USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 9 THR OG1 : rot 74:sc= 1.26 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.1: A 22 CYS SG : rot 46:sc= 1.1 USER MOD Set 2.2: A 71 TYR OH : rot -167:sc= 1.41 USER MOD Set 3.1: A 11 GLN : amide:sc= 1.14 K(o=2,f=-0.072) USER MOD Set 3.2: A 13 GLN : amide:sc= 0.887 K(o=2,f=-2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.994 K(o=0.99,f=-0.0086) USER MOD Single : A 12 MET CE :methyl 177:sc= -0.268 (180deg=-0.275) USER MOD Single : A 17 MET CE :methyl -170:sc= -0.0297 (180deg=-0.314) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.941 K(o=0.94,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 61 THR OG1 : rot -150:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.35 X(o=0.35,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.870 -5.471 -14.638 1.00 0.00 N ATOM 14 CA LEU A 7 -5.098 -5.182 -13.426 1.00 0.00 C ATOM 15 C LEU A 7 -3.594 -5.389 -13.644 1.00 0.00 C ATOM 16 O LEU A 7 -3.180 -6.178 -14.499 1.00 0.00 O ATOM 17 CB LEU A 7 -5.684 -5.967 -12.230 1.00 0.00 C ATOM 18 CG LEU A 7 -5.827 -7.497 -12.414 1.00 0.00 C ATOM 19 CD1 LEU A 7 -4.578 -8.260 -11.959 1.00 0.00 C ATOM 20 CD2 LEU A 7 -7.026 -8.004 -11.601 1.00 0.00 C ATOM 0 HA LEU A 7 -5.192 -4.124 -13.180 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.053 -5.785 -11.360 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.668 -5.557 -12.001 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.969 -7.678 -13.479 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.730 -9.329 -12.109 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.718 -7.930 -12.542 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.397 -8.064 -10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.125 -9.082 -11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.871 -7.779 -10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.935 -7.512 -11.947 1.00 0.00 H new ATOM 31 N LYS A 8 -2.781 -4.652 -12.886 1.00 0.00 N ATOM 32 CA LYS A 8 -1.317 -4.574 -13.033 1.00 0.00 C ATOM 33 C LYS A 8 -0.629 -4.315 -11.683 1.00 0.00 C ATOM 34 O LYS A 8 -1.228 -3.687 -10.805 1.00 0.00 O ATOM 35 CB LYS A 8 -0.954 -3.487 -14.068 1.00 0.00 C ATOM 36 CG LYS A 8 -1.303 -2.053 -13.614 1.00 0.00 C ATOM 37 CD LYS A 8 -1.028 -1.026 -14.720 1.00 0.00 C ATOM 38 CE LYS A 8 -1.514 0.372 -14.312 1.00 0.00 C ATOM 39 NZ LYS A 8 -0.518 1.146 -13.535 1.00 0.00 N ATOM 0 H LYS A 8 -3.131 -4.070 -12.124 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.952 -5.536 -13.394 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.114 -3.542 -14.279 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.475 -3.699 -15.002 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.354 -2.007 -13.328 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.720 -1.799 -12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.040 -0.995 -14.933 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.528 -1.334 -15.638 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.776 0.932 -15.210 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.425 0.272 -13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.913 2.077 -13.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.284 0.633 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.344 1.272 -14.103 1.00 0.00 H new ATOM 49 N THR A 9 0.611 -4.793 -11.504 1.00 0.00 N ATOM 50 CA THR A 9 1.392 -4.579 -10.273 1.00 0.00 C ATOM 51 C THR A 9 2.097 -3.226 -10.274 1.00 0.00 C ATOM 52 O THR A 9 2.214 -2.572 -11.307 1.00 0.00 O ATOM 53 CB THR A 9 2.305 -5.777 -9.974 1.00 0.00 C ATOM 54 OG1 THR A 9 2.234 -5.981 -8.583 1.00 0.00 O ATOM 55 CG2 THR A 9 3.765 -5.633 -10.405 1.00 0.00 C ATOM 0 H THR A 9 1.103 -5.341 -12.210 1.00 0.00 H new ATOM 0 HA THR A 9 0.701 -4.528 -9.431 1.00 0.00 H new ATOM 0 HB THR A 9 1.947 -6.620 -10.565 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.371 -6.385 -8.355 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.313 -6.538 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.813 -5.479 -11.483 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.212 -4.779 -9.896 1.00 0.00 H new ATOM 63 N GLN A 10 2.539 -2.787 -9.100 1.00 0.00 N ATOM 64 CA GLN A 10 3.081 -1.453 -8.858 1.00 0.00 C ATOM 65 C GLN A 10 3.838 -1.438 -7.529 1.00 0.00 C ATOM 66 O GLN A 10 3.329 -1.943 -6.527 1.00 0.00 O ATOM 67 CB GLN A 10 1.915 -0.442 -8.824 1.00 0.00 C ATOM 68 CG GLN A 10 2.326 1.014 -8.555 1.00 0.00 C ATOM 69 CD GLN A 10 3.272 1.595 -9.607 1.00 0.00 C ATOM 70 OE1 GLN A 10 2.990 1.593 -10.802 1.00 0.00 O ATOM 71 NE2 GLN A 10 4.418 2.101 -9.213 1.00 0.00 N ATOM 0 H GLN A 10 2.530 -3.369 -8.262 1.00 0.00 H new ATOM 0 HA GLN A 10 3.774 -1.180 -9.654 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.389 -0.485 -9.778 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.207 -0.752 -8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.429 1.631 -8.506 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.806 1.071 -7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.659 2.106 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.067 2.489 -9.898 1.00 0.00 H new ATOM 78 N GLN A 11 5.021 -0.823 -7.510 1.00 0.00 N ATOM 79 CA GLN A 11 5.782 -0.513 -6.302 1.00 0.00 C ATOM 80 C GLN A 11 5.350 0.852 -5.741 1.00 0.00 C ATOM 81 O GLN A 11 5.221 1.827 -6.487 1.00 0.00 O ATOM 82 CB GLN A 11 7.280 -0.523 -6.647 1.00 0.00 C ATOM 83 CG GLN A 11 8.193 -0.422 -5.413 1.00 0.00 C ATOM 84 CD GLN A 11 9.660 -0.256 -5.811 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.198 -0.976 -6.647 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.363 0.711 -5.264 1.00 0.00 N ATOM 0 H GLN A 11 5.490 -0.518 -8.363 1.00 0.00 H new ATOM 0 HA GLN A 11 5.589 -1.262 -5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.514 -1.439 -7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.496 0.308 -7.318 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.884 0.424 -4.799 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.080 -1.317 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.936 1.321 -4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.336 0.851 -5.536 1.00 0.00 H new ATOM 93 N MET A 12 5.168 0.925 -4.421 1.00 0.00 N ATOM 94 CA MET A 12 4.809 2.132 -3.672 1.00 0.00 C ATOM 95 C MET A 12 5.830 2.370 -2.555 1.00 0.00 C ATOM 96 O MET A 12 6.157 1.456 -1.793 1.00 0.00 O ATOM 97 CB MET A 12 3.377 1.967 -3.129 1.00 0.00 C ATOM 98 CG MET A 12 3.009 2.998 -2.057 1.00 0.00 C ATOM 99 SD MET A 12 1.275 2.968 -1.531 1.00 0.00 S ATOM 100 CE MET A 12 0.517 3.833 -2.929 1.00 0.00 C ATOM 0 H MET A 12 5.271 0.109 -3.818 1.00 0.00 H new ATOM 0 HA MET A 12 4.830 3.010 -4.318 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.672 2.047 -3.956 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.268 0.966 -2.712 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.641 2.834 -1.184 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.241 3.993 -2.436 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.565 3.859 -2.798 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.901 4.852 -2.978 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.758 3.310 -3.854 1.00 0.00 H new ATOM 108 N GLN A 13 6.303 3.611 -2.433 1.00 0.00 N ATOM 109 CA GLN A 13 7.225 4.019 -1.377 1.00 0.00 C ATOM 110 C GLN A 13 6.415 4.493 -0.167 1.00 0.00 C ATOM 111 O GLN A 13 5.409 5.188 -0.329 1.00 0.00 O ATOM 112 CB GLN A 13 8.159 5.134 -1.884 1.00 0.00 C ATOM 113 CG GLN A 13 8.969 4.768 -3.139 1.00 0.00 C ATOM 114 CD GLN A 13 9.817 3.517 -2.938 1.00 0.00 C ATOM 115 OE1 GLN A 13 9.407 2.410 -3.258 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.007 