USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=19 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 22 CYS SG : rot 180:sc= 0.664 USER MOD Set 1.2: A 71 TYR OH : rot -88:sc= 0.757 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -175:sc= 0.97 (180deg=0) USER MOD Set 2.2: A 56 GLN : amide:sc= 0.85 K(o=1.8,f=-2) USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 8 LYS NZ :NH3+ -143:sc= 1.28 (180deg=0) USER MOD Set 4.2: A 10 GLN : amide:sc= 2.13 K(o=3.4,f=-6.6!) USER MOD Set 4.3: A 52 TYR OH : rot 180:sc= 0.0347 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -137:sc= 0 (180deg=-0.137) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 17 MET CE :methyl -121:sc= -0.0169 (180deg=-0.0656) 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 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 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0135) USER MOD Single : A 58 SER OG : rot 119:sc= 1.2 USER MOD Single : A 61 THR OG1 : rot -140:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0303 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -6.557 -5.521 -14.133 1.00 0.00 N ATOM 14 CA LEU A 7 -5.666 -5.343 -12.988 1.00 0.00 C ATOM 15 C LEU A 7 -4.188 -5.249 -13.407 1.00 0.00 C ATOM 16 O LEU A 7 -3.772 -5.855 -14.398 1.00 0.00 O ATOM 17 CB LEU A 7 -5.936 -6.434 -11.932 1.00 0.00 C ATOM 18 CG LEU A 7 -5.458 -7.869 -12.262 1.00 0.00 C ATOM 19 CD1 LEU A 7 -5.748 -8.770 -11.056 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.121 -8.491 -13.501 1.00 0.00 C ATOM 0 HA LEU A 7 -5.886 -4.382 -12.524 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.463 -6.126 -10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.010 -6.469 -11.749 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.393 -7.794 -12.484 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.417 -9.786 -11.273 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.215 -8.393 -10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.819 -8.773 -10.853 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.728 -9.495 -13.658 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.199 -8.543 -13.349 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.907 -7.876 -14.375 1.00 0.00 H new ATOM 31 N LYS A 8 -3.392 -4.496 -12.645 1.00 0.00 N ATOM 32 CA LYS A 8 -2.003 -4.134 -12.982 1.00 0.00 C ATOM 33 C LYS A 8 -1.159 -3.824 -11.731 1.00 0.00 C ATOM 34 O LYS A 8 -1.698 -3.322 -10.737 1.00 0.00 O ATOM 35 CB LYS A 8 -1.996 -2.990 -14.027 1.00 0.00 C ATOM 36 CG LYS A 8 -2.868 -1.751 -13.725 1.00 0.00 C ATOM 37 CD LYS A 8 -2.180 -0.670 -12.881 1.00 0.00 C ATOM 38 CE LYS A 8 -3.211 0.387 -12.470 1.00 0.00 C ATOM 39 NZ LYS A 8 -2.570 1.547 -11.813 1.00 0.00 N ATOM 0 H LYS A 8 -3.698 -4.108 -11.753 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.518 -4.997 -13.438 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.966 -2.655 -14.154 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.317 -3.404 -14.983 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.184 -1.308 -14.669 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.770 -2.077 -13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.728 -1.117 -11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.374 -0.206 -13.450 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.758 0.724 -13.350 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.940 -0.059 -11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.181 1.893 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.651 1.259 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.426 2.305 -12.510 1.00 0.00 H new ATOM 49 N THR A 9 0.142 -4.151 -11.770 1.00 0.00 N ATOM 50 CA THR A 9 1.094 -4.008 -10.648 