16.375 1.00 0.00 C ATOM 714 C GLY A 45 -17.659 28.449 -16.153 1.00 0.00 C ATOM 715 O GLY A 45 -18.461 27.542 -16.375 1.00 0.00 O ATOM 0 H GLY A 45 -19.994 30.172 -15.643 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.549 30.285 -17.266 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.703 30.508 -15.535 1.00 0.00 H new ATOM 719 N LYS A 46 -16.424 28.231 -15.714 1.00 0.00 N ATOM 720 CA LYS A 46 -15.928 26.884 -15.460 1.00 0.00 C ATOM 721 C LYS A 46 -14.627 26.917 -14.667 1.00 0.00 C ATOM 722 O LYS A 46 -13.661 27.566 -15.068 1.00 0.00 O ATOM 723 CB LYS A 46 -15.722 26.132 -16.776 1.00 0.00 C ATOM 724 CG LYS A 46 -15.208 24.708 -16.612 1.00 0.00 C ATOM 725 CD LYS A 46 -14.973 24.047 -17.962 1.00 0.00 C ATOM 726 CE LYS A 46 -16.285 23.628 -18.610 1.00 0.00 C ATOM 727 NZ LYS A 46 -16.065 22.775 -19.809 1.00 0.00 N ATOM 0 H LYS A 46 -15.748 28.971 -15.527 1.00 0.00 H new ATOM 0 HA LYS A 46 -16.677 26.360 -14.866 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.668 26.104 -17.316 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.019 26.691 -17.393 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.279 24.718 -16.043 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.927 24.123 -16.038 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.444 24.737 -18.620 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.333 23.174 -17.835 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.891 23.085 -17.885 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.849 24.516 -18.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.982 22.539 -20.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.480 23.289 -20.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.579 21.899 -19.528 1.00 0.00 H new ATOM 741 N LYS A 47 -14.609 26.214 -13.540 1.00 0.00 N ATOM 742 CA LYS A 47 -13.391 26.055 -12.755 1.00 0.00 C ATOM 743 C LYS A 47 -12.697 24.737 -13.076 1.00 0.00 C ATOM 744 O LYS A 47 -13.254 23.662 -12.856 1.00 0.00 O ATOM 745 CB LYS A 47 -13.702 26.135 -11.260 1.00 0.00 C ATOM 746 CG LYS A 47 -12.480 26.034 -10.357 1.00 0.00 C ATOM 747 CD LYS A 47 -12.868 26.142 -8.889 1.00 0.00 C ATOM 748 CE LYS A 47 -11.652 26.010 -7.984 1.00 0.00 C ATOM 749 NZ LYS A 47 -12.018 26.094 -6.544 1.00 0.00 N ATOM 0 H LYS A 47 -15.426 25.744 -13.149 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.716 26.869 -13.019 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -14.212 27.077 -11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.396 25.335 -11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.973 25.085 -10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.773 26.825 -10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.355 27.100 -8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.592 25.365 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.157 25.058 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.935 26.796 -8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.161 26.000 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.467 27.012 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.682 25.329 -6.309 1.00 0.00 H new ATOM 763 N VAL A 48 -11.478 24.828 -13.598 1.00 0.00 N ATOM 764 CA VAL A 48 -10.717 23.643 -13.976 1.00 0.00 C ATOM 765 C VAL A 48 -9.698 23.277 -12.904 1.00 0.00 C ATOM 766 O VAL A 48 -8.912 24.118 -12.469 1.00 0.00 O ATOM 767 CB VAL A 48 -9.989 23.880 -15.313 1.00 0.00 C ATOM 768 CG1 VAL A 48 -9.141 22.671 -15.679 1.00 0.00 C ATOM 769 CG2 VAL A 48 -11.002 24.180 -16.407 1.00 0.00 C ATOM 0 H VAL A 48 -10.996 25.711 -13.769 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.421 22.818 -14.084 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.325 24.738 -15.208 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.634 22.856 -16.626 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.400 22.496 -14.899 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.781 21.794 -15.775 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.481 24.347 -17.350 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.683 23.336 -16.513 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.569 25.073 -16.143 1.00 0.00 H new ATOM 779 N GLU A 49 -9.717 22.018 -12.482 1.00 0.00 N ATOM 780 CA GLU A 49 -8.755 21.523 -11.505 1.00 0.00 C ATOM 781 C GLU A 49 -8.286 20.117 -11.857 1.00 0.00 C ATOM 782 O GLU A 49 -9.035 19.150 -11.723 1.00 0.00 O ATOM 783 CB GLU A 49 -9.368 21.529 -10.103 1.00 0.00 C ATOM 784 CG GLU A 49 -8.417 21.089 -8.999 1.00 0.00 C ATOM 785 CD GLU A 49 -9.019 21.206 -7.626 1.00 0.00 C ATOM 786 OE1 GLU A 49 -10.101 21.731 -7.516 1.00 0.00 O ATOM 787 OE2 GLU A 49 -8.397 20.769 -6.687 1.00 0.00 O ATOM 0 H GLU A 49 -10.389 21.321 -12.802 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.891 22.188 -11.522 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.724 22.535 