3.631 -2.392 1.00 0.00 N ATOM 0 H GLN A 13 6.053 4.367 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 13 7.847 3.173 -1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.562 6.021 -2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.851 5.401 -1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.288 4.611 -3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.616 5.603 -3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.358 4.550 -2.122 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.579 2.801 -2.239 1.00 0.00 H new ATOM 123 N VAL A 14 6.851 4.162 1.049 1.00 0.00 N ATOM 124 CA VAL A 14 6.101 4.396 2.299 1.00 0.00 C ATOM 125 C VAL A 14 7.068 4.670 3.454 1.00 0.00 C ATOM 126 O VAL A 14 8.128 4.052 3.532 1.00 0.00 O ATOM 127 CB VAL A 14 5.154 3.202 2.612 1.00 0.00 C ATOM 128 CG1 VAL A 14 4.767 3.057 4.097 1.00 0.00 C ATOM 129 CG2 VAL A 14 3.849 3.298 1.813 1.00 0.00 C ATOM 0 H VAL A 14 7.754 3.714 1.203 1.00 0.00 H new ATOM 0 HA VAL A 14 5.474 5.278 2.170 1.00 0.00 H new ATOM 0 HB VAL A 14 5.740 2.328 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.106 2.199 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.667 2.910 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.255 3.960 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.211 2.448 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.333 4.224 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.074 3.290 0.746 1.00 0.00 H new ATOM 139 N GLY A 15 6.689 5.588 4.352 1.00 0.00 N ATOM 140 CA GLY A 15 7.485 6.003 5.512 1.00 0.00 C ATOM 141 C GLY A 15 6.928 5.495 6.840 1.00 0.00 C ATOM 142 O GLY A 15 5.929 6.034 7.324 1.00 0.00 O ATOM 0 H GLY A 15 5.795 6.076 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.506 5.640 5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.534 7.092 5.539 1.00 0.00 H new ATOM 146 N GLY A 16 7.623 4.530 7.455 1.00 0.00 N ATOM 147 CA GLY A 16 7.451 4.126 8.860 1.00 0.00 C ATOM 148 C GLY A 16 7.196 2.637 9.135 1.00 0.00 C ATOM 149 O GLY A 16 7.132 2.251 10.301 1.00 0.00 O ATOM 0 H GLY A 16 8.344 3.991 6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.345 4.423 9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.619 4.694 9.275 1.00 0.00 H new ATOM 153 N MET A 17 7.096 1.769 8.121 1.00 0.00 N ATOM 154 CA MET A 17 6.814 0.330 8.308 1.00 0.00 C ATOM 155 C MET A 17 7.958 -0.466 8.957 1.00 0.00 C ATOM 156 O MET A 17 7.744 -1.626 9.311 1.00 0.00 O ATOM 157 CB MET A 17 6.416 -0.332 6.977 1.00 0.00 C ATOM 158 CG MET A 17 5.098 0.217 6.423 1.00 0.00 C ATOM 159 SD MET A 17 4.440 -0.665 4.979 1.00 0.00 S ATOM 160 CE MET A 17 5.823 -0.509 3.823 1.00 0.00 C ATOM 0 H MET A 17 7.208 2.040 7.144 1.00 0.00 H new ATOM 0 HA MET A 17 5.980 0.299 9.010 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.208 -0.175 6.245 1.00 0.00 H new ATOM 0 HB3 MET A 17 6.325 -1.408 7.123 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.350 0.192 7.216 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.243 1.263 6.155 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.510 -0.842 2.834 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.139 0.533 3.772 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.655 -1.124 4.166 1.00 0.00 H new ATOM 219 N CYS A 22 4.543 -3.460 11.693 1.00 0.00 N ATOM 220 CA CYS A 22 3.300 -2.919 11.127 1.00 0.00 C ATOM 221 C CYS A 22 2.922 -3.482 9.745 1.00 0.00 C ATOM 222 O CYS A 22 1.839 -3.158 9.257 1.00 0.00 O ATOM 223 CB CYS A 22 3.431 -1.387 11.035 1.00 0.00 C ATOM 224 SG CYS A 22 3.607 -0.654 12.683 1.00 0.00 S ATOM 0 HA CYS A 22 2.497 -3.224 11.797 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.295 -1.128 10.423 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.553 -0.972 10.540 1.00 0.00 H new ATOM 0 HG CYS A 22 4.473 -1.337 13.371 1.00 0.00 H new ATOM 229 N ALA A 23 3.759 -4.315 9.118 1.00 0.00 N ATOM 230 CA ALA A 23 3.451 -5.010 7.862 1.00 0.00 C ATOM 231 C ALA A 23 2.057 -5.666 7.887 1.00 0.00 C ATOM 232 O ALA A 23 1.288 -5.522 6.940 1.00 0.00 O ATOM 233 CB ALA A 23 4.546 -6.054 7.616 1.00 0.00 C ATOM 0 H ALA A 23 4.689 -4.530 9.476 1.00 0.00 H new ATOM 0 HA ALA A 23 3.429 -4.285 7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.340 -6.585 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.513 -5.557 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.565 -6.764 8.443 1.00 0.00 H new ATOM 239 N SER A 24 1.682 -6.311 8.993 1.00 0.00 N ATOM 240 CA SER A 24 0.364 -6.945 9.139 1.00 0.00 C ATOM 241 C SER A 24 -0.770 -5.920 9.319 1.00 0.00 C ATOM 242 O SER A 24 -1.889 -6.177 8.900 1.00 0.00 O ATOM 243 CB SER A 24 0.371 -7.948 10.303 1.00 0.00 C ATOM 244 OG SER A 24 1.440 -8.879 10.195 1.00 0.00 O ATOM 0 H SER A 24 2.280 -6.410 9.813 1.00 0.00 H new ATOM 0 HA SER A 24 0.167 -7.478 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.454 -7.408 11.246 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.577 -8.485 10.325 1.00 0.00 H new ATOM 0 HG SER A 24 1.412 -9.499 10.954 1.00 0.00 H new ATOM 249 N SER A 25 -0.508 -4.723 9.848 1.00 0.00 N ATOM 250 CA SER A 25 -1.515 -3.653 9.981 1.00 0.00 C ATOM 251 C SER A 25 -1.871 -3.031 8.617 1.00 0.00 C ATOM 252 O SER A 25 -2.943 -2.445 8.450 1.00 0.00 O ATOM 253 CB SER A 25 -1.063 -2.574 10.996 1.00 0.00 C ATOM 254 OG SER A 25 -0.293 -3.143 12.057 1.00 0.00 O ATOM 0 H SER A 25 0.413 -4.461 10.200 1.00 0.00 H new ATOM 0 HA SER A 25 -2.423 -4.111 10.372 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.472 -1.815 10.483 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.938 -2.072 11.409 1.00 0.00 H new ATOM 0 HG SER A 25 -0.022 -2.436 12.680 1.00 0.00 H new ATOM 259 N ILE A 26 -1.001 -3.214 7.614 1.00 0.00 N ATOM 260 CA ILE A 26 -1.323 -3.055 6.189 1.00 0.00 C ATOM 261 C ILE A 26 -1.985 -4.336 5.651 1.00 0.00 C ATOM 262 O ILE A 26 -3.116 -4.289 5.167 1.00 0.00 O ATOM 263 CB ILE A 26 -0.049 -2.653 5.390 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.370 -1.177 5.618 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.236 -2.844 3.875 1.00 0.00 C ATOM 266 CD1 ILE A 26 1.252 -0.952 6.850 1.00 0.00 C ATOM 0 H ILE A 26 -0.030 -3.483 7.775 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.043 -2.246 6.062 1.00 0.00 H new ATOM 0 HB ILE A 26 0.730 -3.315 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.903 -0.823 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.529 -0.568 5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.677 -2.552 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.454 -3.891 3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.064 -2.225 3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.498 0.107 6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.717 -1.272 7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.170 -1.531 6.751 1.00 0.00 H new ATOM 277 N GLU A 27 -1.302 -5.482 5.713 1.00 0.00 N ATOM 278 CA GLU A 27 -1.663 -6.675 4.930 1.00 0.00 C ATOM 279 C GLU A 27 -2.935 -7.397 5.427 1.00 0.00 C ATOM 280 O GLU A 27 -3.537 -8.161 4.666 1.00 0.00 O ATOM 281 CB GLU A 27 -0.491 -7.670 4.897 1.00 0.00 C ATOM 282 CG GLU A 27 0.714 -7.175 4.083 1.00 0.00 C ATOM 283 CD GLU A 27 1.874 -8.176 4.067 1.00 0.00 C ATOM 284 OE1 GLU A 27 2.042 -8.973 5.023 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.669 -8.155 3.095 1.00 0.00 O ATOM 0 H GLU A 27 -0.483 -5.613 6.306 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.885 -6.309 3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.170 -7.874 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.839 -8.614 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.398 -6.977 