1.00 0.00 C ATOM 51 C THR A 9 1.759 -2.631 -10.599 1.00 0.00 C ATOM 52 O THR A 9 1.728 -1.891 -11.583 1.00 0.00 O ATOM 53 CB THR A 9 2.125 -5.144 -10.679 1.00 0.00 C ATOM 54 OG1 THR A 9 2.692 -5.261 -9.396 1.00 0.00 O ATOM 55 CG2 THR A 9 3.248 -4.920 -11.692 1.00 0.00 C ATOM 0 H THR A 9 0.578 -4.535 -12.608 1.00 0.00 H new ATOM 0 HA THR A 9 0.522 -4.086 -9.724 1.00 0.00 H new ATOM 0 HB THR A 9 1.600 -6.050 -10.982 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.353 -5.984 -9.395 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.940 -5.761 -11.660 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.824 -4.837 -12.693 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.782 -4.002 -11.447 1.00 0.00 H new ATOM 63 N GLN A 10 2.386 -2.315 -9.462 1.00 0.00 N ATOM 64 CA GLN A 10 3.203 -1.129 -9.195 1.00 0.00 C ATOM 65 C GLN A 10 3.840 -1.231 -7.798 1.00 0.00 C ATOM 66 O GLN A 10 3.339 -1.953 -6.925 1.00 0.00 O ATOM 67 CB GLN A 10 2.440 0.204 -9.375 1.00 0.00 C ATOM 68 CG GLN A 10 1.158 0.372 -8.536 1.00 0.00 C ATOM 69 CD GLN A 10 -0.093 -0.117 -9.264 1.00 0.00 C ATOM 70 OE1 GLN A 10 -0.649 0.549 -10.122 1.00 0.00 O ATOM 71 NE2 GLN A 10 -0.594 -1.294 -8.968 1.00 0.00 N ATOM 0 H GLN A 10 2.332 -2.925 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 10 3.991 -1.112 -9.948 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.118 1.022 -9.133 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.177 0.309 -10.428 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.267 -0.177 -7.601 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.034 1.423 -8.276 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.150 -1.873 -8.255 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.427 -1.630 -9.451 1.00 0.00 H new ATOM 78 N GLN A 11 4.932 -0.487 -7.590 1.00 0.00 N ATOM 79 CA GLN A 11 5.628 -0.348 -6.308 1.00 0.00 C ATOM 80 C GLN A 11 5.604 1.095 -5.777 1.00 0.00 C ATOM 81 O GLN A 11 5.327 2.038 -6.520 1.00 0.00 O ATOM 82 CB GLN A 11 7.088 -0.819 -6.453 1.00 0.00 C ATOM 83 CG GLN A 11 7.225 -2.334 -6.678 1.00 0.00 C ATOM 84 CD GLN A 11 7.567 -2.703 -8.118 1.00 0.00 C ATOM 85 OE1 GLN A 11 6.741 -3.191 -8.883 1.00 0.00 O ATOM 86 NE2 GLN A 11 8.789 -2.497 -8.558 1.00 0.00 N ATOM 0 H GLN A 11 5.370 0.053 -8.336 1.00 0.00 H new ATOM 0 HA GLN A 11 5.099 -0.970 -5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.550 -0.293 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.642 -0.542 -5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.999 -2.724 -6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.291 -2.822 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.492 -2.092 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.034 -2.742 -9.518 1.00 0.00 H new ATOM 93 N MET A 12 5.944 1.269 -4.494 1.00 0.00 N ATOM 94 CA MET A 12 6.093 2.573 -3.830 1.00 0.00 C ATOM 95 C MET A 12 7.041 2.506 -2.624 1.00 0.00 C ATOM 96 O MET A 12 7.090 1.496 -1.919 1.00 0.00 O ATOM 97 CB MET A 12 4.715 3.121 -3.409 1.00 0.00 C ATOM 98 CG MET A 12 4.046 2.289 -2.304 1.00 0.00 C ATOM 99 SD MET A 12 2.333 2.742 -1.937 1.00 0.00 S ATOM 100 CE MET A 12 1.512 1.924 -3.330 1.00 0.00 C ATOM 0 H MET A 12 6.129 0.484 -3.869 1.00 0.00 H new ATOM 0 HA MET A 12 6.542 3.256 -4.551 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.830 4.148 -3.063 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.061 3.150 -4.280 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.074 1.239 -2.593 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.635 2.384 -1.392 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.753 2.587 -3.746 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.248 1.688 -4.099 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.040 