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.239 20.874 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.120 20.055 -9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.511 21.693 -9.045 1.00 0.00 H new ATOM 794 N ILE A 50 -7.040 20.010 -12.309 1.00 0.00 N ATOM 795 CA ILE A 50 -6.472 18.723 -12.691 1.00 0.00 C ATOM 796 C ILE A 50 -5.596 18.157 -11.580 1.00 0.00 C ATOM 797 O ILE A 50 -4.602 18.767 -11.188 1.00 0.00 O ATOM 798 CB ILE A 50 -5.644 18.850 -13.983 1.00 0.00 C ATOM 799 CG1 ILE A 50 -6.518 19.370 -15.128 1.00 0.00 C ATOM 800 CG2 ILE A 50 -5.021 17.512 -14.349 1.00 0.00 C ATOM 801 CD1 ILE A 50 -5.740 19.750 -16.366 1.00 0.00 C ATOM 0 H ILE A 50 -6.405 20.800 -12.419 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.303 18.040 -12.866 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.840 19.566 -13.811 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.249 18.605 -15.390 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.076 20.239 -14.780 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.439 17.620 -15.265 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.368 17.181 -13.541 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.808 16.774 -14.504 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.428 20.109 -17.132 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.027 20.537 -16.120 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.203 18.878 -16.740 1.00 0.00 H new ATOM 813 N VAL A 51 -5.972 16.986 -11.077 1.00 0.00 N ATOM 814 CA VAL A 51 -5.298 16.394 -9.928 1.00 0.00 C ATOM 815 C VAL A 51 -4.734 15.020 -10.268 1.00 0.00 C ATOM 816 O VAL A 51 -5.420 14.186 -10.860 1.00 0.00 O ATOM 817 CB VAL A 51 -6.273 16.266 -8.743 1.00 0.00 C ATOM 818 CG1 VAL A 51 -5.590 15.593 -7.561 1.00 0.00 C ATOM 819 CG2 VAL A 51 -6.796 17.640 -8.353 1.00 0.00 C ATOM 0 H VAL A 51 -6.741 16.428 -11.448 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.474 17.052 -9.653 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.116 15.644 -9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.294 15.511 -6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.255 14.598 -7.853 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.731 16.188 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.485 17.542 -7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.961 18.279 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.317 18.085 -9.201 1.00 0.00 H new ATOM 829 N ARG A 52 -3.481 14.790 -9.891 1.00 0.00 N ATOM 830 CA ARG A 52 -2.846 13.493 -10.091 1.00 0.00 C ATOM 831 C ARG A 52 -2.657 12.762 -8.769 1.00 0.00 C ATOM 832 O ARG A 52 -2.030 13.281 -7.845 1.00 0.00 O ATOM 833 CB ARG A 52 -1.496 13.657 -10.774 1.00 0.00 C ATOM 834 CG ARG A 52 -0.756 12.358 -11.050 1.00 0.00 C ATOM 835 CD ARG A 52 0.543 12.599 -11.728 1.00 0.00 C ATOM 836 NE ARG A 52 0.363 13.103 -13.080 1.00 0.00 N ATOM 837 CZ ARG A 52 1.356 13.578 -13.858 1.00 0.00 C ATOM 838 NH1 ARG A 52 2.589 13.607 -13.404 1.00 0.00 N ATOM 839 NH2 ARG A 52 1.090 14.014 -15.077 1.00 0.00 N ATOM 0 H ARG A 52 -2.884 15.486 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.504 12.902 -10.728 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.644 14.181 -11.718 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.865 14.292 -10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.584 11.831 -10.112 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.376 11.711 -11.671 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.128 13.314 -11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.114 11.671 -11.759 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.581 13.097 -13.467 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.794 13.270 -12.463 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.341 13.966 -13.992 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.133 13.991 -15.429 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.842 14.373 -15.665 1.00 0.00 H new ATOM 853 N ILE A 53 -3.202 11.553 -8.683 1.00 0.00 N ATOM 854 CA ILE A 53 -3.180 10.789 -7.442 1.00 0.00 C ATOM 855 C ILE A 53 -2.296 9.555 -7.570 1.00 0.00 C ATOM 856 O ILE A 53 -2.574 8.660 -8.368 1.00 0.00 O ATOM 857 CB ILE A 53 -4.602 10.362 -7.034 1.00 0.00 C ATOM 858 CG1 ILE A 53 -5.498 11.590 -6.854 1.00 0.00 C ATOM 859 CG2 ILE A 53 -4.564 9.535 -5.758 1.00 0.00 C ATOM 860 CD1 ILE A 53 -6.962 11.258 -6.678 1.00 0.00 C ATOM 0 H ILE A 53 -3.665 11.081 -9.460 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.767 11.438 -6.670 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.020 9.745 -7.830 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.156 12.153 -5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.385 12.241 -7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.577 9.242 -5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.959 8.643 