3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.063 -6.229 4.498 1.00 0.00 H new ATOM 290 N ARG A 28 -3.371 -7.139 6.668 1.00 0.00 N ATOM 291 CA ARG A 28 -4.649 -7.598 7.240 1.00 0.00 C ATOM 292 C ARG A 28 -5.839 -6.701 6.845 1.00 0.00 C ATOM 293 O ARG A 28 -6.990 -7.070 7.060 1.00 0.00 O ATOM 294 CB ARG A 28 -4.497 -7.719 8.768 1.00 0.00 C ATOM 295 CG ARG A 28 -5.555 -8.616 9.434 1.00 0.00 C ATOM 296 CD ARG A 28 -5.384 -8.714 10.960 1.00 0.00 C ATOM 297 NE ARG A 28 -4.029 -9.116 11.388 1.00 0.00 N ATOM 298 CZ ARG A 28 -3.441 -10.290 11.211 1.00 0.00 C ATOM 299 NH1 ARG A 28 -4.005 -11.285 10.574 1.00 0.00 N ATOM 300 NH2 ARG A 28 -2.242 -10.515 11.691 1.00 0.00 N ATOM 0 H ARG A 28 -2.825 -6.585 7.327 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.882 -8.577 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.507 -8.114 8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.551 -6.723 9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.548 -8.226 9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.500 -9.615 9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.623 -7.748 11.405 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.105 -9.432 11.351 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.482 -8.407 11.877 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.942 -11.176 10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.507 -12.169 10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.753 -9.783 12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.798 -11.422 11.549 1.00 0.00 H new ATOM 311 N ALA A 29 -5.582 -5.544 6.224 1.00 0.00 N ATOM 312 CA ALA A 29 -6.600 -4.745 5.537 1.00 0.00 C ATOM 313 C ALA A 29 -6.535 -4.895 4.005 1.00 0.00 C ATOM 314 O ALA A 29 -7.576 -4.865 3.354 1.00 0.00 O ATOM 315 CB ALA A 29 -6.420 -3.285 5.959 1.00 0.00 C ATOM 0 H ALA A 29 -4.650 -5.132 6.185 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.588 -5.105 5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.167 -2.667 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.541 -3.201 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.423 -2.945 5.678 1.00 0.00 H new ATOM 321 N LEU A 30 -5.342 -5.074 3.424 1.00 0.00 N ATOM 322 CA LEU A 30 -5.071 -5.008 1.975 1.00 0.00 C ATOM 323 C LEU A 30 -5.717 -6.118 1.109 1.00 0.00 C ATOM 324 O LEU A 30 -5.534 -6.130 -0.107 1.00 0.00 O ATOM 325 CB LEU A 30 -3.540 -4.887 1.805 1.00 0.00 C ATOM 326 CG LEU A 30 -3.007 -4.484 0.411 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.757 -3.300 -0.213 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.522 -4.113 0.537 1.00 0.00 C ATOM 0 H LEU A 30 -4.504 -5.277 3.968 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.573 -4.129 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.178 -4.156 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.095 -5.846 2.071 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.159 -5.341 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.330 -3.072 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.810 -3.557 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.665 -2.429 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.134 -3.827 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.413 -3.278 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.963 -4.971 0.912 1.00 0.00 H new ATOM 339 N GLU A 31 -6.506 -7.023 1.691 1.00 0.00 N ATOM 340 CA GLU A 31 -7.413 -7.930 0.972 1.00 0.00 C ATOM 341 C GLU A 31 -8.893 -7.707 1.328 1.00 0.00 C ATOM 342 O GLU A 31 -9.783 -8.132 0.578 1.00 0.00 O ATOM 343 CB GLU A 31 -7.052 -9.389 1.262 1.00 0.00 C ATOM 344 CG GLU A 31 -5.553 -9.671 1.146 1.00 0.00 C ATOM 345 CD GLU A 31 -5.327 -11.143 0.836 1.00 0.00 C ATOM 346 OE1 GLU A 31 -5.772 -12.008 1.628 1.00 0.00 O ATOM 347 OE2 GLU A 31 -4.749 -11.437 -0.237 1.00 0.00 O ATOM 0 H GLU A 31 -6.535 -7.152 2.702 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.286 -7.707 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.387 -9.647 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.592 -10.035 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.117 -9.054 0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.051 -9.405 2.076 1.00 0.00 H new ATOM 352 N ARG A 32 -9.180 -7.019 2.440 1.00 0.00 N ATOM 353 CA ARG A 32 -10.517 -6.521 2.783 1.00 0.00 C ATOM 354 C ARG A 32 -10.925 -5.377 1.844 1.00 0.00 C ATOM 355 O ARG A 32 -12.116 -5.242 1.551 1.00 0.00 O ATOM 356 CB ARG A 32 -10.570 -6.048 4.249 1.00 0.00 C ATOM 357 CG ARG A 32 -10.228 -7.156 5.259 1.00 0.00 C ATOM 358 CD ARG A 32 -10.297 -6.628 6.696 1.00 0.00 C ATOM 359 NE ARG A 32 -10.023 -7.697 7.666 1.00 0.00 N ATOM 360 CZ ARG A 32 -9.698 -7.545 8.942 1.00 0.00 C ATOM 361 NH1 ARG A 32 -9.531 -6.373 9.515 1.00 0.00 N ATOM 362 NH2 ARG A 32 -9.537 -8.602 9.699 1.00 0.00 N ATOM 0 H ARG A 32 -8.475 -6.789 3.140 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.222 -7.343 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.875 -5.219 4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.568 -5.665 4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.921 -7.989 5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.229 -7.542 5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.575 -5.822 6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.284 -6.206 6.885 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.090 -8.655 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.652 -5.518 8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.281 -6.319 10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.662 -9.535 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.287 -8.492 10.682 1.00 0.00 H new ATOM 373 N LEU A 33 -9.955 -4.610 1.322 1.00 0.00 N ATOM 374 CA LEU A 33 -10.191 -3.529 0.352 1.00 0.00 C ATOM 375 C LEU A 33 -10.808 -4.033 -0.966 1.00 0.00 C ATOM 376 O LEU A 33 -10.591 -5.176 -1.376 1.00 0.00 O ATOM 377 CB LEU A 33 -8.886 -2.758 0.052 1.00 0.00 C ATOM 378 CG LEU A 33 -8.099 -2.207 1.256 1.00 0.00 C ATOM 379 CD1 LEU A 33 -6.907 -1.370 0.777 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.960 -1.377 2.212 1.00 0.00 C ATOM 0 H LEU A 33 -8.971 -4.725 1.565 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.912 -2.857 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.225 -3.419 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.131 -1.921 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.747 -3.075 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.361 -0.988 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.245 -1.992 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.267 -0.535 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.345 -1.019 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.380 -0.526 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.768 -1.995 2.603 1.00 0.00 H new ATOM 391 N LYS A 34 -11.537 -3.149 -1.650 1.00 0.00 N ATOM 392 CA LYS A 34 -12.071 -3.371 -3.002 1.00 0.00 C ATOM 393 C LYS A 34 -10.985 -3.202 -4.090 1.00 0.00 C ATOM 394 O LYS A 34 -9.931 -2.613 -3.843 1.00 0.00 O ATOM 395 CB LYS A 34 -13.245 -2.401 -3.225 1.00 0.00 C ATOM 396 CG LYS A 34 -14.504 -2.806 -2.440 1.00 0.00 C ATOM 397 CD LYS A 34 -15.592 -1.734 -2.588 1.00 0.00 C ATOM 398 CE LYS A 34 -16.930 -2.177 -1.985 1.00 0.00 C ATOM 399 NZ LYS A 34 -17.925 -1.080 -2.034 1.00 0.00 N ATOM 0 H LYS A 34 -11.781 -2.234 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.421 -4.400 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.943 -1.397 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.481 -2.361 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.876 -3.764 