USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 637 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 62 ASN : amide:sc= -5.77! C(o=-7.1!,f=-5.2!) USER MOD Set 1.2: A 83 GLN : amide:sc= -1.34 K(o=-7.1,f=-13!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 27 ASN : amide:sc= -0.095 K(o=-0.095,f=-3.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=-0.022) USER MOD Single : A 36 TYR OH : rot 130:sc= 0.425 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.944 K(o=-0.94,f=-3.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.675 X(o=-0.67,f=-0.26) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0092 USER MOD Single : A 71 HIS : no HD1:sc= -12.6! C(o=-13!,f=-11!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.788 K(o=-0.79,f=-9.4!) USER MOD Single : A 77 THR OG1 : rot 20:sc= -2.38! USER MOD Single : A 80 ASN : amide:sc= 1.09 K(o=1.1,f=-0.61) USER MOD Single : A 81 THR OG1 : rot -89:sc= -0.371 USER MOD Single : A 86 HIS : no HD1:sc= -0.714 X(o=-0.71,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.667 -2.540 -5.410 1.00 15.00 N ATOM 73 CA ILE A 6 -10.221 -2.442 -5.482 1.00 15.00 C ATOM 74 C ILE A 6 -9.778 -1.201 -6.254 1.00 15.00 C ATOM 75 O ILE A 6 -10.436 -0.776 -7.203 1.00 15.00 O ATOM 76 CB ILE A 6 -9.650 -3.706 -6.158 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.136 -4.688 -5.105 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.541 -3.358 -7.147 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.229 -5.258 -4.227 1.00 15.00 C ATOM 0 HA ILE A 6 -9.838 -2.358 -4.465 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.458 -4.178 -6.717 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.618 -5.507 -5.605 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.402 -4.183 -4.477 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.162 -4.272 -7.605 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.937 -2.702 -7.922 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.731 -2.852 -6.622 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.793 -5.946 -3.503 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.732 -4.447 -3.699 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.951 -5.791 -4.845 1.00 15.00 H new ATOM 91 N PHE A 7 -8.642 -0.641 -5.850 1.00 15.00 N ATOM 92 CA PHE A 7 -8.089 0.532 -6.514 1.00 15.00 C ATOM 93 C PHE A 7 -6.567 0.429 -6.589 1.00 15.00 C ATOM 94 O PHE A 7 -5.963 -0.395 -5.907 1.00 15.00 O ATOM 95 CB PHE A 7 -8.514 1.819 -5.794 1.00 15.00 C ATOM 96 CG PHE A 7 -7.705 2.143 -4.567 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.418 2.646 -4.680 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.237 1.953 -3.302 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.678 2.951 -3.555 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.501 2.259 -2.173 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.219 2.758 -2.301 1.00 15.00 C ATOM 0 H PHE A 7 -8.087 -0.982 -5.065 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.483 0.571 -7.529 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.441 2.652 -6.493 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.563 1.732 -5.510 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.989 2.801 -5.659 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.238 1.561 -3.197 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.676 3.341 -3.657 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.927 2.108 -1.192 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.641 2.997 -1.420 1.00 15.00 H new ATOM 111 N GLU A 8 -5.955 1.260 -7.425 1.00 15.00 N ATOM 112 CA GLU A 8 -4.504 1.244 -7.589 1.00 15.00 C ATOM 113 C GLU A 8 -3.910 2.642 -7.468 1.00 15.00 C ATOM 114 O GLU A 8 -4.483 3.623 -7.942 1.00 15.00 O ATOM 115 CB GLU A 8 -4.136 0.650 -8.944 1.00 15.00 C ATOM 116 CG GLU A 8 -4.845 1.315 -10.104 1.00 15.00 C ATOM 117 CD GLU A 8 -5.458 0.317 -11.068 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.826 -0.730 -11.319 1.00 15.00 O ATOM 119 OE2 GLU A 8 -6.569 0.584 -11.571 1.00 15.00 O ATOM 0 H GLU A 8 -6.438 1.952 -7.999 1.00 15.00 H new ATOM 0 HA GLU A 8 -4.089 0.628 -6.791 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -3.059 0.735 -9.089 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.375 -0.414 -8.943 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.627 1.969 -9.719 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.138 1.946 -10.642 1.00 15.00 H new ATOM 126 N VAL A 9 -2.743 2.710 -6.844 1.00 15.00 N ATOM 127 CA VAL A 9 -2.025 3.967 -6.661 1.00 15.00 C ATOM 128 C VAL A 9 -0.898 4.071 -7.680 1.00 15.00 C ATOM 129 O VAL A 9 0.018 3.250 -7.690 1.00 15.00 O ATOM 130 CB VAL A 9 -1.463 4.110 -5.218 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.533 2.787 -4.467 1.00 15.00 C ATOM 132 CG2 VAL A 9 -0.033 4.640 -5.225 1.00 15.00 C ATOM 0 H VAL A 9 -2.266 1.899 -6.450 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.733 4.781 -6.816 1.00 15.00 H new ATOM 0 HB VAL A 9 -2.090 4.835 -4.699 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -1.133 2.918 -3.461 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.570 2.458 -4.405 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.946 2.037 -4.996 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.328 4.727 -4.200 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.607 3.952 -5.778 1.00 15.00 H new ATOM 0 HG23 VAL A 9 -0.010 5.620 -5.702 1.00 15.00 H new ATOM 142 N GLU A 10 -0.981 5.070 -8.546 1.00 15.00 N ATOM 143 CA GLU A 10 0.025 5.259 -9.579 1.00 15.00 C ATOM 144 C GLU A 10 0.943 6.439 -9.279 1.00 15.00 C ATOM 145 O GLU A 10 0.846 7.491 -9.913 1.00 15.00 O ATOM 146 CB GLU A 10 -0.657 5.452 -10.928 1.00 15.00 C ATOM 147 CG GLU A 10 0.312 5.640 -12.084 1.00 15.00 C ATOM 148 CD GLU A 10 0.909 4.331 -12.563 1.00 15.00 C ATOM 149 OE1 GLU A 10 1.529 3.625 -11.741 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.756 4.013 -13.761 1.00 15.00 O ATOM 0 H GLU A 10 -1.732 5.760 -8.554 1.00 15.00 H new ATOM 0 HA GLU A 10 0.648 4.365 -9.604 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.288 4.587 -11.132 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.314 6.320 -10.872 1.00 15.00 H new ATOM 0 HG2 GLU A 10 -0.206 6.124 -12.912 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.115 6.310 -11.775 1.00 15.00 H new ATOM 157 N LEU A 11 1.849 6.252 -8.327 1.00 15.00 N ATOM 158 CA LEU A 11 2.802 7.295 -7.966 1.00 15.00 C ATOM 159 C LEU A 11 4.046 7.185 -8.841 1.00 15.00 C ATOM 160 O LEU A 11 4.249 6.172 -9.505 1.00 15.00 O ATOM 161 CB LEU A 11 3.188 7.190 -6.489 1.00 15.00 C ATOM 162 CG LEU A 11 3.511 8.521 -5.800 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.291 9.431 -5.772 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.025 8.278 -4.389 1.00 15.00 C ATOM 0 H LEU A 11 1.944 5.389 -7.791 1.00 15.00 H new ATOM 0 HA LEU A 11 2.332 8.265 -8.129 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.371 6.710 -5.950 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.055 6.535 -6.403 1.00 15.00 H new ATOM 0 HG LEU A 11 4.292 9.019 -6.375 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.547 10.368 -5.278 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.966 9.636 -6.792 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.485 8.942 -5.226 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.250 9.233 -3.914 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.264 7.755 -3.810 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.930 7.672 -4.431 1.00 15.00 H new ATOM 176 N ALA A 12 4.875 8.221 -8.846 1.00 15.00 N ATOM 177 CA ALA A 12 6.090 8.206 -9.654 1.00 15.00 C ATOM 178 C ALA A 12 7.290 7.742 -8.836 1.00 15.00 C ATOM 179 O ALA A 12 7.934 8.534 -8.149 1.00 15.00 O ATOM 180 CB ALA A 12 6.354 9.577 -10.251 1.00 15.00 C ATOM 0 H ALA A 12 4.732 9.074 -8.306 1.00 15.00 H new ATOM 0 HA ALA A 12 5.940 7.496 -10.467 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.264 9.544 -10.850 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.514 9.866 -10.883 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.473 10.306 -9.450 1.00 15.00 H new ATOM 186 N LYS A 13 7.580 6.449 -8.918 1.00 15.00 N ATOM 187 CA LYS A 13 8.700 5.860 -8.193 1.00 15.00 C ATOM 188 C LYS A 13 10.004 6.590 -8.504 1.00 15.00 C ATOM 189 O LYS A 13 10.905 6.660 -7.668 1.00 15.00 O ATOM 190 CB LYS A 13 8.824 4.377 -8.546 1.00 15.00 C ATOM 191 CG LYS A 13 9.293 3.515 -7.390 1.00 15.00 C ATOM 192 CD LYS A 13 10.703 3.878 -6.963 1.00 15.00 C ATOM 193 CE LYS A 13 10.711 4.557 -5.605 1.00 15.00 C ATOM 194 NZ LYS A 13 11.950 4.250 -4.837 1.00 15.00 N ATOM 0 H LYS A 13 7.051 5.784 -9.483 1.00 15.00 H new ATOM 0 HA LYS A 13 8.508 5.960 -7.125 1.00 15.00 H new ATOM 0 HB2 LYS A 13 7.857 4.012 -8.891 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.521 4.267 -9.377 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.614 3.635 -6.546 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.258 2.465 -7.680 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.317 2.978 -6.926 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.151 4.539 -7.705 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.624 5.635 -5.738 1.00 15.00 H new ATOM 0 HE3 LYS A 13 9.841 4.235 -5.033 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 11.916 4.732 -3.916 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.020 3.223 -4.688 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.780 4.580 -5.370 1.00 15.00 H new ATOM 259 N LEU A 18 8.603 6.713 -1.742 1.00 15.00 N ATOM 260 CA LEU A 18 7.342 6.805 -1.029 1.00 15.00 C ATOM 261 C LEU A 18 7.497 7.668 0.218 1.00 15.00 C ATOM 262 O LEU A 18 8.522 8.320 0.412 1.00 15.00 O ATOM 263 CB LEU A 18 6.819 5.412 -0.649 1.00 15.00 C ATOM 264 CG LEU A 18 6.676 4.423 -1.810 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.033 5.094 -3.015 1.00 15.00 C ATOM 266 CD2 LEU A 18 8.030 3.837 -2.183 1.00 15.00 C ATOM 0 HA LEU A 18 6.614 7.272 -1.693 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.491 4.980 0.093 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.847 5.526 -0.170 1.00 15.00 H new ATOM 0 HG LEU A 18 6.026 3.610 -1.487 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.942 4.373 -3.827 1.00 15.00 H new ATOM 0 HD12 LEU A 18 5.043 5.461 -2.742 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.653 5.930 -3.340 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.908 3.137 -3.009 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.703 4.640 -2.484 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.449 3.314 -1.323 1.00 15.00 H new ATOM 278 N GLY A 19 6.471 7.663 1.055 1.00 15.00 N ATOM 279 CA GLY A 19 6.492 8.445 2.276 1.00 15.00 C ATOM 280 C GLY A 19 5.461 7.959 3.262 1.00 15.00 C ATOM 281 O GLY A 19 4.907 8.739 4.032 1.00 15.00 O ATOM 0 H GLY A 19 5.616 7.126 0.909 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.483 8.390 2.727 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.306 9.493 2.041 1.00 15.00 H new ATOM 285 N ILE A 20 5.189 6.665 3.217 1.00 15.00 N ATOM 286 CA ILE A 20 4.206 6.058 4.094 1.00 15.00 C ATOM 287 C ILE A 20 4.848 5.109 5.098 1.00 15.00 C ATOM 288 O ILE A 20 5.729 4.322 4.754 1.00 15.00 O ATOM 289 CB ILE A 20 3.143 5.295 3.275 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.758 5.863 3.565 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.183 3.807 3.585 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.632 4.888 3.321 1.00 15.00 C ATOM 0 H ILE A 20 5.640 6.012 2.576 1.00 15.00 H new ATOM 0 HA ILE A 20 3.730 6.868 4.646 1.00 15.00 H new ATOM 0 HB ILE A 20 3.365 5.423 2.215 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.722 6.192 4.604 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.601 6.746 2.945 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.425 3.292 2.995 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.167 3.410 3.337 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.986 3.651 4.646 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.320 5.367 3.550 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.640 4.577 2.276 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.762 4.015 3.960 1.00 15.00 H new ATOM 304 N SER A 21 4.353 5.153 6.324 1.00 15.00 N ATOM 305 CA SER A 21 4.821 4.261 7.368 1.00 15.00 C ATOM 306 C SER A 21 3.860 3.079 7.429 1.00 15.00 C ATOM 307 O SER A 21 2.759 3.196 7.962 1.00 15.00 O ATOM 308 CB SER A 21 4.884 4.994 8.712 1.00 15.00 C ATOM 309 OG SER A 21 5.291 4.121 9.752 1.00 15.00 O ATOM 0 H SER A 21 3.623 5.801 6.620 1.00 15.00 H new ATOM 0 HA SER A 21 5.829 3.909 7.150 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.580 5.830 8.641 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.906 5.413 8.947 1.00 15.00 H new ATOM 0 HG SER A 21 5.325 4.614 10.598 1.00 15.00 H new ATOM 315 N VAL A 22 4.252 1.960 6.827 1.00 15.00 N ATOM 316 CA VAL A 22 3.380 0.789 6.769 1.00 15.00 C ATOM 317 C VAL A 22 3.634 -0.189 7.912 1.00 15.00 C ATOM 318 O VAL A 22 4.742 -0.277 8.440 1.00 15.00 O ATOM 319 CB VAL A 22 3.524 0.039 5.420 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.732 1.011 4.267 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.662 -0.969 5.468 1.00 15.00 C ATOM 0 H VAL A 22 5.159 1.838 6.376 1.00 15.00 H new ATOM 0 HA VAL A 22 2.364 1.173 6.865 1.00 15.00 H new ATOM 0 HB VAL A 22 2.593 -0.501 5.250 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.829 0.454 3.335 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.877 1.684 4.200 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.638 1.591 4.439 1.00 15.00 H new ATOM 0 HG21 VAL A 22 4.737 -1.479 4.507 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.598 -0.451 5.679 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.467 -1.700 6.252 1.00 15.00 H new ATOM 331 N THR A 23 2.586 -0.924 8.278 1.00 15.00 N ATOM 332 CA THR A 23 2.668 -1.909 9.348 1.00 15.00 C ATOM 333 C THR A 23 1.697 -3.066 9.094 1.00 15.00 C ATOM 334 O THR A 23 0.950 -3.060 8.111 1.00 15.00 O ATOM 335 CB THR A 23 2.377 -1.247 10.695 1.00 15.00 C ATOM 336 OG1 THR A 23 2.618 -2.147 11.766 1.00 15.00 O ATOM 337 CG2 THR A 23 0.956 -0.748 10.817 1.00 15.00 C ATOM 0 H THR A 23 1.665 -0.853 7.844 1.00 15.00 H new ATOM 0 HA THR A 23 3.679 -2.315 9.370 1.00 15.00 H new ATOM 0 HB THR A 23 3.051 -0.392 10.748 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.427 -1.701 12.617 1.00 15.00 H new ATOM 0 HG21 THR A 23 0.814 -0.289 11.795 1.00 15.00 H new ATOM 0 HG22 THR A 23 0.761 -0.010 10.039 1.00 15.00 H new ATOM 0 HG23 THR A 23 0.266 -1.584 10.705 1.00 15.00 H new ATOM 345 N GLY A 24 1.716 -4.060 9.981 1.00 15.00 N ATOM 346 CA GLY A 24 0.836 -5.209 9.829 1.00 15.00 C ATOM 347 C GLY A 24 1.405 -6.242 8.878 1.00 15.00 C ATOM 348 O GLY A 24 2.450 -6.831 9.148 1.00 15.00 O ATOM 0 H GLY A 24 2.323 -4.090 10.800 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.668 -5.668 10.803 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.135 -4.875 9.462 1.00 15.00 H new ATOM 352 N GLY A 25 0.724 -6.446 7.753 1.00 15.00 N ATOM 353 CA GLY A 25 1.190 -7.397 6.758 1.00 15.00 C ATOM 354 C GLY A 25 1.219 -8.833 7.250 1.00 15.00 C ATOM 355 O GLY A 25 0.492 -9.681 6.735 1.00 15.00 O ATOM 0 H GLY A 25 -0.144 -5.968 7.512 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.546 -7.336 5.881 1.00 15.00 H new ATOM 0 HA3 GLY A 25 2.192 -7.112 6.438 1.00 15.00 H new ATOM 359 N VAL A 26 2.078 -9.105 8.232 1.00 15.00 N ATOM 360 CA VAL A 26 2.232 -10.451 8.797 1.00 15.00 C ATOM 361 C VAL A 26 0.933 -11.252 8.744 1.00 15.00 C ATOM 362 O VAL A 26 -0.155 -10.705 8.926 1.00 15.00 O ATOM 363 CB VAL A 26 2.725 -10.398 10.258 1.00 15.00 C ATOM 364 CG1 VAL A 26 4.235 -10.568 10.319 1.00 15.00 C ATOM 365 CG2 VAL A 26 2.303 -9.096 10.921 1.00 15.00 C ATOM 0 H VAL A 26 2.685 -8.405 8.658 1.00 15.00 H new ATOM 0 HA VAL A 26 2.978 -10.951 8.179 1.00 15.00 H new ATOM 0 HB VAL A 26 2.266 -11.222 10.804 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.564 -10.528 11.357 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.510 -11.531 9.888 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.714 -9.768 9.755 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.661 -9.079 11.950 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.730 -8.255 10.375 1.00 15.00 H new ATOM 0 HG23 VAL A 26 1.216 -9.020 10.914 1.00 15.00 H new ATOM 375 N ASN A 27 1.060 -12.550 8.488 1.00 15.00 N ATOM 376 CA ASN A 27 -0.097 -13.432 8.402 1.00 15.00 C ATOM 377 C ASN A 27 -0.650 -13.746 9.790 1.00 15.00 C ATOM 378 O ASN A 27 -0.665 -14.901 10.218 1.00 15.00 O ATOM 379 CB ASN A 27 0.284 -14.731 7.689 1.00 15.00 C ATOM 380 CG ASN A 27 1.404 -15.470 8.396 1.00 15.00 C ATOM 381 OD1 ASN A 27 2.524 -14.971 8.501 1.00 15.00 O ATOM 382 ND2 ASN A 27 1.105 -16.668 8.885 1.00 15.00 N ATOM 0 H ASN A 27 1.955 -13.015 8.336 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.872 -12.921 7.831 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -0.591 -15.378 7.625 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.589 -14.506 6.667 1.00 15.00 H new ATOM 0 HD21 ASN A 27 1.817 -17.213 9.371 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.163 -17.043 8.775 1.00 15.00 H new ATOM 389 N THR A 28 -1.104 -12.712 10.491 1.00 15.00 N ATOM 390 CA THR A 28 -1.656 -12.882 11.830 1.00 15.00 C ATOM 391 C THR A 28 -2.688 -11.803 12.139 1.00 15.00 C ATOM 392 O THR A 28 -3.877 -12.089 12.280 1.00 15.00 O ATOM 393 CB THR A 28 -0.537 -12.847 12.872 1.00 15.00 C ATOM 394 OG1 THR A 28 0.465 -13.799 12.565 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.021 -13.127 14.279 1.00 15.00 C ATOM 0 H THR A 28 -1.101 -11.749 10.155 1.00 15.00 H new ATOM 0 HA THR A 28 -2.152 -13.852 11.869 1.00 15.00 H new ATOM 0 HB THR A 28 -0.141 -11.832 12.836 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.172 -13.760 13.242 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.178 -13.087 14.969 1.00 15.00 H new ATOM 0 HG22 THR A 28 -1.760 -12.378 14.565 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.474 -14.117 14.317 1.00 15.00 H new ATOM 403 N SER A 29 -2.224 -10.563 12.246 1.00 15.00 N ATOM 404 CA SER A 29 -3.105 -9.440 12.543 1.00 15.00 C ATOM 405 C SER A 29 -4.036 -9.148 11.370 1.00 15.00 C ATOM 406 O SER A 29 -5.172 -8.714 11.560 1.00 15.00 O ATOM 407 CB SER A 29 -2.282 -8.195 12.878 1.00 15.00 C ATOM 408 OG SER A 29 -2.955 -7.374 13.817 1.00 15.00 O ATOM 0 H SER A 29 -1.243 -10.310 12.131 1.00 15.00 H new ATOM 0 HA SER A 29 -3.714 -9.709 13.406 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.314 -8.493 13.280 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.089 -7.628 11.968 1.00 15.00 H new ATOM 0 HG SER A 29 -2.407 -6.586 14.015 1.00 15.00 H new ATOM 414 N VAL A 30 -3.547 -9.388 10.158 1.00 15.00 N ATOM 415 CA VAL A 30 -4.336 -9.148 8.955 1.00 15.00 C ATOM 416 C VAL A 30 -5.171 -10.372 8.587 1.00 15.00 C ATOM 417 O VAL A 30 -5.231 -11.344 9.340 1.00 15.00 O ATOM 418 CB VAL A 30 -3.436 -8.768 7.762 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.583 -7.557 8.105 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.563 -9.943 7.348 1.00 15.00 C ATOM 0 H VAL A 30 -2.609 -9.748 9.983 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.004 -8.315 9.175 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.076 -8.510 6.918 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -1.954 -7.302 7.252 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.229 -6.713 8.344 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -1.954 -7.787 8.965 