1.004 -2.985 1.00 0.00 H new ATOM 108 N GLN A 13 7.746 3.603 -2.347 1.00 0.00 N ATOM 109 CA GLN A 13 8.483 3.819 -1.101 1.00 0.00 C ATOM 110 C GLN A 13 7.556 4.490 -0.068 1.00 0.00 C ATOM 111 O GLN A 13 6.765 5.370 -0.413 1.00 0.00 O ATOM 112 CB GLN A 13 9.715 4.704 -1.364 1.00 0.00 C ATOM 113 CG GLN A 13 10.737 4.128 -2.368 1.00 0.00 C ATOM 114 CD GLN A 13 11.470 2.883 -1.876 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.283 1.777 -2.376 1.00 0.00 O ATOM 116 NE2 GLN A 13 12.338 3.031 -0.901 1.00 0.00 N ATOM 0 H GLN A 13 7.823 4.385 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 13 8.822 2.860 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.375 5.672 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.223 4.883 -0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.220 3.887 -3.297 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.471 4.898 -2.603 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.490 3.952 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.860 2.225 -0.556 1.00 0.00 H new ATOM 123 N VAL A 14 7.670 4.119 1.209 1.00 0.00 N ATOM 124 CA VAL A 14 6.752 4.507 2.297 1.00 0.00 C ATOM 125 C VAL A 14 7.541 4.888 3.561 1.00 0.00 C ATOM 126 O VAL A 14 8.562 4.280 3.884 1.00 0.00 O ATOM 127 CB VAL A 14 5.715 3.377 2.538 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.168 3.293 3.972 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.526 3.516 1.574 1.00 0.00 C ATOM 0 H VAL A 14 8.429 3.519 1.532 1.00 0.00 H new ATOM 0 HA VAL A 14 6.192 5.397 2.010 1.00 0.00 H new ATOM 0 HB VAL A 14 6.271 2.457 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.452 2.474 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.990 3.115 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.674 4.230 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.811 2.714 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.040 4.479 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.882 3.453 0.546 1.00 0.00 H new ATOM 139 N GLY A 15 7.072 5.933 4.252 1.00 0.00 N ATOM 140 CA GLY A 15 7.749 6.578 5.383 1.00 0.00 C ATOM 141 C GLY A 15 7.024 6.345 6.707 1.00 0.00 C ATOM 142 O GLY A 15 5.909 6.838 6.902 1.00 0.00 O ATOM 0 H GLY A 15 6.177 6.369 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.768 6.197 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.822 7.649 5.196 1.00 0.00 H new ATOM 146 N GLY A 16 7.685 5.641 7.631 1.00 0.00 N ATOM 147 CA GLY A 16 7.184 5.304 8.968 1.00 0.00 C ATOM 148 C GLY A 16 6.598 3.896 9.109 1.00 0.00 C ATOM 149 O GLY A 16 5.974 3.620 10.130 1.00 0.00 O ATOM 0 H GLY A 16 8.622 5.275 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.000 5.414 9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.418 6.028 9.245 1.00 0.00 H new ATOM 153 N MET A 17 6.764 3.007 8.121 1.00 0.00 N ATOM 154 CA MET A 17 6.152 1.664 8.108 1.00 0.00 C ATOM 155 C MET A 17 7.166 0.503 8.100 1.00 0.00 C ATOM 156 O MET A 17 6.750 -0.654 8.045 1.00 0.00 O ATOM 157 CB MET A 17 5.180 1.578 6.920 1.00 0.00 C ATOM 158 CG MET A 17 4.019 0.610 7.169 1.00 0.00 C ATOM 159 SD MET A 17 2.773 0.604 5.859 1.00 0.00 S ATOM 160 CE MET A 17 3.667 -0.321 4.588 1.00 0.00 C ATOM 0 H MET A 17 7.333 3.199 7.297 1.00 0.00 H new ATOM 0 HA MET A 17 5.614 1.541 9.048 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.781 2.570 6.711 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.727 1.261 6.032 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.418 -0.398 7.282 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.539 0.870 8.112 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.761 0.291 3.691 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.660 -0.579 4.957 