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.257 -2.940 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.263 -0.816 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.731 -1.503 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.310 -3.041 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.781 -2.491 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.822 -1.406 -1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.570 -0.265 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.083 -0.798 -3.023 1.00 0.00 H new ATOM 409 N GLY A 35 -11.211 -3.717 -5.308 1.00 0.00 N ATOM 410 CA GLY A 35 -10.407 -3.455 -6.524 1.00 0.00 C ATOM 411 C GLY A 35 -8.997 -4.065 -6.579 1.00 0.00 C ATOM 412 O GLY A 35 -8.564 -4.494 -7.647 1.00 0.00 O ATOM 0 H GLY A 35 -11.988 -4.353 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.967 -3.821 -7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.313 -2.375 -6.641 1.00 0.00 H new ATOM 416 N VAL A 36 -8.289 -4.122 -5.451 1.00 0.00 N ATOM 417 CA VAL A 36 -6.984 -4.789 -5.267 1.00 0.00 C ATOM 418 C VAL A 36 -7.058 -6.305 -5.526 1.00 0.00 C ATOM 419 O VAL A 36 -8.135 -6.901 -5.444 1.00 0.00 O ATOM 420 CB VAL A 36 -6.395 -4.517 -3.861 1.00 0.00 C ATOM 421 CG1 VAL A 36 -6.106 -3.018 -3.662 1.00 0.00 C ATOM 422 CG2 VAL A 36 -7.325 -5.002 -2.738 1.00 0.00 C ATOM 0 H VAL A 36 -8.621 -3.684 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.316 -4.356 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.463 -5.080 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.693 -2.856 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.388 -2.683 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.031 -2.452 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.869 -4.790 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.282 -4.485 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.484 -6.076 -2.836 1.00 0.00 H new ATOM 432 N ALA A 37 -5.919 -6.925 -5.862 1.00 0.00 N ATOM 433 CA ALA A 37 -5.860 -8.322 -6.312 1.00 0.00 C ATOM 434 C ALA A 37 -4.688 -9.167 -5.769 1.00 0.00 C ATOM 435 O ALA A 37 -4.866 -10.379 -5.624 1.00 0.00 O ATOM 436 CB ALA A 37 -5.829 -8.298 -7.844 1.00 0.00 C ATOM 0 H ALA A 37 -5.007 -6.469 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.740 -8.821 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.785 -9.319 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.729 -7.811 -8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.951 -7.747 -8.182 1.00 0.00 H new ATOM 442 N GLU A 38 -3.516 -8.586 -5.486 1.00 0.00 N ATOM 443 CA GLU A 38 -2.326 -9.312 -5.002 1.00 0.00 C ATOM 444 C GLU A 38 -1.242 -8.338 -4.517 1.00 0.00 C ATOM 445 O GLU A 38 -0.718 -7.560 -5.314 1.00 0.00 O ATOM 446 CB GLU A 38 -1.770 -10.250 -6.100 1.00 0.00 C ATOM 447 CG GLU A 38 -0.578 -11.094 -5.626 1.00 0.00 C ATOM 448 CD GLU A 38 -0.127 -12.094 -6.692 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.492 -11.683 -7.701 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.363 -13.315 -6.526 1.00 0.00 O ATOM 0 H GLU A 38 -3.361 -7.583 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.630 -9.924 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.565 -10.914 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.465 -9.653 -6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.253 -10.437 -5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.852 -11.631 -4.718 1.00 0.00 H new ATOM 455 N ALA A 39 -0.867 -8.378 -3.234 1.00 0.00 N ATOM 456 CA ALA A 39 0.052 -7.391 -2.650 1.00 0.00 C ATOM 457 C ALA A 39 0.979 -7.938 -1.549 1.00 0.00 C ATOM 458 O ALA A 39 0.664 -8.918 -0.869 1.00 0.00 O ATOM 459 CB ALA A 39 -0.791 -6.227 -2.123 1.00 0.00 C ATOM 0 H ALA A 39 -1.187 -9.088 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 39 0.735 -7.074 -3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.137 -5.475 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.352 -5.783 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.485 -6.593 -1.366 1.00 0.00 H new ATOM 465 N SER A 40 2.105 -7.255 -1.336 1.00 0.00 N ATOM 466 CA SER A 40 3.155 -7.634 -0.383 1.00 0.00 C ATOM 467 C SER A 40 3.883 -6.412 0.201 1.00 0.00 C ATOM 468 O SER A 40 4.486 -5.634 -0.546 1.00 0.00 O ATOM 469 CB SER A 40 4.216 -8.497 -1.086 1.00 0.00 C ATOM 470 OG SER A 40 3.674 -9.694 -1.619 1.00 0.00 O ATOM 0 H SER A 40 2.320 -6.394 -1.838 1.00 0.00 H new ATOM 0 HA SER A 40 2.659 -8.178 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.675 -7.920 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.007 -8.744 -0.378 1.00 0.00 H new ATOM 0 HG SER A 40 4.384 -10.208 -2.057 1.00 0.00 H new ATOM 475 N VAL A 41 3.918 -6.279 1.530 1.00 0.00 N ATOM 476 CA VAL A 41 4.884 -5.414 2.231 1.00 0.00 C ATOM 477 C VAL A 41 6.220 -6.155 2.301 1.00 0.00 C ATOM 478 O VAL A 41 6.242 -7.326 2.694 1.00 0.00 O ATOM 479 CB VAL A 41 4.416 -5.057 3.664 1.00 0.00 C ATOM 480 CG1 VAL A 41 5.493 -4.278 4.444 1.00 0.00 C ATOM 481 CG2 VAL A 41 3.131 -4.216 3.637 1.00 0.00 C ATOM 0 H VAL A 41 3.278 -6.767 2.156 1.00 0.00 H new ATOM 0 HA VAL A 41 4.977 -4.478 1.680 1.00 0.00 H new ATOM 0 HB VAL A 41 4.227 -6.005 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.124 -4.048 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.396 -4.884 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.723 -3.350 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.828 -3.982 4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.313 -3.290 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.338 -4.778 3.143 1.00 0.00 H new ATOM 491 N THR A 42 7.324 -5.476 1.964 1.00 0.00 N ATOM 492 CA THR A 42 8.692 -5.997 2.128 1.00 0.00 C ATOM 493 C THR A 42 9.332 -5.318 3.333 1.00 0.00 C ATOM 494 O THR A 42 9.687 -4.144 3.266 1.00 0.00 O ATOM 495 CB THR A 42 9.507 -5.802 0.846 1.00 0.00 C ATOM 496 OG1 THR A 42 8.843 -6.487 -0.196 1.00 0.00 O ATOM 497 CG2 THR A 42 10.915 -6.386 0.982 1.00 0.00 C ATOM 0 H THR A 42 7.295 -4.538 1.565 1.00 0.00 H new ATOM 0 HA THR A 42 8.665 -7.071 2.311 1.00 0.00 H new ATOM 0 HB THR A 42 9.595 -4.735 0.644 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.344 -6.377 -1.031 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.465 -6.230 0.054 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.437 -5.891 1.801 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.847 -7.454 1.188 1.00 0.00 H new ATOM 505 N VAL A 43 9.474 -6.046 4.440 1.00 0.00 N ATOM 506 CA VAL A 43 10.003 -5.525 5.718 1.00 0.00 C ATOM 507 C VAL A 43 11.522 -5.267 5.642 1.00 0.00 C ATOM 508 O VAL A 43 12.031 -4.387 6.337 1.00 0.00 O ATOM 509 CB VAL A 43 9.652 -6.490 6.877 1.00 0.00 C ATOM 510 CG1 VAL A 43 10.349 -6.154 8.209 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.136 -6.438 7.127 1.00 0.00 C ATOM 0 H VAL A 43 9.222 -7.034 4.483 1.00 0.00 H new ATOM 0 HA VAL A 43 9.527 -4.564 5.915 1.00 0.00 H new ATOM 0 HB VAL A 43 9.997 -7.475 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.050 -6.877 8.968 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.430 -6.195 8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.061 -5.152 8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.878 -7.115 7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.846 -5.422 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.608 -6.741 6.223 1.00 0.00 H new ATOM 521 N ALA A 44 12.249 -5.981 4.772 1.00 0.00 N ATOM 522 CA ALA A 44 13.689 -5.809 4.540 1.00 0.00 C ATOM 523 C ALA A 44 14.069 -4.458 3.890 1.00 0.00 C ATOM 524 O ALA A 44 15.231 -4.045 3.984 1.00 0.00 O ATOM 525 CB ALA A 44 14.165 -6.989 3.684 1.00 0.00 C ATOM 0 H ALA A 44 11.840 -6.715 4.194 1.00 0.00 