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.937 -9.652 6.505 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -1.930 -10.239 8.185 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.196 -10.782 7.057 1.00 15.00 H new ATOM 430 N ARG A 31 -5.815 -10.314 7.425 1.00 15.00 N ATOM 431 CA ARG A 31 -6.647 -11.416 6.956 1.00 15.00 C ATOM 432 C ARG A 31 -5.819 -12.681 6.758 1.00 15.00 C ATOM 433 O ARG A 31 -6.040 -13.690 7.427 1.00 15.00 O ATOM 434 CB ARG A 31 -7.338 -11.036 5.645 1.00 15.00 C ATOM 435 CG ARG A 31 -8.586 -10.190 5.837 1.00 15.00 C ATOM 436 CD ARG A 31 -9.809 -11.051 6.114 1.00 15.00 C ATOM 437 NE ARG A 31 -10.842 -10.878 5.096 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.830 -11.745 4.889 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.921 -12.845 5.625 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.729 -11.511 3.942 1.00 15.00 N ATOM 0 H ARG A 31 -5.776 -9.516 6.791 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.403 -11.615 7.716 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -6.633 -10.491 5.017 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.605 -11.946 5.108 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -8.433 -9.497 6.665 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -8.759 -9.588 4.945 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.513 -12.099 6.155 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -10.218 -10.797 7.092 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.804 -10.044 4.510 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.232 -13.029 6.354 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.680 -13.506 5.462 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.663 -10.667 3.373 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.487 -12.175 3.783 1.00 15.00 H new ATOM 454 N HIS A 32 -4.865 -12.622 5.833 1.00 15.00 N ATOM 455 CA HIS A 32 -4.007 -13.767 5.547 1.00 15.00 C ATOM 456 C HIS A 32 -2.549 -13.339 5.404 1.00 15.00 C ATOM 457 O HIS A 32 -1.659 -13.928 6.013 1.00 15.00 O ATOM 458 CB HIS A 32 -4.471 -14.471 4.270 1.00 15.00 C ATOM 459 CG HIS A 32 -5.877 -14.980 4.344 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.291 -15.915 5.270 1.00 15.00 N ATOM 461 CD2 HIS A 32 -6.969 -14.679 3.603 1.00 15.00 C ATOM 462 CE1 HIS A 32 -7.575 -16.168 5.093 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.010 -15.430 4.089 1.00 15.00 N ATOM 0 H HIS A 32 -4.667 -11.795 5.270 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.080 -14.460 6.385 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.388 -13.778 3.432 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -3.802 -15.306 4.061 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -7.013 -13.978 2.782 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -8.168 -16.861 5.671 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -8.965 -15.419 3.732 1.00 15.00 H new ATOM 472 N GLY A 33 -2.313 -12.314 4.592 1.00 15.00 N ATOM 473 CA GLY A 33 -0.959 -11.829 4.380 1.00 15.00 C ATOM 474 C GLY A 33 -0.921 -10.531 3.597 1.00 15.00 C ATOM 475 O GLY A 33 0.074 -10.222 2.942 1.00 15.00 O ATOM 0 H GLY A 33 -3.034 -11.810 4.076 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.475 -11.681 5.345 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.384 -12.587 3.848 1.00 15.00 H new ATOM 479 N GLY A 34 -2.000 -9.758 3.678 1.00 15.00 N ATOM 480 CA GLY A 34 -2.050 -8.486 2.986 1.00 15.00 C ATOM 481 C GLY A 34 -1.514 -7.379 3.862 1.00 15.00 C ATOM 482 O GLY A 34 -1.541 -7.497 5.087 1.00 15.00 O ATOM 0 H GLY A 34 -2.839 -9.991 4.210 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.467 -8.543 2.067 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.077 -8.263 2.698 1.00 15.00 H new ATOM 486 N ILE A 35 -1.011 -6.308 3.262 1.00 15.00 N ATOM 487 CA ILE A 35 -0.466 -5.218 4.059 1.00 15.00 C ATOM 488 C ILE A 35 -1.503 -4.138 4.324 1.00 15.00 C ATOM 489 O ILE A 35 -2.446 -3.951 3.556 1.00 15.00 O ATOM 490 CB ILE A 35 0.798 -4.600 3.414 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.966 -4.657 4.411 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.543 -3.172 2.937 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.828 -3.411 4.442 1.00 15.00 C ATOM 0 H ILE A 35 -0.969 -6.172 2.252 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.176 -5.655 5.015 1.00 15.00 H new ATOM 0 HB ILE A 35 1.060 -5.184 2.532 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.566 -4.832 5.410 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.595 -5.513 4.165 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.452 -2.770 2.490 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.256 -3.173 2.196 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.251 -2.552 3.785 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.627 -3.539 5.173 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.262 -3.244 3.456 1.00 15.00 H new ATOM 0 HD13 ILE A 35 2.217 -2.552 4.720 1.00 15.00 H new ATOM 505 N TYR A 36 -1.303 -3.430 5.423 1.00 15.00 N ATOM 506 CA TYR A 36 -2.194 -2.353 5.825 1.00 15.00 C ATOM 507 C TYR A 36 -1.383 -1.177 6.337 1.00 15.00 C ATOM 508 O TYR A 36 -0.822 -1.227 7.432 1.00 15.00 O ATOM 509 CB TYR A 36 -3.161 -2.836 6.905 1.00 15.00 C ATOM 510 CG TYR A 36 -4.136 -3.878 6.412 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.727 -5.184 6.174 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.466 -3.554 6.180 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.615 -6.137 5.719 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.361 -4.502 5.726 1.00 15.00 C ATOM 515 CZ TYR A 36 -5.931 -5.792 5.496 1.00 15.00 C ATOM 516 OH TYR A 36 -6.820 -6.740 5.044 1.00 15.00 O ATOM 0 H TYR A 36 -0.522 -3.584 6.060 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.774 -2.035 4.959 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.589 -3.248 7.737 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.717 -1.983 7.293 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.697 -5.458 6.348 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.806 -2.544 6.358 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.281 -7.148 5.538 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.393 -4.235 5.552 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.622 -6.731 5.607 1.00 15.00 H new ATOM 526 N VAL A 37 -1.309 -0.125 5.535 1.00 15.00 N ATOM 527 CA VAL A 37 -0.542 1.054 5.917 1.00 15.00 C ATOM 528 C VAL A 37 -1.003 1.592 7.267 1.00 15.00 C ATOM 529 O VAL A 37 -2.186 1.550 7.592 1.00 15.00 O ATOM 530 CB VAL A 37 -0.608 2.186 4.847 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.892 1.638 3.462 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.628 3.256 5.190 1.00 15.00 C ATOM 0 H VAL A 37 -1.765 -0.062 4.625 1.00 15.00 H new ATOM 0 HA VAL A 37 0.497 0.732 5.992 1.00 15.00 H new ATOM 0 HB VAL A 37 0.379 2.648 4.848 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.930 2.459 2.746 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.102 0.944 3.176 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.849 1.116 3.466 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.631 4.019 4.411 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.618 2.806 5.261 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.368 3.714 6.145 1.00 15.00 H new ATOM 542 N LYS A 38 -0.068 2.118 8.042 1.00 15.00 N ATOM 543 CA LYS A 38 -0.404 2.688 9.334 1.00 15.00 C ATOM 544 C LYS A 38 -0.959 4.087 9.119 1.00 15.00 C ATOM 545 O LYS A 38 -2.008 4.442 9.655 1.00 15.00 O ATOM 546 CB LYS A 38 0.819 2.722 10.255 1.00 15.00 C ATOM 547 CG LYS A 38 0.569 3.433 11.577 1.00 15.00 C ATOM 548 CD LYS A 38 0.824 2.515 12.762 1.00 15.00 C ATOM 549 CE LYS A 38 2.235 1.948 12.736 1.00 15.00 C ATOM 550 NZ LYS A 38 3.074 2.493 13.839 1.00 15.00 N ATOM 0 H LYS A 38 0.922 2.162 7.800 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.156 2.066 9.820 1.00 15.00 H new ATOM 0 HB2 LYS A 38 1.139 1.700 10.457 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.640 3.217 9.736 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.215 4.308 11.648 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -0.460 3.792 11.609 1.00 15.00 H new ATOM 0 HD2 LYS A 38 0.669 3.066 13.690 1.00 15.00 H new ATOM 0 HD3 LYS A 38 0.102 1.698 12.752 1.00 15.00 H new ATOM 0 HE2 LYS A 38 2.191 0.862 12.816 1.00 15.00 H new ATOM 0 HE3 LYS A 38 2.701 2.178 11.778 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 4.028 2.082 13.786 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 3.138 3.527 13.748 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.644 2.252 14.754 1.00 15.00 H new ATOM 564 N ALA A 39 -0.254 4.869 8.303 1.00 15.00 N ATOM 565 CA ALA A 39 -0.679 6.220 7.975 1.00 15.00 C ATOM 566 C ALA A 39 0.207 6.802 6.883 1.00 15.00 C ATOM 567 O ALA A 39 1.234 6.220 6.541 1.00 15.00 O ATOM 568 CB ALA A 39 -0.678 7.099 9.210 1.00 15.00 C ATOM 0 H ALA A 39 0.618 4.584 7.857 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.701 6.182 7.598 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.999 8.105 8.941 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.362 6.686 9.951 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.328 7.139 9.627 1.00 15.00 H new ATOM 574 N VAL A 40 -0.184 7.952 6.347 1.00 15.00 N ATOM 575 CA VAL A 40 0.598 8.602 5.296 1.00 15.00 C ATOM 576 C VAL A 40 1.497 9.676 5.895 1.00 15.00 C ATOM 577 O VAL A 40 1.019 10.688 6.406 1.00 15.00 O ATOM 578 CB VAL A 40 -0.292 9.227 4.199 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.341 8.328 2.975 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.694 9.494 4.718 1.00 15.00 C ATOM 0 H VAL A 40 -1.030 8.452 6.618 1.00 15.00 H new ATOM 0 HA VAL A 40 1.205 7.827 4.828 1.00 15.00 H new ATOM 0 HB