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.128 10.127 -4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.532 12.179 -6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.322 10.722 -7.556 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.090 10.633 -5.794 1.00 0.00 H new ATOM 872 N PHE A 54 -1.228 9.514 -6.780 1.00 0.00 N ATOM 873 CA PHE A 54 -0.354 8.348 -6.733 1.00 0.00 C ATOM 874 C PHE A 54 -0.876 7.309 -5.749 1.00 0.00 C ATOM 875 O PHE A 54 -1.013 7.583 -4.557 1.00 0.00 O ATOM 876 CB PHE A 54 1.066 8.759 -6.343 1.00 0.00 C ATOM 877 CG PHE A 54 2.034 7.612 -6.281 1.00 0.00 C ATOM 878 CD1 PHE A 54 2.135 6.713 -7.332 1.00 0.00 C ATOM 879 CD2 PHE A 54 2.845 7.429 -5.171 1.00 0.00 C ATOM 880 CE1 PHE A 54 3.025 5.657 -7.276 1.00 0.00 C ATOM 881 CE2 PHE A 54 3.736 6.375 -5.112 1.00 0.00 C ATOM 882 CZ PHE A 54 3.826 5.488 -6.166 1.00 0.00 C ATOM 0 H PHE A 54 -0.947 10.276 -6.163 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.339 7.905 -7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.432 9.493 -7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.038 9.251 -5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.511 6.839 -8.204 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.779 8.119 -4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.093 4.964 -8.102 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.362 6.245 -4.242 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.522 4.664 -6.121 1.00 0.00 H new ATOM 892 N SER A 55 -1.165 6.115 -6.254 1.00 0.00 N ATOM 893 CA SER A 55 -1.729 5.051 -5.432 1.00 0.00 C ATOM 894 C SER A 55 -0.924 3.764 -5.568 1.00 0.00 C ATOM 895 O SER A 55 -0.462 3.421 -6.656 1.00 0.00 O ATOM 896 CB SER A 55 -3.172 4.798 -5.824 1.00 0.00 C ATOM 897 OG SER A 55 -3.707 3.723 -5.102 1.00 0.00 O ATOM 0 H SER A 55 -1.018 5.859 -7.230 1.00 0.00 H new ATOM 0 HA SER A 55 -1.687 5.372 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.765 5.694 -5.641 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.231 4.589 -6.892 1.00 0.00 H new ATOM 0 HG SER A 55 -4.639 3.580 -5.371 1.00 0.00 H new ATOM 903 N VAL A 56 -0.760 3.056 -4.456 1.00 0.00 N ATOM 904 CA VAL A 56 -0.037 1.789 -4.455 1.00 0.00 C ATOM 905 C VAL A 56 -0.849 0.693 -3.775 1.00 0.00 C ATOM 906 O VAL A 56 -1.263 0.837 -2.625 1.00 0.00 O ATOM 907 CB VAL A 56 1.314 1.946 -3.733 1.00 0.00 C ATOM 908 CG1 VAL A 56 2.027 0.605 -3.641 1.00 0.00 C ATOM 909 CG2 VAL A 56 2.175 2.966 -4.461 1.00 0.00 C ATOM 0 H VAL A 56 -1.118 3.338 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 56 0.134 1.504 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 56 1.134 2.303 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.980 0.734 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.408 -0.099 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.205 0.218 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.129 3.072 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.351 2.630 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.663 3.928 -4.478 1.00 0.00 H new ATOM 919 N ASN A 57 -1.072 -0.402 -4.494 1.00 0.00 N ATOM 920 CA ASN A 57 -1.909 -1.487 -3.996 1.00 0.00 C ATOM 921 C ASN A 57 -3.298 -0.985 -3.623 1.00 0.00 C ATOM 922 O ASN A 57 -3.842 -1.351 -2.581 1.00 0.00 O ATOM 923 CB ASN A 57 -1.251 -2.168 -2.811 1.00 0.00 C ATOM 924 CG ASN A 57 -1.833 -3.525 -2.528 1.00 0.00 C ATOM 925 OD1 ASN A 57 -2.248 -4.241 -3.447 1.00 0.00 O ATOM 926 ND2 ASN A 57 -1.873 -3.894 -1.273 1.00 0.00 N ATOM 0 H ASN A 57 -0.684 -0.561 -5.424 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.021 -2.218 -4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.182 -2.267 -3.001 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.360 -1.538 -1.928 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.258 -4.804 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.519 -3.271 -0.547 1.00 0.00 H new ATOM 933 N LYS A 58 -3.868 -0.144 -4.479 1.00 0.00 N ATOM 934 CA LYS A 58 -5.181 0.436 -4.224 1.00 0.00 C ATOM 935 C LYS A 58 -5.198 1.206 -2.910 1.00 0.00 C ATOM 936 O LYS A 58 -6.104 1.038 -2.093 1.00 0.00 O ATOM 937 CB LYS A 58 -6.254 -0.654 -4.209 1.00 0.00 C ATOM 938 CG LYS A 58 -6.380 -1.430 -5.514 1.00 0.00 C ATOM 939 CD LYS A 58 -7.506 -2.451 -5.443 1.00 0.00 C ATOM 940 CE LYS A 58 -7.611 -3.251 -6.732 1.00 0.00 C ATOM 941 NZ LYS A 58 -8.689 -4.275 -6.666 1.00 0.00 N ATOM 0 H LYS A 58 -3.440 0.151 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.398 1.136 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.032 -1.354 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.216 -0.197 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.565 -0.737 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.440 -1.937 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.334 -3.128 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.450 -1.941 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.804 -2.574 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.658 -3.740 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.727 -4.798 -7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.492 -4.937 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.603 -3.807 -6.499 1.00 0.00 H new ATOM 955 N GLU A 59 -4.192 2.050 -2.711 1.00 0.00 N ATOM 956 CA GLU A 59 -4.096 2.858 -1.501 1.00 0.00 C ATOM 957 C GLU A 59 -3.456 4.209 -1.790 1.00 0.00 C ATOM 958 O GLU A 59 -2.381 4.283 -2.386 1.00 0.00 O ATOM 959 CB GLU A 59 -3.292 2.120 -0.429 1.00 0.00 C ATOM 960 CG GLU A 59 -3.209 2.846 0.906 1.00 0.00 C ATOM 961 CD GLU A 59 -2.436 2.079 1.942 1.00 0.00 C ATOM 962 OE1 GLU A 59 -1.805 1.111 1.590 1.00 0.00 O ATOM 963 OE2 GLU A 59 -2.476 2.461 3.088 1.00 0.00 O ATOM 0 H GLU A 59 -3.430 2.193 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.108 3.030 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.739 1.139 -0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.281 1.953 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.740 3.819 0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.217 3.032 1.276 1.00 0.00 H new ATOM 970 N GLU A 60 -4.122 5.277 -1.364 1.00 0.00 N ATOM 971 CA GLU A 60 -3.620 6.629 -1.580 1.00 0.00 C ATOM 972 C GLU A 60 -2.275 6.834 -0.897 1.00 0.00 C ATOM 973 O GLU A 60 -2.139 6.617 0.307 1.00 0.00 O ATOM 974 CB GLU A 60 -4.627 7.660 -1.065 1.00 0.00 C ATOM 975 CG GLU A 60 -4.220 9.108 -1.299 1.00 0.00 C ATOM 976 CD GLU A 60 -5.247 10.091 -0.811 1.00 0.00 C ATOM 977 OE1 GLU A 60 -6.309 9.667 -0.420 1.00 0.00 O ATOM 978 OE2 GLU A 60 -4.971 11.267 -0.828 1.00 0.00 O ATOM 0 H GLU A 60 -5.011 5.232 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.484 6.766 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.588 7.483 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.773 7.505 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.273 9.300 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.052 9.265 -2.364 1.00 0.00 H new ATOM 985 N VAL A 61 -1.280 7.252 -1.673 1.00 0.00 N ATOM 986 CA VAL A 61 0.040 7.550 -1.132 1.00 0.00 C ATOM 987 C VAL A 61 0.311 9.049 -1.133 1.00 0.00 C ATOM 988 O VAL A 61 0.649 9.629 -0.102 1.00 0.00 O ATOM 989 CB VAL A 61 1.128 6.834 -1.954 1.00 0.00 C ATOM 990 CG1 VAL A 61 2.513 7.210 -1.448 1.00 0.00 C ATOM 991 CG2 VAL A 61 0.921 5.328 -1.888 1.00 0.00 C ATOM 0 H VAL A 61 -1.364 7.392 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 61 0.064 7.192 -0.103 1.00 0.00 H new ATOM 0 HB VAL A 61 1.051 7.152 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.269 6.695 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.653 8.287 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.610 6.918 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.694 4.829 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.979 4.998 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.059 5.077 -2.294 1.00 0.00 H new ATOM 1001 N SER A 62 0.161 9.671 -2.298 1.00 0.00 N ATOM 1002 CA SER A 62 0.391 11.104 -2.436 1.00 0.00 C ATOM 1003 C SER A 62 -0.310 11.658 -3.669 1.00 0.00 C ATOM 1004 O SER A 62 -0.360 11.006 -4.712 1.00 0.00 O ATOM 1005 CB SER A 62 1.878 11.389 -2.517 1.00 0.00 C ATOM 1006 OG SER A 62 2.119 12.760 -2.678 1.00 0.00 O ATOM 0 H SER A 62 -0.119 9.204 -3.161 1.00 0.00 H new ATOM 0 HA SER A 62 -0.024 11.597 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.370 11.034 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.312 10.839 -3.352 1.00 0.00 H new ATOM 0 HG SER A 62 3.085 12.919 -2.726 1.00 0.00 H new ATOM 1012 N ARG A 63 -0.850 12.866 -3.544 1.00 0.00 N ATOM 1013 CA ARG A 63 -1.570 13.500 -4.642 1.00 0.00 C ATOM 1014 C ARG A 63 -1.366 15.010 -4.635 1.00 0.00 C ATOM 1015 O ARG A 63 -1.125 15.608 -3.587 1.00 0.00 O ATOM 1016 CB ARG A 63 -3.058 13.193 -4.556 1.00 0.00 C ATOM 1017 CG ARG A 63 -3.742 13.690 -3.293 1.00 0.00 C ATOM 1018 CD ARG A 63 -5.185 13.340 -3.275 1.00 0.00 C ATOM 1019 NE ARG A 63 -5.795 13.619 -1.985 1.00 0.00 N ATOM 1020 CZ ARG A 63 -6.317 14.808 -1.626 1.00 0.00 C ATOM 1021 NH1 ARG A 63 -6.296 15.816 -2.469 1.00 0.00 N ATOM 1022 NH2 ARG A 63 -6.850 14.960 -0.426 1.00 0.00 N ATOM 0 H ARG A 63 -0.802 13.426 -2.693 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.170 13.095 -5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.556 13.635 -5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.196 12.114 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.252 13.258 -2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.629 14.772 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.704 13.902 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.305 12.283 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.830 12.861 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.885 