H new ATOM 0 HA ALA A 44 14.190 -5.794 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.234 -6.892 3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.975 -7.923 4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.626 -6.992 2.737 1.00 0.00 H new ATOM 531 N THR A 45 13.117 -3.764 3.253 1.00 0.00 N ATOM 532 CA THR A 45 13.296 -2.430 2.642 1.00 0.00 C ATOM 533 C THR A 45 12.382 -1.377 3.255 1.00 0.00 C ATOM 534 O THR A 45 12.815 -0.242 3.434 1.00 0.00 O ATOM 535 CB THR A 45 13.073 -2.489 1.126 1.00 0.00 C ATOM 536 OG1 THR A 45 11.888 -3.195 0.844 1.00 0.00 O ATOM 537 CG2 THR A 45 14.229 -3.196 0.422 1.00 0.00 C ATOM 0 H THR A 45 12.169 -4.123 3.142 1.00 0.00 H new ATOM 0 HA THR A 45 14.325 -2.134 2.847 1.00 0.00 H new ATOM 0 HB THR A 45 13.006 -1.463 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.750 -3.228 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.041 -3.221 -0.651 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.157 -2.657 0.615 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.316 -4.215 0.799 1.00 0.00 H new ATOM 545 N GLY A 46 11.154 -1.739 3.633 1.00 0.00 N ATOM 546 CA GLY A 46 10.149 -0.809 4.160 1.00 0.00 C ATOM 547 C GLY A 46 9.320 -0.171 3.047 1.00 0.00 C ATOM 548 O GLY A 46 8.997 1.016 3.136 1.00 0.00 O ATOM 0 H GLY A 46 10.823 -2.702 3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.488 -1.340 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.645 -0.028 4.736 1.00 0.00 H new ATOM 552 N ARG A 47 8.984 -0.938 2.004 1.00 0.00 N ATOM 553 CA ARG A 47 8.175 -0.492 0.860 1.00 0.00 C ATOM 554 C ARG A 47 7.092 -1.516 0.499 1.00 0.00 C ATOM 555 O ARG A 47 7.072 -2.632 1.028 1.00 0.00 O ATOM 556 CB ARG A 47 9.093 -0.137 -0.328 1.00 0.00 C ATOM 557 CG ARG A 47 9.557 -1.337 -1.164 1.00 0.00 C ATOM 558 CD ARG A 47 10.706 -0.931 -2.092 1.00 0.00 C ATOM 559 NE ARG A 47 11.012 -2.011 -3.039 1.00 0.00 N ATOM 560 CZ ARG A 47 11.985 -2.026 -3.938 1.00 0.00 C ATOM 561 NH1 ARG A 47 12.827 -1.027 -4.071 1.00 0.00 N ATOM 562 NH2 ARG A 47 12.126 -3.050 -4.745 1.00 0.00 N ATOM 0 H ARG A 47 9.274 -1.913 1.929 1.00 0.00 H new ATOM 0 HA ARG A 47 7.638 0.415 1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.567 0.560 -0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.971 0.384 0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.881 -2.143 -0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.724 -1.721 -1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.437 -0.027 -2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.592 -0.696 -1.502 1.00 0.00 H new ATOM 0 HE ARG A 47 10.413 -2.836 -3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.743 -0.206 -3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.565 -1.072 -4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.485 -3.841 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.877 -3.056 -5.435 1.00 0.00 H new ATOM 573 N LEU A 48 6.172 -1.119 -0.379 1.00 0.00 N ATOM 574 CA LEU A 48 5.029 -1.921 -0.813 1.00 0.00 C ATOM 575 C LEU A 48 5.148 -2.324 -2.282 1.00 0.00 C ATOM 576 O LEU A 48 5.700 -1.585 -3.101 1.00 0.00 O ATOM 577 CB LEU A 48 3.736 -1.105 -0.600 1.00 0.00 C ATOM 578 CG LEU A 48 2.901 -1.570 0.603 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.798 -0.540 0.848 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.244 -2.935 0.343 1.00 0.00 C ATOM 0 H LEU A 48 6.203 -0.201 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 48 5.004 -2.836 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.998 -0.056 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.125 -1.168 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 48 3.560 -1.666 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.192 -0.851 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.247 0.431 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.167 -0.465 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.662 -3.231 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.587 -2.863 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.016 -3.680 0.152 1.00 0.00 H new ATOM 591 N THR A 49 4.502 -3.442 -2.615 1.00 0.00 N ATOM 592 CA THR A 49 4.158 -3.830 -3.987 1.00 0.00 C ATOM 593 C THR A 49 2.701 -4.256 -3.979 1.00 0.00 C ATOM 594 O THR A 49 2.301 -5.026 -3.108 1.00 0.00 O ATOM 595 CB THR A 49 5.054 -4.950 -4.526 1.00 0.00 C ATOM 596 OG1 THR A 49 6.403 -4.586 -4.359 1.00 0.00 O ATOM 597 CG2 THR A 49 4.828 -5.154 -6.025 1.00 0.00 C ATOM 0 H THR A 49 4.194 -4.122 -1.920 1.00 0.00 H new ATOM 0 HA THR A 49 4.317 -2.983 -4.655 1.00 0.00 H new ATOM 0 HB THR A 49 4.813 -5.863 -3.982 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.979 -5.301 -4.701 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.475 -5.954 -6.385 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.786 -5.422 -6.203 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.061 -4.232 -6.557 1.00 0.00 H new ATOM 605 N VAL A 50 1.911 -3.742 -4.915 1.00 0.00 N ATOM 606 CA VAL A 50 0.447 -3.886 -4.938 1.00 0.00 C ATOM 607 C VAL A 50 -0.068 -4.029 -6.372 1.00 0.00 C ATOM 608 O VAL A 50 0.254 -3.214 -7.235 1.00 0.00 O ATOM 609 CB VAL A 50 -0.234 -2.712 -4.177 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.152 -1.312 -4.696 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.768 -2.832 -4.150 1.00 0.00 C ATOM 0 H VAL A 50 2.272 -3.200 -5.700 1.00 0.00 H new ATOM 0 HA VAL A 50 0.180 -4.804 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 50 0.154 -2.807 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.366 -0.552 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.229 -1.172 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.134 -1.221 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.190 -1.986 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.151 -2.835 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.052 -3.760 -3.654 1.00 0.00 H new ATOM 621 N THR A 51 -0.867 -5.074 -6.616 1.00 0.00 N ATOM 622 CA THR A 51 -1.627 -5.292 -7.852 1.00 0.00 C ATOM 623 C THR A 51 -3.065 -4.871 -7.626 1.00 0.00 C ATOM 624 O THR A 51 -3.707 -5.345 -6.688 1.00 0.00 O ATOM 625 CB THR A 51 -1.569 -6.758 -8.300 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.220 -7.120 -8.467 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.263 -6.980 -9.648 1.00 0.00 C ATOM 0 H THR A 51 -1.007 -5.818 -5.933 1.00 0.00 H new ATOM 0 HA THR A 51 -1.181 -4.692 -8.645 1.00 0.00 H new ATOM 0 HB THR A 51 -2.073 -7.354 -7.539 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.165 -8.056 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.196 -8.033 -9.923 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.311 -6.692 -9.569 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.776 -6.374 -10.412 1.00 0.00 H new ATOM 635 N TYR A 52 -3.569 -4.020 -8.517 1.00 0.00 N ATOM 636 CA TYR A 52 -4.927 -3.471 -8.480 1.00 0.00 C ATOM 637 C TYR A 52 -5.472 -3.165 -9.886 1.00 0.00 C ATOM 638 O TYR A 52 -4.714 -3.087 -10.855 1.00 0.00 O ATOM 639 CB TYR A 52 -4.959 -2.232 -7.562 1.00 0.00 C ATOM 640 CG TYR A 52 -4.184 -1.006 -8.030 1.00 0.00 C ATOM 641 CD1 TYR A 52 -2.818 -0.854 -7.709 1.00 0.00 C ATOM 642 CD2 TYR A 52 -4.844 0.024 -8.729 1.00 0.00 C ATOM 643 CE1 TYR A 52 -2.116 0.311 -8.084 1.00 0.00 C ATOM 644 CE2 TYR A 52 -4.151 1.192 -9.103 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.783 1.340 -8.787 1.00 0.00 C ATOM 646 OH TYR A 52 -2.133 2.482 -9.155 1.00 0.00 O ATOM 0 H TYR A 52 -3.027 -3.681 -9.312 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.593 -4.228 -8.065 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.000 -1.941 -7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.574 -2.524 -6.585 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.305 -1.637 -7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.889 -0.083 -8.980 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.071 0.416 -7.834 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.668 1.978 -9.634 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.754 3.073 -9.630 1.00 0.00 H new ATOM 655 N ASP A 53 -6.792 -2.996 -9.997 1.00 0.00 N ATOM 656 CA ASP A 53 -7.483 -2.562 -11.204 1.00 0.00 C ATOM 657 C ASP A 53 -7.508 -1.021 -11.192 1.00 0.00 C ATOM 658 O ASP A 53 -8.250 -0.444 -10.383 1.00 0.00 O ATOM 659 CB ASP A 53 -8.888 -3.194 -11.199 1.00 0.00 C ATOM 660 CG ASP A 53 -9.749 -2.838 -12.415 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.751 -1.659 -12.842 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.495 -3.728 -12.889 1.00 0.00 O ATOM 0 H ASP A 53 -7.428 -3.165 -9.218 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.987 -2.881 -12.121 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.785 -4.278 -11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.411 -2.880 -10.295 1.00 0.00 H new ATOM 666 N PRO A 54 -6.715 -0.345 -12.051 1.00 0.00 N ATOM 667 CA PRO A 54 -6.506 1.103 -12.000 1.00 0.00 C ATOM 668 C PRO A 54 -7.731 1.907 -12.457 1.00 0.00 C ATOM 669 O PRO A 54 -7.667 3.132 -12.532 1.00 0.00 O ATOM 670 CB PRO A 54 -5.282 1.358 -12.889 1.00 0.00 C ATOM 671 CG PRO A 54 -5.408 0.270 -13.952 1.00 0.00 C ATOM 672 CD PRO A 54 -5.935 -0.914 -13.145 1.00 0.00 C ATOM 0 HA PRO A 54 -6.345 1.439 -10.976 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.300 2.356 -13.327 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.350 1.272 -12.330 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.095 0.557 -14.748 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.450 0.048 -14.422 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.551 -1.565 -13.765 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.114 -1.521 -12.763 1.00 0.00 H new ATOM 677 N LYS A 55 -8.838 1.224 -12.771 1.00 0.00 N ATOM 678 CA LYS A 55 -10.067 1.818 -13.317 1.00 0.00 C ATOM 679 C LYS A 55 -11.253 1.596 -12.370 1.00 0.00 C ATOM 680 O LYS A 55 -12.148 2.436 -12.268 1.00 0.00 O ATOM 681 CB LYS A 55 -10.373 1.209 -14.699 1.00 0.00 C ATOM 682 CG LYS A 55 -9.203 1.175 -15.702 1.00 0.00 C ATOM 683 CD LYS A 55 -8.509 2.520 -15.978 1.00 0.00 C ATOM 684 CE LYS A 55 -9.460 3.646 -16.390 1.00 0.00 C ATOM 685 NZ LYS A 55 -10.176 3.328 -17.643 1.00 0.00 N ATOM 0 H LYS A 55 -8.907 0.214 -12.649 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.912 2.892 -13.422 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.729 0.189 -14.553 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.192 1.771 -15.147 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.455 0.472 -15.334 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.573 0.779 -16.648 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.968 2.827 -15.083 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.769 2.379 -16.766 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.182 3.822 -15.593 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.896 4.570 -16.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.810 4.114 -17.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.488 3.185 -18.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.734 2.460 -17.513 1.00 0.00 H new ATOM 695 N GLN A 56 -11.244 0.485 -11.629 1.00 0.00 N ATOM 696 CA GLN A 56 -12.115 0.297 -10.471 1.00 0.00 C ATOM 697 C GLN A 56 -11.590 1.056 -9.244 1.00 0.00 C ATOM 698 O GLN A 56 -12.406 1.634 -8.530 1.00 0.00 O ATOM 699 CB GLN A 56 -12.296 -1.197 -10.169 1.00 0.00 C ATOM 700 CG GLN A 56 -13.071 -1.913 -11.287 1.00 0.00 C ATOM 701 CD GLN A 56 -13.483 -3.318 -10.865 1.00 0.00 C ATOM 702 OE1 GLN A 56 -14.485 -3.498 -10.185 1.00 0.00 O ATOM 703 NE2 GLN A 56 -12.742 -4.348 -11.205 1.00 0.00 N ATOM 0 H GLN A 56 -10.631 -0.309 -11.817 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.092 0.714 -10.713 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.319 -1.665 -10.046 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.827 -1.316 -9.224 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.958 -1.334 -11.546 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.453 -1.967 -12.183 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.905 -4.209 -11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.004 -5.286 -10.903 1.00 0.00 H new ATOM 710 N VAL A 57 -10.271 1.140 -9.012 1.00 0.00 N ATOM 711 CA VAL A 57 -9.696 1.878 -7.862 1.00 0.00 C ATOM 712 C VAL A 57 -8.412 2.627 -8.235 1.00 0.00 C ATOM 713 O VAL A 57 -7.884 2.479 -9.334 1.00 0.00 O ATOM 714 CB VAL A 57 -9.449 0.985 -6.614 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.746 0.377 -6.059 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.428 -0.139 -6.872 1.00 0.00 C ATOM 0 H VAL A 57 -9.570 0.702 -9.610 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.458 2.609 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.032 1.661 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.516 -0.237 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.428 1.177 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.215 -0.240 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.298 -0.728 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.790 -0.783 -7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.472 0.297 -7.161 1.00 0.00 H new ATOM 726 N SER A 58 -7.908 3.437 -7.308 1.00 0.00 N ATOM 727 CA SER A 58 -6.696 4.250 -7.447 1.00 0.00 C ATOM 728 C SER A 58 -5.912 4.275 -6.121 1.00 0.00 C ATOM 729 O SER A 58 -6.292 3.589 -5.163 1.00 0.00 O ATOM 730 CB SER A 58 -7.109 5.669 -7.877 1.00 0.00 C ATOM 731 OG SER A 58 -7.891 6.312 -6.889 1.00 0.00 O ATOM 0 H SER A 58 -8.351 3.552 -6.397 1.00 0.00 H new ATOM 0 HA SER A 58 -6.040 3.821 -8.204 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.217 6.262 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.672 5.617 -8.809 1.00 0.00 H new ATOM 0 HG SER A 58 -8.133 7.211 -7.197 1.00 0.00 H new ATOM 736 N GLU A 59 -4.859 5.100 -6.014 1.00 0.00 N ATOM 737 CA GLU A 59 -4.125 5.288 -4.751 1.00 0.00 C ATOM 738 C GLU A 59 -5.049 5.612 -3.559 1.00 0.00 C ATOM 739 O GLU A 59 -4.745 5.214 -2.438 1.00 0.00 O ATOM 740 CB GLU A 59 -2.996 6.336 -4.870 1.00 0.00 C ATOM 741 CG GLU A 59 -3.436 7.763 -5.244 1.00 0.00 C ATOM 742 CD GLU A 59 -2.519 8.825 -4.628 1.00 0.00 C ATOM 743 OE1 GLU A 59 -2.816 9.289 -3.504 1.00 0.00 O ATOM 744 OE2 GLU A 59 -1.526 9.253 -5.270 1.00 0.00 O ATOM 0 H GLU A 59 -4.494 5.651 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.660 4.324 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.465 6.378 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.283 5.989 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.437 7.870 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.459 7.927 -4.906 1.00 0.00 H new ATOM 749 N ILE A 60 -6.212 6.237 -3.795 1.00 0.00 N ATOM 750 CA ILE A 60 -7.270 6.518 -2.806 1.00 0.00 C ATOM 751 C ILE A 60 -7.603 5.307 -1.921 1.00 0.00 C ATOM 752 O ILE A 60 -7.785 5.470 -0.709 1.00 0.00 O ATOM 753 CB ILE A 60 -8.519 7.029 -3.575 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.298 8.503 -3.985 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.826 6.828 -2.791 1.00 0.00 C ATOM 756 CD1 ILE A 60 -9.361 9.054 -4.945 1.00 0.00 C ATOM 0 H ILE A 60 -6.455 6.578 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.913 7.281 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.637 6.427 