VAL A 40 0.149 10.182 3.912 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.973 8.785 2.213 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.666 8.196 2.580 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.752 7.357 3.253 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.298 9.934 3.924 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.147 8.557 5.042 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.645 10.183 5.561 1.00 15.00 H new ATOM 590 N ILE A 41 2.802 9.426 5.855 1.00 15.00 N ATOM 591 CA ILE A 41 3.788 10.341 6.421 1.00 15.00 C ATOM 592 C ILE A 41 4.070 11.538 5.512 1.00 15.00 C ATOM 593 O ILE A 41 4.686 11.394 4.455 1.00 15.00 O ATOM 594 CB ILE A 41 5.103 9.587 6.756 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.900 8.597 7.918 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.223 10.557 7.095 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.498 8.032 8.033 1.00 15.00 C ATOM 0 H ILE A 41 3.204 8.589 5.432 1.00 15.00 H new ATOM 0 HA ILE A 41 3.360 10.737 7.342 1.00 15.00 H new ATOM 0 HB ILE A 41 5.386 9.025 5.866 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.601 7.771 7.800 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.153 9.098 8.852 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.131 9.999 7.325 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.406 11.213 6.244 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.936 11.156 7.960 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.451 7.346 8.878 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.789 8.846 8.186 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.245 7.498 7.117 1.00 15.00 H new ATOM 609 N PRO A 42 3.621 12.746 5.933 1.00 15.00 N ATOM 610 CA PRO A 42 3.818 13.988 5.172 1.00 15.00 C ATOM 611 C PRO A 42 5.288 14.341 5.004 1.00 15.00 C ATOM 612 O PRO A 42 5.776 15.324 5.562 1.00 15.00 O ATOM 613 CB PRO A 42 3.107 15.059 6.011 1.00 15.00 C ATOM 614 CG PRO A 42 2.211 14.307 6.932 1.00 15.00 C ATOM 615 CD PRO A 42 2.892 12.996 7.189 1.00 15.00 C ATOM 0 HA PRO A 42 3.426 13.898 4.159 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.824 15.663 6.567 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.538 15.740 5.378 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.057 14.856 7.861 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.229 14.156 6.484 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.567 13.053 8.043 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.174 12.204 7.403 1.00 15.00 H new ATOM 623 N GLN A 43 5.984 13.534 4.222 1.00 15.00 N ATOM 624 CA GLN A 43 7.397 13.749 3.961 1.00 15.00 C ATOM 625 C GLN A 43 7.769 13.151 2.616 1.00 15.00 C ATOM 626 O GLN A 43 8.335 13.824 1.755 1.00 15.00 O ATOM 627 CB GLN A 43 8.249 13.125 5.068 1.00 15.00 C ATOM 628 CG GLN A 43 8.559 14.080 6.209 1.00 15.00 C ATOM 629 CD GLN A 43 9.389 15.269 5.765 1.00 15.00 C ATOM 630 OE1 GLN A 43 9.681 15.429 4.580 1.00 15.00 O ATOM 631 NE2 GLN A 43 9.773 16.111 6.718 1.00 15.00 N ATOM 0 H GLN A 43 5.590 12.718 3.754 1.00 15.00 H new ATOM 0 HA GLN A 43 7.590 14.822 3.941 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.730 12.253 5.466 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.186 12.770 4.638 1.00 15.00 H new ATOM 0 HG2 GLN A 43 7.625 14.436 6.644 1.00 15.00 H new ATOM 0 HG3 GLN A 43 9.092 13.542 6.993 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.508 15.939 7.688 1.00 15.00 H new ATOM 0 HE22 GLN A 43 10.333 16.930 6.480 1.00 15.00 H new ATOM 640 N GLY A 44 7.433 11.880 2.440 1.00 15.00 N ATOM 641 CA GLY A 44 7.724 11.206 1.194 1.00 15.00 C ATOM 642 C GLY A 44 6.620 11.380 0.169 1.00 15.00 C ATOM 643 O GLY A 44 5.458 11.627 0.521 1.00 15.00 O ATOM 0 H GLY A 44 6.964 11.305 3.140 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.658 11.591 0.786 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.874 10.143 1.386 1.00 15.00 H new ATOM 647 N ALA A 45 6.996 11.245 -1.102 1.00 15.00 N ATOM 648 CA ALA A 45 6.076 11.387 -2.232 1.00 15.00 C ATOM 649 C ALA A 45 4.710 10.741 -1.992 1.00 15.00 C ATOM 650 O ALA A 45 3.753 11.036 -2.707 1.00 15.00 O ATOM 651 CB ALA A 45 6.709 10.807 -3.488 1.00 15.00 C ATOM 0 H ALA A 45 7.954 11.032 -1.380 1.00 15.00 H new ATOM 0 HA ALA A 45 5.896 12.455 -2.354 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.020 10.915 -4.326 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.634 11.339 -3.708 1.00 15.00 H new ATOM 0 HB3 ALA A 45 6.926 9.750 -3.331 1.00 15.00 H new ATOM 657 N ALA A 46 4.610 9.863 -1.001 1.00 15.00 N ATOM 658 CA ALA A 46 3.346 9.203 -0.715 1.00 15.00 C ATOM 659 C ALA A 46 2.347 10.173 -0.093 1.00 15.00 C ATOM 660 O ALA A 46 1.380 10.572 -0.745 1.00 15.00 O ATOM 661 CB ALA A 46 3.563 8.012 0.204 1.00 15.00 C ATOM 0 H ALA A 46 5.381 9.595 -0.389 1.00 15.00 H new ATOM 0 HA ALA A 46 2.933 8.848 -1.659 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.607 7.530 0.407 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.233 7.299 -0.276 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.005 8.351 1.141 1.00 15.00 H new ATOM 667 N GLU A 47 2.579 10.557 1.163 1.00 15.00 N ATOM 668 CA GLU A 47 1.679 11.493 1.838 1.00 15.00 C ATOM 669 C GLU A 47 1.589 12.800 1.058 1.00 15.00 C ATOM 670 O GLU A 47 0.516 13.388 0.927 1.00 15.00 O ATOM 671 CB GLU A 47 2.094 11.741 3.298 1.00 15.00 C ATOM 672 CG GLU A 47 1.251 12.800 3.997 1.00 15.00 C ATOM 673 CD GLU A 47 -0.240 12.533 3.899 1.00 15.00 C ATOM 674 OE1 GLU A 47 -0.750 12.416 2.765 1.00 15.00 O ATOM 675 OE2 GLU A 47 -0.897 12.443 4.957 1.00 15.00 O ATOM 0 H GLU A 47 3.369 10.241 1.726 1.00 15.00 H new ATOM 0 HA GLU A 47 0.689 11.039 1.866 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.021 10.805 3.852 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.140 12.046 3.323 1.00 15.00 H new ATOM 0 HG2 GLU A 47 1.537 12.849 5.048 1.00 15.00 H new ATOM 0 HG3 GLU A 47 1.469 13.775 3.562 1.00 15.00 H new ATOM 682 N SER A 48 2.728 13.243 0.533 1.00 15.00 N ATOM 683 CA SER A 48 2.783 14.476 -0.246 1.00 15.00 C ATOM 684 C SER A 48 1.766 14.434 -1.382 1.00 15.00 C ATOM 685 O SER A 48 0.814 15.215 -1.406 1.00 15.00 O ATOM 686 CB SER A 48 4.190 14.686 -0.810 1.00 15.00 C ATOM 687 OG SER A 48 4.973 15.486 0.058 1.00 15.00 O ATOM 0 H SER A 48 3.625 12.767 0.633 1.00 15.00 H new ATOM 0 HA SER A 48 2.539 15.310 0.412 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.675 13.721 -0.956 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.126 15.161 -1.789 1.00 15.00 H new ATOM 0 HG SER A 48 5.868 15.604 -0.324 1.00 15.00 H new ATOM 693 N ASP A 49 1.967 13.508 -2.315 1.00 15.00 N ATOM 694 CA ASP A 49 1.057 13.356 -3.443 1.00 15.00 C ATOM 695 C ASP A 49 -0.317 12.918 -2.954 1.00 15.00 C ATOM 696 O ASP A 49 -1.345 13.353 -3.474 1.00 15.00 O ATOM 697 CB ASP A 49 1.609 12.337 -4.439 1.00 15.00 C ATOM 698 CG ASP A 49 2.781 12.882 -5.231 1.00 15.00 C ATOM 699 OD1 ASP A 49 3.551 13.691 -4.671 1.00 15.00 O ATOM 700 OD2 ASP A 49 2.929 12.501 -6.412 1.00 15.00 O ATOM 0 H ASP A 49 2.750 12.854 -2.312 1.00 15.00 H new ATOM 0 HA ASP A 49 0.963 14.319 -3.945 1.00 15.00 H new ATOM 0 HB2 ASP A 49 1.921 11.441 -3.903 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.817 12.038 -5.126 1.00 15.00 H new ATOM 705 N GLY A 50 -0.322 12.057 -1.941 1.00 15.00 N ATOM 706 CA GLY A 50 -1.567 11.571 -1.379 1.00 15.00 C ATOM 707 C GLY A 50 -2.164 10.434 -2.184 1.00 15.00 C ATOM 708 O GLY A 50 -3.382 10.352 -2.343 1.00 15.00 O ATOM 0 H GLY A 50 0.519 11.686 -1.498 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.394 11.236 -0.356 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.283 12.391 -1.328 1.00 15.00 H new ATOM 712 N ARG A 51 -1.309 9.551 -2.690 1.00 15.00 N ATOM 713 CA ARG A 51 -1.772 8.413 -3.480 1.00 15.00 C ATOM 714 C ARG A 51 -2.226 7.277 -2.570 1.00 15.00 C ATOM 715 O ARG A 51 -3.353 6.792 -2.676 1.00 15.00 O ATOM 716 CB ARG A 51 -0.667 7.919 -4.416 1.00 15.00 C ATOM 717 CG ARG A 51 -0.696 8.572 -5.788 1.00 15.00 C ATOM 718 CD ARG A 51 -1.932 8.166 -6.574 1.00 15.00 C ATOM 719 NE ARG A 51 -2.605 9.319 -7.168 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.807 9.264 -7.735 1.00 15.00 C ATOM 721 NH1 ARG A 51 -4.471 8.116 -7.788 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.347 10.359 -8.251 1.00 15.00 N ATOM 0 H ARG A 51 -0.297 9.600 -2.569 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.619 8.743 -4.081 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.302 8.108 -3.953 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.758 6.839 -4.535 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.675 9.656 -5.676 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.198 8.291 -6.344 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.648 7.467 -7.361 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.624 7.641 -5.916 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.125 10.219 -7.147 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -4.060 7.270 -7.393 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -5.392 8.079 -8.224 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -3.841 11.244 -8.213 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -5.269 10.317 -8.686 1.00 15.00 H new ATOM 736 N ILE A 52 -1.340 6.865 -1.672 1.00 15.00 N ATOM 737 CA ILE A 52 -1.634 5.796 -0.734 1.00 15.00 C ATOM 738 C ILE A 52 -2.443 6.333 0.450 1.00 15.00 C ATOM 739 O ILE A 52 -2.455 7.539 0.698 1.00 15.00 O ATOM 740 CB ILE A 52 -0.328 5.151 -0.238 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.628 3.905 0.586 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.493 6.150 0.561 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.391 2.858 -0.183 1.00 15.00 C ATOM 0 H ILE A 52 -0.405 7.261 -1.576 