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.120 -1.233 4.349 1.00 0.00 H new ATOM 219 N CYS A 22 3.575 -2.747 11.948 1.00 0.00 N ATOM 220 CA CYS A 22 2.889 -1.855 11.009 1.00 0.00 C ATOM 221 C CYS A 22 2.539 -2.548 9.688 1.00 0.00 C ATOM 222 O CYS A 22 1.408 -2.430 9.207 1.00 0.00 O ATOM 223 CB CYS A 22 3.770 -0.612 10.780 1.00 0.00 C ATOM 224 SG CYS A 22 4.282 0.141 12.354 1.00 0.00 S ATOM 0 HA CYS A 22 1.935 -1.556 11.444 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.653 -0.891 10.205 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.222 0.120 10.187 1.00 0.00 H new ATOM 0 HG CYS A 22 5.023 1.182 12.116 1.00 0.00 H new ATOM 229 N ALA A 23 3.468 -3.347 9.153 1.00 0.00 N ATOM 230 CA ALA A 23 3.190 -4.273 8.057 1.00 0.00 C ATOM 231 C ALA A 23 1.999 -5.191 8.382 1.00 0.00 C ATOM 232 O ALA A 23 1.172 -5.451 7.514 1.00 0.00 O ATOM 233 CB ALA A 23 4.464 -5.079 7.779 1.00 0.00 C ATOM 0 H ALA A 23 4.437 -3.368 9.471 1.00 0.00 H new ATOM 0 HA ALA A 23 2.907 -3.714 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.281 -5.779 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.271 -4.400 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.747 -5.632 8.675 1.00 0.00 H new ATOM 239 N SER A 24 1.845 -5.600 9.646 1.00 0.00 N ATOM 240 CA SER A 24 0.767 -6.516 10.052 1.00 0.00 C ATOM 241 C SER A 24 -0.613 -5.828 10.057 1.00 0.00 C ATOM 242 O SER A 24 -1.639 -6.497 9.915 1.00 0.00 O ATOM 243 CB SER A 24 1.062 -7.139 11.431 1.00 0.00 C ATOM 244 OG SER A 24 2.289 -7.863 11.452 1.00 0.00 O ATOM 0 H SER A 24 2.455 -5.311 10.411 1.00 0.00 H new ATOM 0 HA SER A 24 0.732 -7.311 9.308 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.097 -6.350 12.182 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.245 -7.806 11.707 1.00 0.00 H new ATOM 0 HG SER A 24 2.433 -8.237 12.346 1.00 0.00 H new ATOM 249 N SER A 25 -0.657 -4.498 10.182 1.00 0.00 N ATOM 250 CA SER A 25 -1.876 -3.676 10.145 1.00 0.00 C ATOM 251 C SER A 25 -2.317 -3.393 8.710 1.00 0.00 C ATOM 252 O SER A 25 -3.501 -3.514 8.391 1.00 0.00 O ATOM 253 CB SER A 25 -1.670 -2.334 10.878 1.00 0.00 C ATOM 254 OG SER A 25 -0.897 -2.513 12.049 1.00 0.00 O ATOM 0 H SER A 25 0.187 -3.941 10.317 1.00 0.00 H new ATOM 0 HA SER A 25 -2.653 -4.248 10.652 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.174 -1.625 10.215 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.638 -1.905 11.138 1.00 0.00 H new ATOM 0 HG SER A 25 -0.777 -1.650 12.497 1.00 0.00 H new ATOM 259 N ILE A 26 -1.372 -3.050 7.825 1.00 0.00 N ATOM 260 CA ILE A 26 -1.667 -2.859 6.398 1.00 0.00 C ATOM 261 C ILE A 26 -2.003 -4.204 5.743 1.00 0.00 C ATOM 262 O ILE A 26 -3.054 -4.304 5.116 1.00 0.00 O ATOM 263 CB ILE A 26 -0.527 -2.077 5.688 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.678 -0.543 5.825 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.444 -2.377 4.175 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.481 0.016 7.238 1.00 0.00 C ATOM 0 H ILE A 26 -0.394 -2.899 8.073 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.554 -2.234 6.290 1.00 0.00 H new ATOM 0 HB ILE A 26 0.377 -2.419 6.193 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.041 -0.064 5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.672 -0.261 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.370 -1.802 3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.260 -3.441 4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.384 -2.100 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.608 1.098 7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.217 -0.426 7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.522 -0.226 7.588 1.00 0.00 H new ATOM 277 N GLU A 27 -1.176 -5.245 5.897 1.00 0.00 N ATOM 278 CA GLU A 27 -1.338 -6.480 5.115 1.00 0.00 C ATOM 279 C GLU A 27 -2.593 -7.276 5.507 1.00 0.00 C ATOM 280 O GLU A 27 -3.166 -7.939 4.637 1.00 0.00 O ATOM 281 CB GLU A 27 -0.079 -7.370 5.165 1.00 0.00 C ATOM 282 CG GLU A 27 1.108 -6.742 4.412 1.00 0.00 C ATOM 283 CD GLU A 27 2.295 -7.699 4.273 1.00 0.00 C ATOM 284 OE1 GLU A 27 2.744 -8.285 5.282 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.800 -7.901 3.142 1.00 0.00 O ATOM 0 H GLU A 27 -0.393 -5.259 6.550 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.476 -6.159 4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.202 -7.541 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.307 -8.344 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.780 -6.431 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.431 -5.843 4.937 1.00 0.00 H new ATOM 290 N ARG A 28 -3.073 -7.180 6.760 1.00 0.00 N ATOM 291 CA ARG A 28 -4.347 -7.807 7.161 1.00 0.00 C ATOM 292 C ARG A 28 -5.565 -7.090 6.547 1.00 0.00 C ATOM 293 O ARG A 28 -6.538 -7.741 6.176 1.00 0.00 O ATOM 294 CB ARG A 28 -4.456 -7.864 8.698 1.00 0.00 C ATOM 295 CG ARG A 28 -5.569 -8.801 9.213 1.00 0.00 C ATOM 296 CD ARG A 28 -5.174 -10.283 9.122 1.00 0.00 C ATOM 297 NE ARG A 28 -6.302 -11.197 9.380 1.00 0.00 N ATOM 298 CZ ARG A 28 -6.777 -11.592 10.556 1.00 0.00 C ATOM 299 NH1 ARG A 28 -6.309 -11.157 11.702 1.00 0.00 N ATOM 300 NH2 ARG A 28 -7.768 -12.455 10.606 1.00 0.00 N ATOM 0 H ARG A 28 -2.600 -6.676 7.510 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.350 -8.825 6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.501 -8.192 9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.637 -6.858 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.800 -8.552 10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.478 -8.634 8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.769 -10.485 8.130 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.378 -10.486 9.839 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.774 -11.571 8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.544 -10.483 11.717 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.710 -11.493 12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.171 -12.820 9.743 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.134 -12.760 11.508 1.00 0.00 H new ATOM 311 N ALA A 29 -5.511 -5.763 6.384 1.00 0.00 N ATOM 312 CA ALA A 29 -6.578 -4.985 5.748 1.00 0.00 C ATOM 313 C ALA A 29 -6.528 -5.051 4.211 1.00 0.00 C ATOM 314 O ALA A 29 -7.566 -5.085 3.554 1.00 0.00 O ATOM 315 CB ALA A 29 -6.463 -3.540 6.242 1.00 0.00 C ATOM 0 H ALA A 29 -4.721 -5.196 6.692 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.541 -5.412 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.246 -2.936 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.573 -3.516 7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.488 -3.138 5.968 1.00 0.00 H new ATOM 321 N LEU A 30 -5.331 -5.097 3.621 1.00 0.00 N ATOM 322 CA LEU A 30 -5.114 -5.026 2.170 1.00 0.00 C ATOM 323 C LEU A 30 -5.592 -6.282 1.410 1.00 0.00 C ATOM 324 O LEU A 30 -5.833 -6.207 0.205 1.00 0.00 O ATOM 325 CB LEU A 30 -3.623 -4.684 1.970 1.00 0.00 C ATOM 326 CG LEU A 30 -3.156 -4.354 0.540 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.972 -3.218 -0.095 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.681 -3.930 0.602 1.00 0.00 C ATOM 0 H LEU A 30 -4.464 -5.187 4.150 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.733 -4.247 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.385 -3.832 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.033 -5.527 2.331 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.296 -5.242 