15.698 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.691 16.716 -2.197 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.866 14.177 0.228 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.245 15.860 -0.154 1.00 0.00 H new ATOM 1036 N GLU A 64 -1.463 15.620 -5.811 1.00 0.00 N ATOM 1037 CA GLU A 64 -1.284 17.061 -5.943 1.00 0.00 C ATOM 1038 C GLU A 64 -1.976 17.590 -7.193 1.00 0.00 C ATOM 1039 O GLU A 64 -2.312 16.827 -8.098 1.00 0.00 O ATOM 1040 CB GLU A 64 0.206 17.412 -5.987 1.00 0.00 C ATOM 1041 CG GLU A 64 0.946 16.862 -7.198 1.00 0.00 C ATOM 1042 CD GLU A 64 2.413 17.187 -7.184 1.00 0.00 C ATOM 1043 OE1 GLU A 64 2.862 17.782 -6.233 1.00 0.00 O ATOM 1044 OE2 GLU A 64 3.087 16.840 -8.125 1.00 0.00 O ATOM 0 H GLU A 64 -1.665 15.138 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.738 17.534 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.312 18.497 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.683 17.034 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.819 15.780 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.498 17.266 -8.106 1.00 0.00 H new ATOM 1051 N ILE A 65 -2.187 18.901 -7.236 1.00 0.00 N ATOM 1052 CA ILE A 65 -2.799 19.541 -8.394 1.00 0.00 C ATOM 1053 C ILE A 65 -1.780 19.761 -9.505 1.00 0.00 C ATOM 1054 O ILE A 65 -0.778 20.450 -9.314 1.00 0.00 O ATOM 1055 CB ILE A 65 -3.435 20.889 -8.005 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -4.547 20.677 -6.975 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -3.975 21.597 -9.238 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -5.056 21.958 -6.354 1.00 0.00 C ATOM 0 H ILE A 65 -1.943 19.542 -6.481 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.578 18.872 -8.760 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.667 21.519 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.379 20.161 -7.454 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.178 20.023 -6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.421 22.548 -8.946 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.160 21.779 -9.939 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.731 20.973 -9.714 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.842 21.727 -5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.237 22.466 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.457 22.606 -7.133 1.00 0.00 H new ATOM 1070 N VAL A 66 -2.042 19.171 -10.666 1.00 0.00 N ATOM 1071 CA VAL A 66 -1.166 19.330 -11.821 1.00 0.00 C ATOM 1072 C VAL A 66 -1.350 20.697 -12.468 1.00 0.00 C ATOM 1073 O VAL A 66 -0.377 21.390 -12.764 1.00 0.00 O ATOM 1074 CB VAL A 66 -1.449 18.230 -12.862 1.00 0.00 C ATOM 1075 CG1 VAL A 66 -0.648 18.480 -14.131 1.00 0.00 C ATOM 1076 CG2 VAL A 66 -1.120 16.866 -12.275 1.00 0.00 C ATOM 0 H VAL A 66 -2.855 18.578 -10.832 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.137 19.246 -11.471 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.507 18.251 -13.122 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.860 17.694 -14.856 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.926 19.446 -14.552 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.416 18.479 -13.896 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.322 16.093 -13.016 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.067 16.834 -11.996 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.735 16.692 -11.392 1.00 0.00 H new ATOM 1086 N SER A 67 -2.604 21.078 -12.687 1.00 0.00 N ATOM 1087 CA SER A 67 -2.917 22.348 -13.331 1.00 0.00 C ATOM 1088 C SER A 67 -4.331 22.804 -12.992 1.00 0.00 C ATOM 1089 O SER A 67 -5.229 21.984 -12.803 1.00 0.00 O ATOM 1090 CB SER A 67 -2.763 22.223 -14.834 1.00 0.00 C ATOM 1091 OG SER A 67 -3.076 23.430 -15.473 1.00 0.00 O ATOM 0 H SER A 67 -3.421 20.525 -12.428 1.00 0.00 H new ATOM 0 HA SER A 67 -2.218 23.096 -12.957 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.740 21.934 -15.076 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.414 21.431 -15.205 1.00 0.00 H new ATOM 0 HG SER A 67 -2.968 23.325 -16.441 1.00 0.00 H new ATOM 1097 N THR A 68 -4.521 24.117 -12.917 1.00 0.00 N ATOM 1098 CA THR A 68 -5.818 24.684 -12.567 1.00 0.00 C ATOM 1099 C THR A 68 -6.038 26.023 -13.258 1.00 0.00 C ATOM 1100 O THR A 68 -5.089 26.766 -13.510 1.00 0.00 O ATOM 1101 CB THR A 68 -5.954 24.859 -11.043 1.00 0.00 C ATOM 1102 OG1 THR A 68 -7.274 25.320 -10.729 1.00 0.00 O ATOM 1103 CG2 THR A 68 -4.934 25.863 -10.529 1.00 0.00 C ATOM 0 H THR A 68 -3.793 24.809 -13.094 1.00 0.00 H new ATOM 0 HA THR A 68 -6.579 23.984 -12.910 1.00 0.00 H new ATOM 0 HB THR A 68 -5.774 23.897 -10.564 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.879 25.109 -11.470 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.045 25.974 -9.450 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.928 25.509 -10.756 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.097 26.827 -11.012 1.00 0.00 H new ATOM 1111 N SER A 69 -7.296 26.327 -13.562 1.00 0.00 N ATOM 1112 CA SER A 69 -7.643 27.582 -14.219 1.00 0.00 C ATOM 1113 C SER A 69 -9.131 27.881 -14.083 1.00 0.00 C ATOM 1114 O SER A 69 -9.974 27.078 -14.484 1.00 0.00 O ATOM 1115 CB SER A 69 -7.261 27.527 -15.685 1.00 0.00 C ATOM 1116 OG SER A 69 -7.621 28.710 -16.343 1.00 0.00 O ATOM 0 H SER A 69 -8.092 25.721 -13.364 1.00 0.00 H new ATOM 0 HA SER A 69 -7.087 28.382 -13.731 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.187 27.367 -15.779 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.752 26.678 -16.161 1.00 0.00 H new ATOM 0 HG SER A 69 -7.363 28.651 -17.287 1.00 0.00 H new ATOM 1122 N THR A 70 -9.447 29.040 -13.517 1.00 0.00 N ATOM 1123 CA THR A 70 -10.834 29.434 -13.300 1.00 0.00 C ATOM 1124 C THR A 70 -11.312 30.389 -14.386 1.00 0.00 C ATOM 1125 O THR A 70 -10.764 31.478 -14.553 1.00 0.00 O ATOM 1126 CB THR A 70 -11.014 30.090 -11.918 1.00 0.00 C ATOM 1127 OG1 THR A 70 -10.650 29.157 -10.892 1.00 0.00 O ATOM 1128 CG2 THR A 70 -12.459 30.520 -11.717 1.00 0.00 C ATOM 0 H THR A 70 -8.760 29.724 -13.200 1.00 0.00 H new ATOM 0 HA THR A 70 -11.437 28.527 -13.341 1.00 0.00 H new ATOM 0 HB THR A 70 -10.372 30.969 -11.863 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.763 29.576 -10.013 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.568 30.981 -10.736 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.735 31.239 -12.489 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.110 29.649 -11.783 1.00 0.00 H new ATOM 1136 N THR A 71 -12.337 29.974 -15.122 1.00 0.00 N ATOM 1137 CA THR A 71 -12.959 30.833 -16.123 1.00 0.00 C ATOM 1138 C THR A 71 -14.155 31.577 -15.543 1.00 0.00 C ATOM 1139 O THR A 71 -15.134 30.963 -15.119 1.00 0.00 O ATOM 1140 CB THR A 71 -13.403 30.020 -17.353 1.00 0.00 C ATOM 1141 OG1 THR A 71 -12.258 29.413 -17.967 1.00 0.00 O ATOM 1142 CG2 THR A 71 -14.099 30.918 -18.364 1.00 0.00 C ATOM 0 H THR A 71 -12.755 29.047 -15.044 1.00 0.00 H new ATOM 0 HA THR A 71 -12.210 31.561 -16.434 1.00 0.00 H new ATOM 0 HB THR A 71 -14.101 29.249 -17.027 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.542 28.895 -18.749 1.00 0.00 H new ATOM 0 HG21 THR A 71 -14.406 30.326 -19.226 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.977 31.371 -17.904 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.414 31.702 -18.687 1.00 0.00 H new ATOM 1150 N ALA A 72 -14.069 32.903 -15.528 1.00 0.00 N ATOM 1151 CA ALA A 72 -15.116 33.731 -14.940 1.00 0.00 C ATOM 1152 C ALA A 72 -16.398 33.662 -15.759 1.00 0.00 C ATOM 1153 O ALA A 72 -16.359 33.605 -16.988 1.00 0.00 O ATOM 1154 CB ALA A 72 -14.644 35.173 -14.818 1.00 0.00 C ATOM 0 H ALA A 72 -13.285 33.427 -15.916 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.331 33.344 -13.944 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -15.436 35.779 -14.378 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.760 35.214 -14.182 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.398 35.560 -15.807 1.00 0.00 H new ATOM 1160 N PRO A 73 -17.535 33.666 -15.071 1.00 0.00 N ATOM 1161 CA PRO A 73 -18.833 33.654 -15.735 1.00 0.00 C ATOM 1162 C PRO A 73 -19.160 35.017 -16.330 1.00 0.00 C ATOM 1163 O PRO A 73 -18.497 36.011 -16.032 1.00 0.00 O ATOM 1164 CB PRO A 73 -19.796 33.286 -14.602 1.00 0.00 C ATOM 1165 CG PRO A 73 -19.162 33.863 -13.382 1.00 0.00 C ATOM 1166 CD PRO A 73 -17.687 33.649 -13.589 1.00 0.00 C ATOM 0 HA PRO A 73 -18.882 32.961 -16.575 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -20.788 33.704 -14.771 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.916 32.206 -14.516 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.399 34.922 -13.274 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.513 33.364 -12.478 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.098 34.435 -13.117 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.356 32.702 -13.163 1.00 0.00 H new ATOM 1174 N SER A 74 -20.186 35.059 -17.173 1.00 0.00 N ATOM 1175 CA SER A 74 -20.628 36.308 -17.781 1.00 0.00 C ATOM 1176 C SER A 74 -22.072 36.621 -17.408 1.00 0.00 C ATOM 1177 O SER A 74 -23.007 36.112 -18.026 1.00 0.00 O ATOM 1178 CB SER A 74 -20.491 36.231 -19.289 1.00 0.00 C ATOM 1179 OG SER A 74 -20.968 37.400 -19.897 1.00 0.00 O ATOM 0 H SER A 74 -20.728 34.241 -17.451 1.00 0.00 H new ATOM 0 HA SER A 74 -19.995 37.110 -17.401 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.445 36.079 -19.555 1.00 0.00 H new ATOM 0 HB3 SER A 74 -21.044 35.370 -19.664 1.00 0.00 H new ATOM 0 HG SER A 74 -21.775 37.194 -20.414 1.00 0.00 H new ATOM 1185 N PRO A 75 -22.247 37.461 -16.394 1.00 0.00 N ATOM 1186 CA PRO A 75 -23.574 37.912 -15.992 1.00 0.00 C ATOM 1187 C PRO A 75 -24.325 38.528 -17.166 1.00 0.00 C ATOM 1188 O