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.228 5.038 -1.245 1.00 15.00 H new ATOM 0 HB ILE A 52 0.261 4.850 -1.105 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.310 3.476 0.940 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.202 4.189 1.468 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.412 5.675 0.903 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.739 7.005 -0.069 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.083 6.488 1.423 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.573 1.996 0.459 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.343 3.272 -0.514 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.809 2.548 -1.051 1.00 15.00 H new ATOM 755 N HIS A 53 -3.136 5.448 1.167 1.00 15.00 N ATOM 756 CA HIS A 53 -3.957 5.873 2.301 1.00 15.00 C ATOM 757 C HIS A 53 -3.884 4.910 3.471 1.00 15.00 C ATOM 758 O HIS A 53 -3.503 3.751 3.331 1.00 15.00 O ATOM 759 CB HIS A 53 -5.411 6.056 1.865 1.00 15.00 C ATOM 760 CG HIS A 53 -5.575 6.978 0.697 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.725 6.532 -0.599 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.614 8.331 0.634 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.847 7.570 -1.409 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.784 8.672 -0.685 1.00 15.00 N ATOM 0 H HIS A 53 -3.146 4.444 0.986 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.553 6.826 2.643 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.830 5.083 1.611 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.988 6.442 2.706 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.527 9.014 1.466 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.976 7.524 -2.480 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.851 9.623 -1.047 1.00 15.00 H new ATOM 773 N LYS A 54 -4.241 5.442 4.632 1.00 15.00 N ATOM 774 CA LYS A 54 -4.221 4.709 5.888 1.00 15.00 C ATOM 775 C LYS A 54 -4.804 3.296 5.768 1.00 15.00 C ATOM 776 O LYS A 54 -5.869 3.097 5.184 1.00 15.00 O ATOM 777 CB LYS A 54 -4.994 5.494 6.952 1.00 15.00 C ATOM 778 CG LYS A 54 -4.121 6.020 8.077 1.00 15.00 C ATOM 779 CD LYS A 54 -4.910 6.175 9.367 1.00 15.00 C ATOM 780 CE LYS A 54 -4.947 4.876 10.156 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.244 4.694 10.865 1.00 15.00 N ATOM 0 H LYS A 54 -4.556 6.407 4.728 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.175 4.599 6.176 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.501 6.333 6.475 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.767 4.852 7.374 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.285 5.339 8.240 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.697 6.982 7.791 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.462 6.960 9.977 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.927 6.491 9.137 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -4.781 4.036 9.481 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.133 4.868 10.881 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.229 3.797 11.391 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -6.391 5.482 11.528 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -7.019 4.676 10.172 1.00 15.00 H new ATOM 795 N GLY A 55 -4.097 2.325 6.350 1.00 15.00 N ATOM 796 CA GLY A 55 -4.546 0.940 6.333 1.00 15.00 C ATOM 797 C GLY A 55 -4.932 0.445 4.957 1.00 15.00 C ATOM 798 O GLY A 55 -5.807 -0.411 4.827 1.00 15.00 O ATOM 0 H GLY A 55 -3.214 2.476 6.837 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.753 0.305 6.729 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.401 0.836 7.000 1.00 15.00 H new ATOM 802 N ASP A 56 -4.280 0.964 3.925 1.00 15.00 N ATOM 803 CA ASP A 56 -4.581 0.536 2.566 1.00 15.00 C ATOM 804 C ASP A 56 -4.197 -0.926 2.365 1.00 15.00 C ATOM 805 O ASP A 56 -3.081 -1.332 2.693 1.00 15.00 O ATOM 806 CB ASP A 56 -3.861 1.414 1.544 1.00 15.00 C ATOM 807 CG ASP A 56 -4.828 2.261 0.741 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.917 1.753 0.401 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.499 3.430 0.452 1.00 15.00 O ATOM 0 H ASP A 56 -3.550 1.672 4.000 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.655 0.640 2.413 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.152 2.063 2.059 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.283 0.784 0.868 1.00 15.00 H new ATOM 814 N ARG A 57 -5.127 -1.708 1.822 1.00 15.00 N ATOM 815 CA ARG A 57 -4.884 -3.122 1.568 1.00 15.00 C ATOM 816 C ARG A 57 -4.126 -3.304 0.259 1.00 15.00 C ATOM 817 O ARG A 57 -4.731 -3.465 -0.801 1.00 15.00 O ATOM 818 CB ARG A 57 -6.209 -3.887 1.509 1.00 15.00 C ATOM 819 CG ARG A 57 -6.842 -4.116 2.869 1.00 15.00 C ATOM 820 CD ARG A 57 -8.360 -4.115 2.787 1.00 15.00 C ATOM 821 NE ARG A 57 -8.949 -5.231 3.524 1.00 15.00 N ATOM 822 CZ ARG A 57 -10.255 -5.480 3.570 1.00 15.00 C ATOM 823 NH1 ARG A 57 -11.109 -4.694 2.926 1.00 15.00 N ATOM 824 NH2 ARG A 57 -10.708 -6.517 4.260 1.00 15.00 N ATOM 0 H ARG A 57 -6.055 -1.384 1.550 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.281 -3.519 2.384 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.909 -3.336 0.880 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.041 -4.851 1.029 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.500 -5.068 3.275 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -6.514 -3.339 3.559 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.744 -3.175 3.184 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.667 -4.168 1.742 1.00 15.00 H new ATOM 0 HE ARG A 57 -8.323 -5.855 4.032 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -10.765 -3.895 2.393 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -12.110 -4.889 2.964 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -10.055 -7.124 4.756 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -11.709 -6.708 4.295 1.00 15.00 H new ATOM 838 N VAL A 58 -2.800 -3.269 0.333 1.00 15.00 N ATOM 839 CA VAL A 58 -1.972 -3.422 -0.856 1.00 15.00 C ATOM 840 C VAL A 58 -1.849 -4.892 -1.254 1.00 15.00 C ATOM 841 O VAL A 58 -1.249 -5.701 -0.538 1.00 15.00 O ATOM 842 CB VAL A 58 -0.572 -2.788 -0.664 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.677 -1.493 0.129 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.395 -3.750 0.015 1.00 15.00 C ATOM 0 H VAL A 58 -2.278 -3.137 1.199 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.468 -2.888 -1.666 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.175 -2.565 -1.654 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.316 -1.062 0.254 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.314 -0.789 -0.407 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.109 -1.700 1.108 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.366 -3.268 0.132 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.006 -4.025 0.995 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.506 -4.646 -0.596 1.00 15.00 H new ATOM 854 N LEU A 59 -2.449 -5.231 -2.395 1.00 15.00 N ATOM 855 CA LEU A 59 -2.433 -6.603 -2.898 1.00 15.00 C ATOM 856 C LEU A 59 -1.514 -6.767 -4.111 1.00 15.00 C ATOM 857 O LEU A 59 -1.189 -7.889 -4.496 1.00 15.00 O ATOM 858 CB LEU A 59 -3.850 -7.047 -3.264 1.00 15.00 C ATOM 859 CG LEU A 59 -4.742 -7.411 -2.076 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.125 -8.546 -1.273 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.975 -6.195 -1.193 1.00 15.00 C ATOM 0 H LEU A 59 -2.953 -4.572 -2.989 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.041 -7.232 -2.099 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.331 -6.248 -3.828 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.784 -7.910 -3.927 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.706 -7.747 -2.459 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -4.774 -8.791 -0.432 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -4.011 -9.423 -1.911 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.148 -8.239 -0.900 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.612 -6.472 -0.353 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.019 -5.829 -0.819 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.462 -5.411 -1.774 1.00 15.00 H new ATOM 873 N ALA A 60 -1.116 -5.657 -4.729 1.00 15.00 N ATOM 874 CA ALA A 60 -0.259 -5.715 -5.912 1.00 15.00 C ATOM 875 C ALA A 60 0.681 -4.516 -6.003 1.00 15.00 C ATOM 876 O ALA A 60 0.324 -3.399 -5.631 1.00 15.00 O ATOM 877 CB ALA A 60 -1.116 -5.803 -7.166 1.00 15.00 C ATOM 0 H ALA A 60 -1.370 -4.714 -4.434 1.00 15.00 H new ATOM 0 HA ALA A 60 0.361 -6.607 -5.825 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.472 -5.846 -8.044 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.732 -6.701 -7.123 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.759 -4.925 -7.230 1.00 15.00 H new ATOM 883 N VAL A 61 1.880 -4.763 -6.525 1.00 15.00 N ATOM 884 CA VAL A 61 2.886 -3.721 -6.703 1.00 15.00 C ATOM 885 C VAL A 61 3.576 -3.910 -8.044 1.00 15.00 C ATOM 886 O VAL A 61 4.400 -4.810 -8.206 1.00 15.00 O ATOM 887 CB VAL A 61 3.948 -3.738 -5.585 1.00 15.00 C ATOM 888 CG1 VAL A 61 4.930 -2.590 -5.765 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.290 -3.681 -4.214 1.00 15.00 C ATOM 0 H VAL A 61 2.180 -5.687 -6.835 1.00 15.00 H new ATOM 0 HA VAL A 61 2.373 -2.760 -6.663 1.00 15.00 H new ATOM 0 HB VAL A 61 4.502 -4.674 -5.652 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.672 -2.618 -4.967 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.430 -2.686 -6.729 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.393 -1.642 -5.728 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.058 -3.694 -3.441 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.705 -2.765 -4.129 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.635 -4.543 -4.089 1.00 15.00 H new