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.603 -3.024 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.022 -3.507 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.871 -2.316 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.329 -3.691 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.581 -3.052 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.085 -4.746 1.011 1.00 0.00 H new ATOM 339 N GLU A 31 -5.830 -7.401 2.103 1.00 0.00 N ATOM 340 CA GLU A 31 -6.527 -8.584 1.569 1.00 0.00 C ATOM 341 C GLU A 31 -8.063 -8.476 1.648 1.00 0.00 C ATOM 342 O GLU A 31 -8.765 -9.347 1.126 1.00 0.00 O ATOM 343 CB GLU A 31 -6.052 -9.867 2.279 1.00 0.00 C ATOM 344 CG GLU A 31 -6.267 -9.842 3.798 1.00 0.00 C ATOM 345 CD GLU A 31 -6.131 -11.228 4.411 1.00 0.00 C ATOM 346 OE1 GLU A 31 -4.984 -11.692 4.605 1.00 0.00 O ATOM 347 OE2 GLU A 31 -7.167 -11.887 4.675 1.00 0.00 O ATOM 0 H GLU A 31 -5.538 -7.515 3.074 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.267 -8.633 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.582 -10.722 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.992 -10.016 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.542 -9.169 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.257 -9.443 4.018 1.00 0.00 H new ATOM 352 N ARG A 32 -8.592 -7.431 2.300 1.00 0.00 N ATOM 353 CA ARG A 32 -10.028 -7.165 2.445 1.00 0.00 C ATOM 354 C ARG A 32 -10.489 -6.025 1.527 1.00 0.00 C ATOM 355 O ARG A 32 -11.537 -6.182 0.897 1.00 0.00 O ATOM 356 CB ARG A 32 -10.372 -6.865 3.916 1.00 0.00 C ATOM 357 CG ARG A 32 -10.149 -8.092 4.816 1.00 0.00 C ATOM 358 CD ARG A 32 -10.093 -7.696 6.293 1.00 0.00 C ATOM 359 NE ARG A 32 -9.826 -8.863 7.149 1.00 0.00 N ATOM 360 CZ ARG A 32 -9.424 -8.819 8.413 1.00 0.00 C ATOM 361 NH1 ARG A 32 -9.156 -7.687 9.027 1.00 0.00 N ATOM 362 NH2 ARG A 32 -9.290 -9.935 9.092 1.00 0.00 N ATOM 0 H ARG A 32 -8.013 -6.726 2.755 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.567 -8.062 2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.758 -6.037 4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.412 -6.545 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.954 -8.811 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.220 -8.588 4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.315 -6.947 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.037 -7.237 6.585 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.962 -9.785 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.255 -6.802 8.530 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.849 -7.695 10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.495 -10.830 8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.981 -9.907 10.064 1.00 0.00 H new ATOM 373 N LEU A 33 -9.712 -4.935 1.379 1.00 0.00 N ATOM 374 CA LEU A 33 -10.020 -3.805 0.474 1.00 0.00 C ATOM 375 C LEU A 33 -10.421 -4.299 -0.928 1.00 0.00 C ATOM 376 O LEU A 33 -9.780 -5.207 -1.468 1.00 0.00 O ATOM 377 CB LEU A 33 -8.815 -2.842 0.331 1.00 0.00 C ATOM 378 CG LEU A 33 -8.179 -2.264 1.613 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.080 -1.255 1.249 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.182 -1.585 2.549 1.00 0.00 C ATOM 0 H LEU A 33 -8.839 -4.810 1.891 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.857 -3.272 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.034 -3.367 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.132 -2.003 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.765 -3.118 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.638 -0.853 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.309 -1.753 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.512 -0.441 