PRO A 75 -23.741 39.239 -17.984 1.00 0.00 O ATOM 1189 CB PRO A 75 -23.272 38.950 -14.907 1.00 0.00 C ATOM 1190 CG PRO A 75 -21.953 38.527 -14.354 1.00 0.00 C ATOM 1191 CD PRO A 75 -21.185 38.037 -15.552 1.00 0.00 C ATOM 0 HA PRO A 75 -24.216 37.105 -15.639 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -23.226 39.957 -15.321 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -24.043 38.957 -14.137 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -21.442 39.357 -13.867 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -22.069 37.741 -13.607 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -20.660 38.848 -16.058 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -20.436 37.294 -15.278 1.00 0.00 H new ATOM 1199 N ARG A 76 -25.622 38.252 -17.242 1.00 0.00 N ATOM 1200 CA ARG A 76 -26.443 38.729 -18.348 1.00 0.00 C ATOM 1201 C ARG A 76 -27.044 40.094 -18.041 1.00 0.00 C ATOM 1202 O ARG A 76 -27.721 40.272 -17.028 1.00 0.00 O ATOM 1203 CB ARG A 76 -27.562 37.742 -18.649 1.00 0.00 C ATOM 1204 CG ARG A 76 -28.380 38.061 -19.890 1.00 0.00 C ATOM 1205 CD ARG A 76 -29.076 36.858 -20.413 1.00 0.00 C ATOM 1206 NE ARG A 76 -30.166 36.441 -19.544 1.00 0.00 N ATOM 1207 CZ ARG A 76 -30.764 35.234 -19.593 1.00 0.00 C ATOM 1208 NH1 ARG A 76 -30.368 34.339 -20.470 1.00 0.00 N ATOM 1209 NH2 ARG A 76 -31.748 34.951 -18.757 1.00 0.00 N ATOM 0 H ARG A 76 -26.128 37.700 -16.550 1.00 0.00 H new ATOM 0 HA ARG A 76 -25.795 38.820 -19.220 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.129 36.748 -18.762 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.232 37.702 -17.790 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.113 38.832 -19.654 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -27.727 38.468 -20.662 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -29.466 37.068 -21.409 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -28.361 36.041 -20.516 1.00 0.00 H new ATOM 0 HE ARG A 76 -30.501 37.109 -18.849 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -29.608 34.558 -21.114 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -30.821 33.426 -20.507 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -32.054 35.646 -18.076 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -32.201 34.038 -18.793 1.00 0.00 H new ATOM 1223 N ILE A 77 -26.792 41.058 -18.921 1.00 0.00 N ATOM 1224 CA ILE A 77 -27.295 42.414 -18.737 1.00 0.00 C ATOM 1225 C ILE A 77 -28.183 42.834 -19.902 1.00 0.00 C ATOM 1226 O ILE A 77 -27.767 42.791 -21.059 1.00 0.00 O ATOM 1227 CB ILE A 77 -26.135 43.415 -18.588 1.00 0.00 C ATOM 1228 CG1 ILE A 77 -25.253 43.036 -17.396 1.00 0.00 C ATOM 1229 CG2 ILE A 77 -26.671 44.829 -18.430 1.00 0.00 C ATOM 1230 CD1 ILE A 77 -23.981 43.847 -17.295 1.00 0.00 C ATOM 0 H ILE A 77 -26.242 40.925 -19.769 1.00 0.00 H new ATOM 0 HA ILE A 77 -27.889 42.419 -17.823 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.526 43.378 -19.491 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.826 43.161 -16.478 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -24.994 41.980 -17.469 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.838 45.524 -18.326 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -27.259 45.096 -19.308 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -27.301 44.882 -17.542 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -23.409 43.521 -16.426 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -23.385 43.703 -18.196 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -24.230 44.903 -17.190 1.00 0.00 H new ATOM 1242 N VAL A 78 -29.409 43.240 -19.588 1.00 0.00 N ATOM 1243 CA VAL A 78 -30.372 43.628 -20.611 1.00 0.00 C ATOM 1244 C VAL A 78 -30.848 45.060 -20.404 1.00 0.00 C ATOM 1245 O VAL A 78 -31.197 45.454 -19.291 1.00 0.00 O ATOM 1246 CB VAL A 78 -31.585 42.679 -20.591 1.00 0.00 C ATOM 1247 CG1 VAL A 78 -32.614 43.107 -21.627 1.00 0.00 C ATOM 1248 CG2 VAL A 78 -31.128 41.250 -20.842 1.00 0.00 C ATOM 0 H VAL A 78 -29.759 43.309 -18.632 1.00 0.00 H new ATOM 0 HA VAL A 78 -29.873 43.562 -21.578 1.00 0.00 H new ATOM 0 HB VAL A 78 -32.056 42.727 -19.609 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -33.464 42.425 -21.599 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -32.953 44.119 -21.406 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -32.163 43.084 -22.619 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -31.991 40.584 -20.827 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -30.640 41.190 -21.815 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -30.425 40.951 -20.065 1.00 0.00 H new ATOM 1258 N GLU A 79 -30.860 45.836 -21.483 1.00 0.00 N ATOM 1259 CA GLU A 79 -31.328 47.216 -21.429 1.00 0.00 C ATOM 1260 C GLU A 79 -32.812 47.308 -21.761 1.00 0.00 C ATOM 1261 O GLU A 79 -33.312 46.581 -22.620 1.00 0.00 O ATOM 1262 CB GLU A 79 -30.525 48.090 -22.394 1.00 0.00 C ATOM 1263 CG GLU A 79 -29.041 48.188 -22.067 1.00 0.00 C ATOM 1264 CD GLU A 79 -28.284 49.053 -23.036 1.00 0.00 C ATOM 1265 OE1 GLU A 79 -28.881 49.525 -23.974 1.00 0.00 O ATOM 1266 OE2 GLU A 79 -27.108 49.244 -22.837 1.00 0.00 O ATOM 0 H GLU A 79 -30.551 45.532 -22.406 1.00 0.00 H new ATOM 0 HA GLU A 79 -31.181 47.577 -20.411 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -30.637 47.693 -23.403 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -30.951 49.093 -22.397 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -28.922 48.589 -21.060 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -28.608 47.188 -22.065 1.00 0.00 H new ATOM 1273 N LYS A 80 -33.512 48.206 -21.076 1.00 0.00 N ATOM 1274 CA LYS A 80 -34.931 48.426 -21.328 1.00 0.00 C ATOM 1275 C LYS A 80 -35.217 49.893 -21.622 1.00 0.00 C ATOM 1276 O LYS A 80 -35.019 50.757 -20.768 1.00 0.00 O ATOM 1277 CB LYS A 80 -35.767 47.956 -20.137 1.00 0.00 C ATOM 1278 CG LYS A 80 -37.270 48.116 -20.320 1.00 0.00 C ATOM 1279 CD LYS A 80 -38.032 47.615 -19.102 1.00 0.00 C ATOM 1280 CE LYS A 80 -39.532 47.811 -19.267 1.00 0.00 C ATOM 1281 NZ LYS A 80 -40.289 47.340 -18.076 1.00 0.00 N ATOM 0 H LYS A 80 -33.119 48.794 -20.341 1.00 0.00 H new ATOM 0 HA LYS A 80 -35.207 47.842 -22.206 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -35.547 46.906 -19.946 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -35.460 48.512 -19.251 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -37.508 49.165 -20.494 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -37.591 47.566 -21.204 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -37.817 46.558 -18.945 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -37.690 48.145 -18.213 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -39.743 48.867 -19.437 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -39.873 47.271 -20.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -41.306 47.491 -18.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -40.108 46.327 -17.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -39.982 47.872 -17.237 1.00 0.00 H new ATOM 1295 N GLY A 81 -35.685 50.168 -22.835 1.00 0.00 N ATOM 1296 CA GLY A 81 -35.932 51.538 -23.268 1.00 0.00 C ATOM 1297 C GLY A 81 -36.987 52.209 -22.397 1.00 0.00 C ATOM 1298 O GLY A 81 -37.969 51.581 -22.001 1.00 0.00 O ATOM 0 H GLY A 81 -35.901 49.459 -23.536 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -35.004 52.109 -23.225 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -36.260 51.540 -24.308 1.00 0.00 H new ATOM 1302 N THR A 82 -36.778 53.487 -22.103 1.00 0.00 N ATOM 1303 CA THR A 82 -37.703 54.242 -21.265 1.00 0.00 C ATOM 1304 C THR A 82 -37.684 55.723 -21.621 1.00 0.00 C ATOM 1305 O THR A 82 -37.130 56.118 -22.646 1.00 0.00 O ATOM 1306 CB THR A 82 -37.370 54.064 -19.772 1.00 0.00 C ATOM 1307 OG1 THR A 82 -38.414 54.639 -18.976 1.00 0.00 O ATOM 1308 CG2 THR A 82 -36.050 54.740 -19.436 1.00 0.00 C ATOM 0 H THR A 82 -35.975 54.023 -22.433 1.00 0.00 H new ATOM 0 HA THR A 82 -38.702 53.849 -21.452 1.00 0.00 H new ATOM 0 HB THR A 82 -37.285 52.999 -19.558 1.00 0.00 H new ATOM 0 HG1 THR A 82 -38.202 54.524 -18.026 1.00 0.00 H new ATOM 0 HG21 THR A 82 -35.831 54.604 -18.377 1.00 0.00 H new ATOM 0 HG22 THR A 82 -35.252 54.296 -20.032 1.00 0.00 H new ATOM 0 HG23 THR A 82 -36.120 55.805 -19.658 1.00 0.00 H new ATOM 1316 N LYS A 83 -38.294 56.539 -20.767 1.00 0.00 N ATOM 1317 CA LYS A 83 -38.367 57.976 -21.000 1.00 0.00 C ATOM 1318 C LYS A 83 -38.202 58.754 -19.701 1.00 0.00 C ATOM 1319 O LYS A 83 -39.151 58.907 -18.933 1.00 0.00 O ATOM 1320 CB LYS A 83 -39.693 58.343 -21.668 1.00 0.00 C ATOM 1321 CG LYS A 83 -39.828 59.816 -22.031 1.00 0.00 C ATOM 1322 CD LYS A 83 -41.142 60.091 -22.747 1.00 0.00 C ATOM 1323 CE LYS A 83 -41.290 61.566 -23.088 1.00 0.00 C ATOM 1324 NZ LYS A 83 -42.571 61.850 -23.790 1.00 0.00 N ATOM 0 H LYS A 83 -38.745 56.228 -19.907 1.00 0.00 H new ATOM 0 HA LYS A 83 -37.548 58.248 -21.666 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -39.807 57.746 -22.573 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -40.510 58.069 -21.000 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -39.770 60.422 -21.127 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -38.995 60.114 -22.668 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -41.191 59.498 -23.660 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -41.974 59.776 -22.117 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -41.239 62.156 -22.173 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -40.456 61.878 -23.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -42.632 62.866 -24.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -42.609 61.307 -24.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -43.369 61.576 -23.181 1.00 0.00 H new