ATOM 899 N ASN A 62 3.210 -3.083 -9.015 1.00 15.00 N ATOM 900 CA ASN A 62 3.772 -3.195 -10.352 1.00 15.00 C ATOM 901 C ASN A 62 3.351 -4.524 -10.979 1.00 15.00 C ATOM 902 O ASN A 62 3.934 -4.973 -11.966 1.00 15.00 O ATOM 903 CB ASN A 62 5.299 -3.087 -10.309 1.00 15.00 C ATOM 904 CG ASN A 62 5.785 -1.669 -10.535 1.00 15.00 C ATOM 905 OD1 ASN A 62 6.572 -1.408 -11.445 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.317 -0.742 -9.706 1.00 15.00 N ATOM 0 H ASN A 62 2.530 -2.331 -8.902 1.00 15.00 H new ATOM 0 HA ASN A 62 3.391 -2.376 -10.962 1.00 15.00 H new ATOM 0 HB2 ASN A 62 5.658 -3.442 -9.343 1.00 15.00 H new ATOM 0 HB3 ASN A 62 5.728 -3.741 -11.068 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.609 0.230 -9.811 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.666 -1.002 -8.965 1.00 15.00 H new ATOM 913 N GLY A 63 2.326 -5.145 -10.389 1.00 15.00 N ATOM 914 CA GLY A 63 1.827 -6.413 -10.885 1.00 15.00 C ATOM 915 C GLY A 63 2.254 -7.595 -10.034 1.00 15.00 C ATOM 916 O GLY A 63 1.990 -8.744 -10.387 1.00 15.00 O ATOM 0 H GLY A 63 1.833 -4.786 -9.572 1.00 15.00 H new ATOM 0 HA2 GLY A 63 0.738 -6.377 -10.926 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.180 -6.561 -11.906 1.00 15.00 H new ATOM 920 N VAL A 64 2.908 -7.320 -8.908 1.00 15.00 N ATOM 921 CA VAL A 64 3.354 -8.382 -8.015 1.00 15.00 C ATOM 922 C VAL A 64 2.320 -8.645 -6.921 1.00 15.00 C ATOM 923 O VAL A 64 2.138 -7.835 -6.013 1.00 15.00 O ATOM 924 CB VAL A 64 4.724 -8.055 -7.377 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.593 -7.011 -6.279 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.379 -9.319 -6.842 1.00 15.00 C ATOM 0 H VAL A 64 3.139 -6.377 -8.595 1.00 15.00 H new ATOM 0 HA VAL A 64 3.467 -9.282 -8.619 1.00 15.00 H new ATOM 0 HB VAL A 64 5.361 -7.636 -8.155 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.575 -6.806 -5.853 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.180 -6.093 -6.697 1.00 15.00 H new ATOM 0 HG13 VAL A 64 3.930 -7.385 -5.499 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.342 -9.069 -6.397 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.736 -9.770 -6.086 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.529 -10.025 -7.659 1.00 15.00 H new ATOM 936 N SER A 65 1.638 -9.780 -7.017 1.00 15.00 N ATOM 937 CA SER A 65 0.621 -10.139 -6.035 1.00 15.00 C ATOM 938 C SER A 65 1.220 -10.208 -4.637 1.00 15.00 C ATOM 939 O SER A 65 2.189 -10.926 -4.394 1.00 15.00 O ATOM 940 CB SER A 65 -0.024 -11.478 -6.397 1.00 15.00 C ATOM 941 OG SER A 65 -0.442 -11.493 -7.751 1.00 15.00 O ATOM 0 H SER A 65 1.769 -10.465 -7.761 1.00 15.00 H new ATOM 0 HA SER A 65 -0.147 -9.365 -6.045 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.686 -12.286 -6.223 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.880 -11.661 -5.747 1.00 15.00 H new ATOM 0 HG SER A 65 -0.849 -12.360 -7.958 1.00 15.00 H new ATOM 947 N LEU A 66 0.633 -9.445 -3.727 1.00 15.00 N ATOM 948 CA LEU A 66 1.094 -9.396 -2.349 1.00 15.00 C ATOM 949 C LEU A 66 0.408 -10.462 -1.499 1.00 15.00 C ATOM 950 O LEU A 66 0.891 -10.813 -0.422 1.00 15.00 O ATOM 951 CB LEU A 66 0.828 -8.008 -1.770 1.00 15.00 C ATOM 952 CG LEU A 66 1.994 -7.024 -1.895 1.00 15.00 C ATOM 953 CD1 LEU A 66 1.563 -5.774 -2.648 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.537 -6.660 -0.522 1.00 15.00 C ATOM 0 H LEU A 66 -0.170 -8.847 -3.921 1.00 15.00 H new ATOM 0 HA LEU A 66 2.165 -9.597 -2.336 1.00 15.00 H new ATOM 0 HB2 LEU A 66 -0.043 -7.583 -2.269 1.00 15.00 H new ATOM 0 HB3 LEU A 66 0.571 -8.113 -0.716 1.00 15.00 H new ATOM 0 HG LEU A 66 2.790 -7.508 -2.461 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.406 -5.087 -2.726 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.226 -6.049 -3.647 1.00 15.00 H new ATOM 0 HD13 LEU A 66 0.748 -5.288 -2.111 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.365 -5.960 -0.632 1.00 15.00 H new ATOM 0 HD22 LEU A 66 1.747 -6.198 0.071 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.888 -7.561 -0.019 1.00 15.00 H new ATOM 966 N GLU A 67 -0.720 -10.977 -1.988 1.00 15.00 N ATOM 967 CA GLU A 67 -1.468 -12.006 -1.270 1.00 15.00 C ATOM 968 C GLU A 67 -0.538 -13.108 -0.768 1.00 15.00 C ATOM 969 O GLU A 67 -0.117 -13.975 -1.533 1.00 15.00 O ATOM 970 CB GLU A 67 -2.546 -12.605 -2.176 1.00 15.00 C ATOM 971 CG GLU A 67 -3.505 -13.534 -1.449 1.00 15.00 C ATOM 972 CD GLU A 67 -4.925 -13.429 -1.969 1.00 15.00 C ATOM 973 OE1 GLU A 67 -5.234 -14.084 -2.987 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.728 -12.691 -1.360 1.00 15.00 O ATOM 0 H GLU A 67 -1.135 -10.698 -2.877 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.944 -11.539 -0.408 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -3.115 -11.796 -2.634 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.065 -13.154 -2.985 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.159 -14.562 -1.554 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.494 -13.301 -0.384 1.00 15.00 H new ATOM 981 N GLY A 68 -0.220 -13.061 0.521 1.00 15.00 N ATOM 982 CA GLY A 68 0.662 -14.054 1.105 1.00 15.00 C ATOM 983 C GLY A 68 2.023 -13.482 1.451 1.00 15.00 C ATOM 984 O GLY A 68 3.032 -13.855 0.851 1.00 15.00 O ATOM 0 H GLY A 68 -0.558 -12.352 1.172 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.202 -14.461 2.005 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.785 -14.883 0.408 1.00 15.00 H new ATOM 988 N ALA A 69 2.050 -12.570 2.418 1.00 15.00 N ATOM 989 CA ALA A 69 3.293 -11.940 2.843 1.00 15.00 C ATOM 990 C ALA A 69 3.071 -11.066 4.074 1.00 15.00 C ATOM 991 O ALA A 69 1.937 -10.730 4.413 1.00 15.00 O ATOM 992 CB ALA A 69 3.878 -11.118 1.703 1.00 15.00 C ATOM 0 H ALA A 69 1.223 -12.251 2.922 1.00 15.00 H new ATOM 0 HA ALA A 69 4.001 -12.724 3.112 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.807 -10.651 2.030 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.079 -11.768 0.852 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.167 -10.345 1.410 1.00 15.00 H new ATOM 998 N THR A 70 4.160 -10.704 4.743 1.00 15.00 N ATOM 999 CA THR A 70 4.080 -9.872 5.939 1.00 15.00 C ATOM 1000 C THR A 70 4.236 -8.393 5.595 1.00 15.00 C ATOM 1001 O THR A 70 4.312 -8.019 4.425 1.00 15.00 O ATOM 1002 CB THR A 70 5.156 -10.287 6.945 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.435 -9.849 6.521 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.230 -11.783 7.158 1.00 15.00 C ATOM 0 H THR A 70 5.108 -10.973 4.478 1.00 15.00 H new ATOM 0 HA THR A 70 3.095 -10.018 6.383 1.00 15.00 H new ATOM 0 HB THR A 70 4.870 -9.816 7.885 1.00 15.00 H new ATOM 0 HG1 THR A 70 7.109 -10.122 7.178 1.00 15.00 H new ATOM 0 HG21 THR A 70 6.013 -12.009 7.882 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.273 -12.145 7.533 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.458 -12.274 6.212 1.00 15.00 H new ATOM 1012 N HIS A 71 4.288 -7.560 6.629 1.00 15.00 N ATOM 1013 CA HIS A 71 4.440 -6.120 6.458 1.00 15.00 C ATOM 1014 C HIS A 71 5.756 -5.820 5.761 1.00 15.00 C ATOM 1015 O HIS A 71 5.779 -5.277 4.656 1.00 15.00 O ATOM 1016 CB HIS A 71 4.352 -5.434 7.834 1.00 15.00 C ATOM 1017 CG HIS A 71 5.145 -4.169 8.001 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.441 -3.644 9.242 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.668 -3.305 7.098 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.103 -2.513 9.095 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.258 -2.286 7.805 1.00 15.00 N ATOM 0 H HIS A 71 4.227 -7.861 7.602 1.00 15.00 H new ATOM 0 HA HIS A 71 3.639 -5.728 5.831 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.305 -5.210 8.038 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.680 -6.145 8.592 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.628 -3.400 6.023 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.458 -1.880 9.895 1.00 15.00 H new ATOM 0 HE2 HIS A 71 6.738 -1.483 7.398 1.00 15.00 H new ATOM 1030 N LYS A 72 6.849 -6.195 6.405 1.00 15.00 N ATOM 1031 CA LYS A 72 8.175 -5.988 5.842 1.00 15.00 C ATOM 1032 C LYS A 72 8.244 -6.573 4.437 1.00 15.00 C ATOM 1033 O LYS A 72 8.894 -6.018 3.551 1.00 15.00 O ATOM 1034 CB LYS A 72 9.228 -6.635 6.738 1.00 15.00 C ATOM 1035 CG LYS A 72 10.650 -6.200 6.424 1.00 15.00 C ATOM 1036 CD LYS A 72 11.665 -6.978 7.246 1.00 15.00 C ATOM 1037 CE LYS A 72 11.997 -8.314 6.601 1.00 15.00 C ATOM 1038 NZ LYS A 72 13.431 -8.674 6.773 1.00 15.00 N ATOM 0 H LYS A 72 6.845 -6.645 7.320 1.00 15.00 H new ATOM 0 HA LYS A 72 8.373 -4.918 5.784 1.00 15.00 H new ATOM 0 HB2 LYS A 72 9.005 -6.394 7.777 1.00 15.00 H new ATOM 0 HB3 LYS A 72 9.159 -7.718 6.640 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.851 -6.347 5.363 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.758 -5.134 6.624 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.576 -6.389 7.354 1.00 15.00 H new ATOM 0 HD3 LYS A 72 11.272 -7.145 8.249 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.372 -9.093 7.038 1.00 15.00 H new ATOM 0 HE3 LYS A 72 11.758 -8.273 5.538 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 13.616 -9.591 6.319 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 14.027 -7.944 6.334 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.654 -8.739 7.787 1.00 15.00 H new ATOM 1052 N GLN A 73 7.550 -7.691 4.237 1.00 15.00 N ATOM 1053 CA GLN A 73 7.516 -8.339 2.934 1.00 15.00 C ATOM 1054 C GLN A 73 6.944 -7.378 1.904 1.00 15.00 C ATOM 1055 O GLN A 73 7.529 -7.166 0.842 1.00 15.00 O ATOM 1056 CB GLN A 73 6.677 -9.617 2.990 1.00 15.00 C ATOM 1057 CG GLN A 73 7.150 -10.695 2.029 1.00 15.00 C ATOM 1058 CD GLN A 73 6.974 -12.093 2.587 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.159 -12.318 3.483 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.739 -13.042 