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.660 -1.204 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.665 -0.759 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.936 -2.308 2.860 1.00 0.00 H new ATOM 391 N LYS A 34 -11.464 -3.720 -1.532 1.00 0.00 N ATOM 392 CA LYS A 34 -11.913 -4.131 -2.872 1.00 0.00 C ATOM 393 C LYS A 34 -10.885 -3.822 -3.984 1.00 0.00 C ATOM 394 O LYS A 34 -9.945 -3.048 -3.792 1.00 0.00 O ATOM 395 CB LYS A 34 -13.306 -3.550 -3.172 1.00 0.00 C ATOM 396 CG LYS A 34 -13.317 -2.044 -3.494 1.00 0.00 C ATOM 397 CD LYS A 34 -14.597 -1.677 -4.250 1.00 0.00 C ATOM 398 CE LYS A 34 -14.586 -0.205 -4.677 1.00 0.00 C ATOM 399 NZ LYS A 34 -15.751 0.105 -5.536 1.00 0.00 N ATOM 0 H LYS A 34 -12.014 -2.967 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.995 -5.218 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.737 -4.091 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.953 -3.729 -2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.252 -1.467 -2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.444 -1.786 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.698 -2.313 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.464 -1.868 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.600 0.434 -3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.664 0.015 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.677 1.083 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.769 -0.548 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.627 -0.002 -4.985 1.00 0.00 H new ATOM 409 N GLY A 35 -11.041 -4.422 -5.171 1.00 0.00 N ATOM 410 CA GLY A 35 -10.271 -4.104 -6.391 1.00 0.00 C ATOM 411 C GLY A 35 -8.811 -4.583 -6.399 1.00 0.00 C ATOM 412 O GLY A 35 -8.316 -4.976 -7.453 1.00 0.00 O ATOM 0 H GLY A 35 -11.725 -5.164 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.783 -4.543 -7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.281 -3.023 -6.534 1.00 0.00 H new ATOM 416 N VAL A 36 -8.139 -4.564 -5.246 1.00 0.00 N ATOM 417 CA VAL A 36 -6.813 -5.159 -4.996 1.00 0.00 C ATOM 418 C VAL A 36 -6.872 -6.687 -5.146 1.00 0.00 C ATOM 419 O VAL A 36 -7.825 -7.315 -4.684 1.00 0.00 O ATOM 420 CB VAL A 36 -6.289 -4.784 -3.585 1.00 0.00 C ATOM 421 CG1 VAL A 36 -4.932 -5.434 -3.254 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.154 -3.261 -3.421 1.00 0.00 C ATOM 0 H VAL A 36 -8.520 -4.111 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.122 -4.756 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.035 -5.170 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.619 -5.133 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.029 -6.519 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.187 -5.110 -3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.785 -3.034 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.454 -2.876 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.128 -2.792 -3.563 1.00 0.00 H new ATOM 432 N ALA A 37 -5.846 -7.274 -5.774 1.00 0.00 N ATOM 433 CA ALA A 37 -5.737 -8.717 -6.032 1.00 0.00 C ATOM 434 C ALA A 37 -4.478 -9.389 -5.449 1.00 0.00 C ATOM 435 O ALA A 37 -4.510 -10.595 -5.190 1.00 0.00 O ATOM 436 CB ALA A 37 -5.751 -8.911 -7.549 1.00 0.00 C ATOM 0 H ALA A 37 -5.048 -6.746 -6.126 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.577 -9.197 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.672 -9.973 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.683 -8.519 -7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.909 -8.379 -7.992 1.00 0.00 H new ATOM 442 N GLU A 38 -3.378 -8.653 -5.256 1.00 0.00 N ATOM 443 CA GLU A 38 -2.121 -9.170 -4.696 1.00 0.00 C ATOM 444 C GLU A 38 -1.240 -8.024 -4.196 1.00 0.00 C ATOM 445 O