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.281 9.120 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.318 8.595 -4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.664 7.204 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.971 5.766 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.772 7.371 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.133 10.093 -5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.364 8.464 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -10.342 8.997 -4.473 1.00 0.00 H new ATOM 767 N THR A 61 -7.684 4.106 -2.506 1.00 0.00 N ATOM 768 CA THR A 61 -8.059 2.877 -1.789 1.00 0.00 C ATOM 769 C THR A 61 -7.025 2.496 -0.735 1.00 0.00 C ATOM 770 O THR A 61 -7.402 2.125 0.373 1.00 0.00 O ATOM 771 CB THR A 61 -8.339 1.769 -2.811 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.641 2.003 -3.288 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.327 0.352 -2.240 1.00 0.00 C ATOM 0 H THR A 61 -7.490 3.957 -3.496 1.00 0.00 H new ATOM 0 HA THR A 61 -8.976 3.045 -1.224 1.00 0.00 H new ATOM 0 HB THR A 61 -7.551 1.810 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.054 1.151 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.535 -0.363 -3.036 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.348 0.141 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.090 0.265 -1.466 1.00 0.00 H new ATOM 781 N ILE A 62 -5.730 2.621 -1.034 1.00 0.00 N ATOM 782 CA ILE A 62 -4.644 2.245 -0.105 1.00 0.00 C ATOM 783 C ILE A 62 -4.154 3.428 0.756 1.00 0.00 C ATOM 784 O ILE A 62 -3.718 3.226 1.893 1.00 0.00 O ATOM 785 CB ILE A 62 -3.554 1.491 -0.905 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.765 0.537 0.015 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.656 2.437 -1.715 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.707 -0.309 -0.712 1.00 0.00 C ATOM 0 H ILE A 62 -5.397 2.986 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.014 1.555 0.654 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.054 0.873 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.274 1.123 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.467 -0.131 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.910 1.856 -2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.264 2.997 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.155 3.131 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.198 -0.952 0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.191 -0.924 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.980 0.349 -1.189 1.00 0.00 H new ATOM 799 N GLN A 63 -4.332 4.661 0.268 1.00 0.00 N ATOM 800 CA GLN A 63 -4.118 5.927 0.978 1.00 0.00 C ATOM 801 C GLN A 63 -4.845 5.932 2.324 1.00 0.00 C ATOM 802 O GLN A 63 -4.206 6.098 3.362 1.00 0.00 O ATOM 803 CB GLN A 63 -4.623 7.081 0.082 1.00 0.00 C ATOM 804 CG GLN A 63 -4.372 8.488 0.639 1.00 0.00 C ATOM 805 CD GLN A 63 -5.123 9.555 -0.160 1.00 0.00 C ATOM 806 OE1 GLN A 63 -6.009 10.232 0.354 1.00 0.00 O ATOM 807 NE2 GLN A 63 -4.833 9.765 -1.426 1.00 0.00 N ATOM 0 H GLN A 63 -4.648 4.810 -0.690 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.055 6.054 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.143 7.001 -0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.694 6.955 -0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.685 8.527 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.304 8.702 0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.101 9.217 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.340 10.475 -1.954 1.00 0.00 H new ATOM 814 N GLU A 64 -6.162 5.700 2.311 1.00 0.00 N ATOM 815 CA GLU A 64 -7.019 5.761 3.501 1.00 0.00 C ATOM 816 C GLU A 64 -6.818 4.587 4.482 1.00 0.00 C ATOM 817 O GLU A 64 -7.494 4.530 5.517 1.00 0.00 O ATOM 818 CB GLU A 64 -8.490 5.921 3.080 1.00 0.00 C ATOM 819 CG GLU A 64 -8.718 7.273 2.388 1.00 0.00 C ATOM 820 CD GLU A 64 -10.200 7.590 2.225 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.880 7.826 3.254 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.695 7.588 1.074 1.00 0.00 O ATOM 0 H GLU A 64 -6.671 5.461 1.460 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.714 6.641 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.770 5.111 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.134 5.843 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.240 8.062 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.240 7.264 1.409 1.00 0.00 H new ATOM 827 N ARG A 65 -5.857 3.693 4.200 1.00 0.00 N ATOM 828 CA ARG A 65 -5.269 2.780 5.183 1.00 0.00 C ATOM 829 C ARG A 65 -3.888 3.276 5.632 1.00 0.00 C ATOM 830 O ARG A 65 -3.675 3.459 6.827 1.00 0.00 O ATOM 831 CB ARG A 65 -5.217 1.342 4.626 1.00 0.00 C ATOM 832 CG ARG A 65 -5.495 0.260 5.688 1.00 0.00 C ATOM 833 CD ARG A 65 -4.627 0.338 6.954 1.00 0.00 C ATOM 834 NE ARG A 65 -5.075 -0.573 8.018 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.047 -0.319 8.890 1.00 0.00 C ATOM 836 NH1 ARG A 65 -6.874 0.700 8.772 1.00 0.00 N ATOM 837 NH2 ARG A 65 -6.219 -1.092 9.934 1.00 0.00 N ATOM 0 H ARG A 65 -5.463 3.586 3.265 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.906 2.763 6.068 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.946 1.246 3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.234 1.166 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.543 0.325 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.352 -0.719 5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.595 0.104 6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.637 1.361 7.331 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.602 -1.473 8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.786 1.340 7.983 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.603 0.849 9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.606 -1.894 10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.966 -0.892 10.599 1.00 0.00 H new ATOM 848 N ILE A 66 -2.934 3.502 4.723 1.00 0.00 N ATOM 849 CA ILE A 66 -1.535 3.802 5.112 1.00 0.00 C ATOM 850 C ILE A 66 -1.429 5.133 5.871 1.00 0.00 C ATOM 851 O ILE A 66 -0.748 5.190 6.893 1.00 0.00 O ATOM 852 CB ILE A 66 -0.587 3.757 3.892 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.606 2.384 3.179 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.858 4.057 4.345 1.00 0.00 C ATOM 855 CD1 ILE A 66 -0.165 2.498 1.716 1.00 0.00 C ATOM 0 H ILE A 66 -3.095 3.485 3.716 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.213 3.019 5.799 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.939 4.510 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.052 1.692 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.611 1.964 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.524 4.024 3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.899 5.048 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.173 3.311 5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.192 1.513 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.839 3.169 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.850 2.893 1.672 1.00 0.00 H new ATOM 866 N ALA A 67 -2.150 6.171 5.439 1.00 0.00 N ATOM 867 CA ALA A 67 -2.194 7.449 6.149 1.00 0.00 C ATOM 868 C ALA A 67 -2.928 7.344 7.505 1.00 0.00 C ATOM 869 O ALA A 67 -2.615 8.088 8.436 1.00 0.00 O ATOM 870 CB ALA A 67 -2.864 8.479 5.233 1.00 0.00 C ATOM 0 H ALA A 67 -2.717 6.148 4.591 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.177 7.760 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.909 9.443 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.286 8.579 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.874 