2.060 1.00 15.00 N ATOM 0 H GLN A 73 7.006 -8.163 4.959 1.00 15.00 H new ATOM 0 HA GLN A 73 8.532 -8.612 2.647 1.00 15.00 H new ATOM 0 HB2 GLN A 73 6.698 -10.012 4.006 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.639 -9.371 2.765 1.00 15.00 H new ATOM 0 HG2 GLN A 73 6.598 -10.609 1.093 1.00 15.00 H new ATOM 0 HG3 GLN A 73 8.202 -10.531 1.795 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.401 -12.811 1.319 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.665 -14.002 2.396 1.00 15.00 H new ATOM 1069 N ALA A 74 5.810 -6.771 2.242 1.00 15.00 N ATOM 1070 CA ALA A 74 5.181 -5.803 1.360 1.00 15.00 C ATOM 1071 C ALA A 74 6.060 -4.573 1.250 1.00 15.00 C ATOM 1072 O ALA A 74 6.333 -4.085 0.155 1.00 15.00 O ATOM 1073 CB ALA A 74 3.808 -5.420 1.866 1.00 15.00 C ATOM 0 H ALA A 74 5.312 -6.934 3.117 1.00 15.00 H new ATOM 0 HA ALA A 74 5.062 -6.254 0.375 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.360 -4.694 1.187 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.178 -6.308 1.916 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.896 -4.981 2.860 1.00 15.00 H new ATOM 1079 N VAL A 75 6.530 -4.095 2.404 1.00 15.00 N ATOM 1080 CA VAL A 75 7.419 -2.941 2.456 1.00 15.00 C ATOM 1081 C VAL A 75 8.450 -3.067 1.349 1.00 15.00 C ATOM 1082 O VAL A 75 8.794 -2.098 0.677 1.00 15.00 O ATOM 1083 CB VAL A 75 8.115 -2.858 3.838 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.622 -3.067 3.735 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.806 -1.545 4.528 1.00 15.00 C ATOM 0 H VAL A 75 6.307 -4.493 3.316 1.00 15.00 H new ATOM 0 HA VAL A 75 6.842 -2.027 2.315 1.00 15.00 H new ATOM 0 HB VAL A 75 7.712 -3.670 4.443 1.00 15.00 H new ATOM 0 HG11 VAL A 75 10.067 -3.000 4.728 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.825 -4.051 3.312 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.053 -2.300 3.092 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.308 -1.515 5.495 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.158 -0.718 3.911 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.730 -1.456 4.675 1.00 15.00 H new ATOM 1095 N GLU A 76 8.910 -4.295 1.159 1.00 15.00 N ATOM 1096 CA GLU A 76 9.877 -4.595 0.122 1.00 15.00 C ATOM 1097 C GLU A 76 9.255 -4.412 -1.261 1.00 15.00 C ATOM 1098 O GLU A 76 9.857 -3.799 -2.136 1.00 15.00 O ATOM 1099 CB GLU A 76 10.397 -6.026 0.277 1.00 15.00 C ATOM 1100 CG GLU A 76 10.887 -6.346 1.681 1.00 15.00 C ATOM 1101 CD GLU A 76 12.325 -6.828 1.702 1.00 15.00 C ATOM 1102 OE1 GLU A 76 13.237 -5.979 1.615 1.00 15.00 O ATOM 1103 OE2 GLU A 76 12.538 -8.054 1.804 1.00 15.00 O ATOM 0 H GLU A 76 8.625 -5.102 1.715 1.00 15.00 H new ATOM 0 HA GLU A 76 10.713 -3.903 0.223 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.603 -6.723 0.010 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.212 -6.186 -0.429 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.797 -5.457 2.305 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.245 -7.110 2.120 1.00 15.00 H new ATOM 1110 N THR A 77 8.045 -4.945 -1.456 1.00 15.00 N ATOM 1111 CA THR A 77 7.369 -4.825 -2.747 1.00 15.00 C ATOM 1112 C THR A 77 7.050 -3.371 -3.082 1.00 15.00 C ATOM 1113 O THR A 77 7.417 -2.880 -4.149 1.00 15.00 O ATOM 1114 CB THR A 77 6.090 -5.659 -2.779 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.367 -5.525 -1.571 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.342 -7.134 -3.005 1.00 15.00 C ATOM 0 H THR A 77 7.521 -5.457 -0.746 1.00 15.00 H new ATOM 0 HA THR A 77 8.056 -5.207 -3.502 1.00 15.00 H new ATOM 0 HB THR A 77 5.518 -5.271 -3.622 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.647 -4.706 -1.111 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.392 -7.668 -3.017 1.00 15.00 H new ATOM 0 HG22 THR A 77 6.849 -7.274 -3.960 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.967 -7.524 -2.202 1.00 15.00 H new ATOM 1124 N LEU A 78 6.366 -2.681 -2.169 1.00 15.00 N ATOM 1125 CA LEU A 78 6.009 -1.280 -2.391 1.00 15.00 C ATOM 1126 C LEU A 78 7.249 -0.477 -2.742 1.00 15.00 C ATOM 1127 O LEU A 78 7.256 0.304 -3.693 1.00 15.00 O ATOM 1128 CB LEU A 78 5.348 -0.674 -1.147 1.00 15.00 C ATOM 1129 CG LEU A 78 4.405 -1.601 -0.381 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.733 -0.851 0.759 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.363 -2.194 -1.316 1.00 15.00 C ATOM 0 H LEU A 78 6.051 -3.064 -1.278 1.00 15.00 H new ATOM 0 HA LEU A 78 5.299 -1.242 -3.217 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.132 -0.341 -0.467 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.790 0.212 -1.449 1.00 15.00 H new ATOM 0 HG LEU A 78 4.992 -2.417 0.041 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.065 -1.526 1.294 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.492 -0.473 1.444 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.160 -0.016 0.357 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.701 -2.851 -0.753 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.780 -1.391 -1.767 1.00 15.00 H new ATOM 0 HD23 LEU A 78 3.860 -2.765 -2.100 1.00 15.00 H new ATOM 1143 N ARG A 79 8.299 -0.687 -1.964 1.00 15.00 N ATOM 1144 CA ARG A 79 9.561 -0.004 -2.174 1.00 15.00 C ATOM 1145 C ARG A 79 10.226 -0.478 -3.467 1.00 15.00 C ATOM 1146 O ARG A 79 10.517 0.322 -4.356 1.00 15.00 O ATOM 1147 CB ARG A 79 10.480 -0.249 -0.977 1.00 15.00 C ATOM 1148 CG ARG A 79 11.422 0.908 -0.683 1.00 15.00 C ATOM 1149 CD ARG A 79 11.254 1.424 0.738 1.00 15.00 C ATOM 1150 NE ARG A 79 11.118 2.878 0.780 1.00 15.00 N ATOM 1151 CZ ARG A 79 12.145 3.720 0.706 1.00 15.00 C ATOM 1152 NH1 ARG A 79 13.383 3.258 0.583 1.00 15.00 N ATOM 1153 NH2 ARG A 79 11.933 5.028 0.753 1.00 15.00 N ATOM 0 H ARG A 79 8.299 -1.332 -1.174 1.00 15.00 H new ATOM 0 HA ARG A 79 9.373 1.066 -2.267 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.869 -0.442 -0.095 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.069 -1.148 -1.160 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.452 0.586 -0.833 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.235 1.718 -1.389 1.00 15.00 H new ATOM 0 HD2 ARG A 79 10.374 0.964 1.189 1.00 15.00 H new ATOM 0 HD3 ARG A 79 12.113 1.123 1.337 1.00 15.00 H new ATOM 0 HE ARG A 79 10.181 3.270 0.871 1.00 15.00 H new ATOM 0 HH11 ARG A 79 13.551 2.253 0.545 1.00 15.00 H new ATOM 0 HH12 ARG A 79 14.167 3.908 0.527 1.00 15.00 H new ATOM 0 HH21 ARG A 79 10.983 5.388 0.846 1.00 15.00 H new ATOM 0 HH22 ARG A 79 12.720 5.675 0.696 1.00 15.00 H new ATOM 1167 N ASN A 80 10.465 -1.785 -3.558 1.00 15.00 N ATOM 1168 CA ASN A 80 11.098 -2.381 -4.735 1.00 15.00 C ATOM 1169 C ASN A 80 10.216 -2.274 -5.981 1.00 15.00 C ATOM 1170 O ASN A 80 9.833 -3.288 -6.564 1.00 15.00 O ATOM 1171 CB ASN A 80 11.432 -3.852 -4.471 1.00 15.00 C ATOM 1172 CG ASN A 80 12.625 -4.020 -3.549 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.731 -4.320 -3.997 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.406 -3.828 -2.253 1.00 15.00 N ATOM 0 H ASN A 80 10.229 -2.455 -2.827 1.00 15.00 H new ATOM 0 HA ASN A 80 12.014 -1.821 -4.923 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.565 -4.345 -4.031 1.00 15.00 H new ATOM 0 HB3 ASN A 80 11.636 -4.351 -5.419 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.171 -3.928 -1.586 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.473 -3.580 -1.925 1.00 15.00 H new ATOM 1181 N THR A 81 9.908 -1.051 -6.399 1.00 15.00 N ATOM 1182 CA THR A 81 9.088 -0.845 -7.590 1.00 15.00 C ATOM 1183 C THR A 81 9.978 -0.610 -8.807 1.00 15.00 C ATOM 1184 O THR A 81 10.052 -1.448 -9.706 1.00 15.00 O ATOM 1185 CB THR A 81 8.132 0.334 -7.394 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.442 1.042 -6.207 1.00 15.00 O ATOM 1187 CG2 THR A 81 6.678 -0.082 -7.314 1.00 15.00 C ATOM 0 H THR A 81 10.210 -0.194 -5.936 1.00 15.00 H new ATOM 0 HA THR A 81 8.492 -1.742 -7.757 1.00 15.00 H new ATOM 0 HB THR A 81 8.267 0.963 -8.274 1.00 15.00 H new ATOM 0 HG1 THR A 81 7.947 0.653 -5.456 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.054 0.801 -7.175 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.393 -0.586 -8.237 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.539 -0.760 -6.472 1.00 15.00 H new ATOM 1195 N GLY A 82 10.661 0.531 -8.823 1.00 15.00 N ATOM 1196 CA GLY A 82 11.546 0.854 -9.920 1.00 15.00 C ATOM 1197 C GLY A 82 11.186 2.156 -10.606 1.00 15.00 C ATOM 1198 O GLY A 82 11.391 3.239 -10.058 1.00 15.00 O ATOM 0 H GLY A 82 10.614 1.239 -8.090 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.569 0.916 -9.549 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.521 0.045 -10.651 1.00 15.00 H new ATOM 1202 N GLN A 83 10.660 2.039 -11.814 1.00 15.00 N ATOM 1203 CA GLN A 83 10.274 3.208 -12.609 1.00 15.00 C ATOM 1204 C GLN A 83 9.126 3.980 -11.961 1.00 15.00 C ATOM 1205 O GLN A 83 9.336 5.021 -11.338 1.00 15.00 O ATOM 1206 CB GLN A 83 9.885 2.822 -14.051 1.00 15.00 C ATOM 1207 CG GLN A 83 9.899 1.329 -14.349 1.00 15.00 C ATOM 1208 CD GLN A 83 8.739 0.593 -13.707 1.00 15.00 C ATOM 1209 OE1 GLN A 83 8.591 0.590 -12.485 1.00 15.00 O ATOM 1210 NE2 GLN A 83 7.909 -0.037 -14.530 1.00 15.00 N ATOM 0 H GLN A 83 10.487 1.145 -12.273 1.00 15.00 H new ATOM 0 HA GLN A 83 11.153 3.852 -12.647 1.00 15.00 H new ATOM 0 HB2 GLN A 83 8.886 3.208 -14.256 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.567 3.320 -14.740 1.00 15.00 H new ATOM 0 HG2 GLN A 83 9.867 1.178 -15.428 1.00 15.00 H new ATOM 0 HG3 GLN A 83 10.837 0.901 -13.994 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.070 -0.008 -15.537 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.111 -0.550 -14.155 1.00 15.00 H new ATOM 1219 N VAL A 84 7.912 3.469 -12.133 1.00 15.00 N ATOM 1220 CA VAL A 84 6.718 4.105 -11.587 1.00 15.00 C ATOM 1221 C VAL A 84 6.134 3.282 -10.441 1.00 15.00 C ATOM 1222 O VAL A 84 6.398 2.085 -10.321 1.00 15.00 O ATOM 1223 CB VAL A 84 5.651 4.302 -12.688 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.332 4.786 -12.103 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.156 5.277 -13.739 1.00 15.00 C ATOM 0 H VAL A 84 7.728 2.609 -12.650 1.00 15.00 H new ATOM 0 HA VAL A 84 7.011 5.081 -11.200 1.00 15.00 H new ATOM 0 HB VAL A 84 5.470 3.336 -13.159 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.604 4.914 -12.904 1.00 15.00 H new ATOM 0 HG12 VAL A 84 3.960 4.052 -11.388 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.486 5.739 -11.597 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.396 5.408 -14.509 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.368 6.239 -13.271 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.067 4.885 -14.191 1.00 15.00 H new ATOM 1235 N VAL A 85 5.334 3.929 -9.604 1.00 15.00 N ATOM 1236 CA VAL A 85 4.714 3.259 -8.473 1.00 15.00 C ATOM 1237 C VAL A 85 3.283 2.848 -8.814 1.00 15.00 C ATOM 1238 O VAL A 85 2.323 3.529 -8.455 1.00 15.00 O ATOM 1239 CB VAL A 85 4.729 4.173 -7.225 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.677 3.761 -6.205 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.111 4.179 -6.591 1.00 15.00 C ATOM 0 H VAL A 85 5.100 4.918 -9.689 1.00 15.00 H new ATOM 0 HA VAL A 85 5.289 2.360 -8.249 1.00 15.00 H new ATOM 0 HB VAL A 85 4.484 5.183 -7.555 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.723 4.429 -5.345 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.688 3.820 -6.659 1.00 15.00 H new ATOM 0 HG13 VAL A 85 3.866 2.738 -5.880 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.106 4.826 -5.714 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.379 3.165 -6.292 1.00 15.00 H new ATOM 0 HG23 VAL A 85 6.840 4.549 -7.311 1.00 15.00 H new ATOM 1251 N HIS A 86 3.155 1.724 -9.512 1.00 15.00 N ATOM 1252 CA HIS A 86 1.848 1.207 -9.902 1.00 15.00 C ATOM 1253 C HIS A 86 1.395 0.126 -8.928 1.00 15.00 C ATOM 1254 O HIS A 86 1.574 -1.066 -9.177 1.00 15.00 O ATOM 1255 CB HIS A 86 1.897 0.643 -11.322 1.00 15.00 C ATOM 1256 CG HIS A 86 0.545 0.400 -11.917 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.518 1.263 -11.750 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.083 -0.617 -12.684 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.573 0.787 -12.385 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -1.235 -0.352 -12.961 1.00 15.00 N ATOM 0 H HIS A 86 3.942 1.153 -9.820 1.00 15.00 H new ATOM 0 HA HIS A 86 1.132 2.029 -9.877 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.447 1.335 -11.960 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.455 -0.294 -11.313 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.647 -1.476 -13.016 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.548 1.251 -12.426 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.853 -0.940 -13.521 1.00 15.00 H new ATOM 1269 N LEU A 87 0.823 0.555 -7.810 1.00 15.00 N ATOM 1270 CA LEU A 87 0.359 -0.366 -6.782 1.00 15.00 C ATOM 1271 C LEU A 87 -1.151 -0.571 -6.843 1.00 15.00 C ATOM 1272 O LEU A 87 -1.920 0.372 -6.676 1.00 15.00 O ATOM 1273 CB LEU A 87 0.750 0.161 -5.400 1.00 15.00 C ATOM 1274 CG LEU A 87 1.719 -0.726 -4.623 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.842 0.105 -4.019 1.00 15.00 C ATOM 1276 CD2 LEU A 87 0.979 -1.494 -3.540 1.00 15.00 C ATOM 0 H LEU A 87 0.669 1.540 -7.592 1.00 15.00 H new ATOM 0 HA LEU A 87 0.835 -1.330 -6.962 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.198 1.148 -5.517 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.156 0.291 -4.807 1.00 15.00 H new ATOM 0 HG LEU A 87 2.161 -1.443 -5.315 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.522 -0.546 -3.469 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.389 0.611 -4.815 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.421 0.846 -3.340 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.683 -2.122 -2.994 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.510 -0.791 -2.851 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.213 -2.120 -3.997 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.569 -1.813 -7.058 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.988 -2.144 -7.113 1.00 15.00 C ATOM 1290 C LEU A 88 -3.447 -2.649 -5.751 1.00 15.00 C ATOM 1291 O LEU A 88 -3.196 -3.797 -5.385 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.248 -3.199 -8.190 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.396 -2.652 -9.613 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.380 -1.549 -9.876 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.243 -3.772 -10.631 1.00 15.00 C ATOM 0 H LEU A 88 -0.945 -2.608 -7.197 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.554 -1.249 -7.370 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.429 -3.918 -8.177 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.155 -3.744 -7.931 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.394 -2.226 -9.714 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.504 -1.175 -10.892 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.536 -0.735 -9.169 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.372 -1.946 -9.755 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.351 -3.367 -11.637 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.258 -4.226 -10.527 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -4.011 -4.527 -10.460 1.00 15.00 H new ATOM 1307 N LEU A 89 -4.095 -1.774 -4.994 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.562 -2.119 -3.656 1.00 15.00 C ATOM 1309 C LEU A 89 -6.070 -2.328 -3.615 1.00 15.00 C ATOM 1310 O LEU A 89 -6.717 -2.536 -4.641 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.185 -1.021 -2.660 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.181 0.000 -3.170 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.141 1.205 -2.255 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.812 -0.632 -3.280 1.00 15.00 C ATOM 0 H LEU A 89 -4.310 -0.820 -5.283 1.00 15.00 H new ATOM 0 HA LEU A 89 -4.077 -3.056 -3.382 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.093 -0.496 -2.362 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.779 -1.490 -1.764 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.491 0.335 -4.160 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.417 1.926 -2.635 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.128 1.666 -2.218 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.849 0.891 -1.253 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.099 0.106 -3.646 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.495 -0.987 -2.299 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.854 -1.472 -3.974 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.615 -2.249 -2.405 1.00 15.00 N ATOM 1327 CA GLU A 90 -8.044 -2.404 -2.184 1.00 15.00 C ATOM 1328 C GLU A 90 -8.527 -1.382 -1.158 1.00 15.00 C ATOM 1329 O GLU A 90 -7.847 -1.115 -0.167 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.359 -3.833 -1.721 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.511 -3.934 -0.731 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.765 -5.357 -0.275 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.820 -5.995 0.235 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.909 -5.835 -0.430 1.00 15.00 O ATOM 0 H GLU A 90 -6.079 -2.076 -1.555 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.570 -2.227 -3.122 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.592 -4.442 -2.595 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.466 -4.259 -1.265 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.295 -3.311 0.137 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.416 -3.537 -1.191 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.702 -0.813 -1.402 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.272 0.181 -0.498 1.00 15.00 C ATOM 1343 C LYS A 91 -10.281 -0.329 0.940 1.00 15.00 C ATOM 1344 O LYS A 91 -11.076 -1.198 1.298 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.691 0.540 -0.937 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.253 1.763 -0.232 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.455 3.014 -0.564 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.474 3.306 -2.055 1.00 15.00 C ATOM 1349 NZ LYS A 91 -11.061 4.706 -2.352 1.00 15.00 N ATOM 0 H LYS A 91 -10.279 -1.022 -2.217 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.649 1.075 -0.539 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.696 0.716 -2.013 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.347 -0.310 -0.750 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.294 1.906 -0.523 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -12.243 1.599 0.846 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.866 3.864 -0.020 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.425 2.890 -0.229 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.807 2.614 -2.569 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -12.476 3.132 -2.446 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -11.087 4.865 -3.379 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -11.712 5.367 -1.883 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -10.095 4.865 -2.002 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.387 0.217 1.759 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.301 -0.194 3.148 1.00 15.00 C ATOM 1365 C GLY A 92 -10.514 0.220 3.957 1.00 15.00 C ATOM 1366 O GLY A 92 -11.102 1.275 3.715 1.00 15.00 O ATOM 0 H GLY A 92 -8.720 0.938 1.484 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.190 -1.277 3.196 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.406 0.238 3.596 1.00 15.00 H new