8.149 4.992 1.00 0.00 H new ATOM 876 N ALA A 68 -3.889 6.417 7.628 1.00 0.00 N ATOM 877 CA ALA A 68 -4.694 6.200 8.834 1.00 0.00 C ATOM 878 C ALA A 68 -3.948 5.425 9.939 1.00 0.00 C ATOM 879 O ALA A 68 -4.217 5.654 11.117 1.00 0.00 O ATOM 880 CB ALA A 68 -5.995 5.497 8.427 1.00 0.00 C ATOM 0 H ALA A 68 -4.133 5.781 6.869 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.914 7.171 9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.609 5.326 9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.541 6.123 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.761 4.541 7.958 1.00 0.00 H new ATOM 886 N LEU A 69 -2.969 4.586 9.576 1.00 0.00 N ATOM 887 CA LEU A 69 -1.953 4.020 10.490 1.00 0.00 C ATOM 888 C LEU A 69 -0.988 5.088 11.067 1.00 0.00 C ATOM 889 O LEU A 69 -0.101 4.751 11.855 1.00 0.00 O ATOM 890 CB LEU A 69 -1.169 2.931 9.735 1.00 0.00 C ATOM 891 CG LEU A 69 -2.004 1.689 9.356 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.141 0.787 8.470 1.00 0.00 C ATOM 893 CD2 LEU A 69 -2.487 0.893 10.579 1.00 0.00 C ATOM 0 H LEU A 69 -2.854 4.270 8.613 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.472 3.595 11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.753 3.365 8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.328 2.614 10.351 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.897 2.031 8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.710 -0.099 8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.849 1.331 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.248 0.486 9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.068 0.033 10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.626 0.550 11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.110 1.531 11.206 1.00 0.00 H new ATOM 904 N GLY A 70 -1.109 6.359 10.653 1.00 0.00 N ATOM 905 CA GLY A 70 -0.235 7.479 11.042 1.00 0.00 C ATOM 906 C GLY A 70 1.003 7.633 10.154 1.00 0.00 C ATOM 907 O GLY A 70 1.742 8.611 10.283 1.00 0.00 O ATOM 0 H GLY A 70 -1.848 6.647 10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.810 8.404 11.011 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.085 7.337 12.074 1.00 0.00 H new ATOM 911 N TYR A 71 1.234 6.686 9.243 1.00 0.00 N ATOM 912 CA TYR A 71 2.358 6.673 8.306 1.00 0.00 C ATOM 913 C TYR A 71 2.076 7.505 7.039 1.00 0.00 C ATOM 914 O TYR A 71 1.105 8.267 6.980 1.00 0.00 O ATOM 915 CB TYR A 71 2.728 5.203 8.034 1.00 0.00 C ATOM 916 CG TYR A 71 3.201 4.446 9.269 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.196 4.995 10.104 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.648 3.190 9.588 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.640 4.302 11.244 1.00 0.00 C ATOM 920 CE2 TYR A 71 3.088 2.488 10.728 1.00 0.00 C ATOM 921 CZ TYR A 71 4.097 3.038 11.554 1.00 0.00 C ATOM 922 OH TYR A 71 4.528 2.374 12.660 1.00 0.00 O ATOM 0 H TYR A 71 0.621 5.878 9.134 1.00 0.00 H new ATOM 0 HA TYR A 71 3.225 7.168 8.743 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.861 4.692 7.617 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.512 5.170 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.622 5.958 9.865 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.883 2.763 8.956 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.396 4.737 11.881 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.655 1.529 10.972 1.00 0.00 H new ATOM 0 HH TYR A 71 4.218 1.445 12.625 1.00 0.00 H new ATOM 931 N THR A 72 2.960 7.434 6.040 1.00 0.00 N ATOM 932 CA THR A 72 2.941 8.296 4.844 1.00 0.00 C ATOM 933 C THR A 72 3.285 7.487 3.597 1.00 0.00 C ATOM 934 O THR A 72 3.909 6.436 3.721 1.00 0.00 O ATOM 935 CB THR A 72 3.922 9.471 5.015 1.00 0.00 C ATOM 936 OG1 THR A 72 5.165 8.994 5.479 1.00 0.00 O ATOM 937 CG2 THR A 72 3.432 10.514 6.017 1.00 0.00 C ATOM 0 H THR A 72 3.728 6.762 6.035 1.00 0.00 H new ATOM 0 HA THR A 72 1.936 8.700 4.724 1.00 0.00 H new ATOM 0 HB THR A 72 4.007 9.940 4.035 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.785 9.745 5.584 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.165 11.317 6.094 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.480 10.924 5.680 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.301 10.047 6.993 1.00 0.00 H new ATOM 945 N LEU A 73 2.879 7.958 2.411 1.00 0.00 N ATOM 946 CA LEU A 73 2.946 7.185 1.158 1.00 0.00 C ATOM 947 C LEU A 73 3.239 8.025 -0.098 1.00 0.00 C ATOM 948 O LEU A 73 2.978 9.235 -0.138 1.00 0.00 O ATOM 949 CB LEU A 73 1.655 6.349 0.977 1.00 0.00 C ATOM 950 CG LEU A 73 0.355 7.139 0.683 1.00 0.00 C ATOM 951 CD1 LEU A 73 -0.604 6.275 -0.147 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.365 7.590 1.965 1.00 0.00 C ATOM 0 H LEU A 73 2.491 8.894 2.290 1.00 0.00 H new ATOM 0 HA LEU A 73 3.806 6.523 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.817 5.643 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.500 5.761 1.882 1.00 0.00 H new ATOM 0 HG LEU A 73 0.646 8.032 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.516 6.836 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.127 6.004 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.851 5.370 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.269 8.139 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.632 6.716 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.295 8.235 2.545 1.00 0.00 H new ATOM 963 N ALA A 74 3.709 7.351 -1.155 1.00 0.00 N ATOM 964 CA ALA A 74 3.971 7.916 -2.480 1.00 0.00 C ATOM 965 C ALA A 74 4.008 6.851 -3.595 1.00 0.00 C ATOM 966 O ALA A 74 4.692 5.830 -3.486 1.00 0.00 O ATOM 967 CB ALA A 74 5.296 8.689 -2.431 1.00 0.00 C ATOM 0 H ALA A 74 3.925 6.355 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 74 3.146 8.583 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.505 9.116 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.223 9.490 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.103 8.011 -2.151 1.00 0.00 H new ATOM 973 N GLU A 75 3.309 7.134 -4.695 1.00 0.00 N ATOM 974 CA GLU A 75 3.331 6.389 -5.957 1.00 0.00 C ATOM 975 C GLU A 75 3.273 7.445 -7.087 1.00 0.00 C ATOM 976 O GLU A 75 2.297 8.206 -7.133 1.00 0.00 O ATOM 977 CB GLU A 75 2.146 5.399 -5.944 1.00 0.00 C ATOM 978 CG GLU A 75 2.212 4.215 -6.917 1.00 0.00 C ATOM 979 CD GLU A 75 1.676 4.536 -8.313 1.00 0.00 C ATOM 980 OE1 GLU A 75 2.373 5.215 -9.097 1.00 0.00 O ATOM 981 OE2 GLU A 75 0.566 4.071 -8.662 1.00 0.00 O ATOM 0 H GLU A 75 2.677 7.934 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 75 4.228 5.788 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.049 5.001 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.235 5.959 -6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.247 3.883 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.644 3.383 -6.502 1.00 0.00 H new ATOM 986 N PRO A 76 4.329 7.614 -7.915 1.00 0.00 N ATOM 987 CA PRO A 76 4.464 8.745 -8.841 1.00 0.00 C ATOM 988 C PRO A 76 3.680 8.558 -10.148 1.00 0.00 C ATOM 989 O PRO A 76 4.125 7.819 -11.056 1.00 0.00 O ATOM 990 CB PRO A 76 5.974 8.922 -9.050 1.00 0.00 C ATOM 991 CG PRO A 76 6.522 7.506 -8.885 1.00 0.00 C ATOM 992 CD PRO A 76 5.595 6.892 -7.833 1.00 0.00 C ATOM 0 HA PRO A 76 4.020 9.650 -8.426 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.198 9.327 -10.037 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.403 9.607 -8.319 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.491 6.951 -9.822 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.560 7.512 -8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.447 5.829 -8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.028 6.982 -6.837 1.00 0.00 H new