GLU A 38 -1.108 -7.026 -4.896 1.00 0.00 O ATOM 446 CB GLU A 38 -1.363 -10.047 -5.715 1.00 0.00 C ATOM 447 CG GLU A 38 -0.099 -10.682 -5.114 1.00 0.00 C ATOM 448 CD GLU A 38 0.479 -11.784 -6.000 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.658 -11.554 -7.215 1.00 0.00 O ATOM 450 OE2 GLU A 38 0.744 -12.902 -5.489 1.00 0.00 O ATOM 0 H GLU A 38 -3.334 -7.661 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.373 -9.804 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.025 -10.834 -6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.087 -9.441 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.655 -9.910 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.335 -11.095 -4.133 1.00 0.00 H new ATOM 455 N ALA A 39 -0.595 -8.168 -3.035 1.00 0.00 N ATOM 456 CA ALA A 39 0.282 -7.144 -2.459 1.00 0.00 C ATOM 457 C ALA A 39 1.309 -7.722 -1.474 1.00 0.00 C ATOM 458 O ALA A 39 1.123 -8.828 -0.956 1.00 0.00 O ATOM 459 CB ALA A 39 -0.592 -6.091 -1.769 1.00 0.00 C ATOM 0 H ALA A 39 -0.668 -9.009 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 39 0.860 -6.696 -3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.043 -5.320 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.263 -5.639 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.179 -6.564 -0.982 1.00 0.00 H new ATOM 465 N SER A 40 2.353 -6.958 -1.154 1.00 0.00 N ATOM 466 CA SER A 40 3.430 -7.374 -0.238 1.00 0.00 C ATOM 467 C SER A 40 4.234 -6.188 0.339 1.00 0.00 C ATOM 468 O SER A 40 4.816 -5.397 -0.411 1.00 0.00 O ATOM 469 CB SER A 40 4.367 -8.385 -0.931 1.00 0.00 C ATOM 470 OG SER A 40 4.706 -8.022 -2.264 1.00 0.00 O ATOM 0 H SER A 40 2.482 -6.017 -1.526 1.00 0.00 H new ATOM 0 HA SER A 40 2.946 -7.855 0.612 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.281 -8.482 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.889 -9.365 -0.940 1.00 0.00 H new ATOM 0 HG SER A 40 5.301 -8.700 -2.646 1.00 0.00 H new ATOM 475 N VAL A 41 4.292 -6.071 1.675 1.00 0.00 N ATOM 476 CA VAL A 41 5.125 -5.089 2.404 1.00 0.00 C ATOM 477 C VAL A 41 6.501 -5.697 2.697 1.00 0.00 C ATOM 478 O VAL A 41 6.588 -6.739 3.352 1.00 0.00 O ATOM 479 CB VAL A 41 4.483 -4.634 3.742 1.00 0.00 C ATOM 480 CG1 VAL A 41 5.400 -3.667 4.517 1.00 0.00 C ATOM 481 CG2 VAL A 41 3.132 -3.932 3.520 1.00 0.00 C ATOM 0 H VAL A 41 3.749 -6.669 2.298 1.00 0.00 H new ATOM 0 HA VAL A 41 5.215 -4.212 1.763 1.00 0.00 H new ATOM 0 HB VAL A 41 4.333 -5.545 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.914 -3.372 5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.344 -4.163 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.590 -2.782 3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.717 -3.630 4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.278 -3.051 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.443 -4.617 3.026 1.00 0.00 H new ATOM 491 N THR A 42 7.567 -5.015 2.259 1.00 0.00 N ATOM 492 CA THR A 42 8.969 -5.414 2.460 1.00 0.00 C ATOM 493 C THR A 42 9.501 -4.714 3.708 1.00 0.00 C ATOM 494 O THR A 42 9.821 -3.527 3.676 1.00 0.00 O ATOM 495 CB THR A 42 9.808 -5.055 1.227 1.00 0.00 C ATOM 496 OG1 THR A 42 9.100 -5.369 0.050 1.00 0.00 O ATOM 497 CG2 THR A 42 11.130 -5.820 1.208 1.00 0.00 C ATOM 0 H THR A 42 7.476 -4.143 1.738 1.00 0.00 H new ATOM 0 HA THR A 42 9.033 -6.493 2.598 1.00 0.00 H new ATOM 0 HB THR A 42 10.013 -3.986 1.276 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.643 -5.134 -0.731 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.699 -5.541 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.706 -5.574 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.930 -6.891 1.189 1.00 0.00 H new ATOM 505 N VAL A 43 9.565 -5.431 4.828 1.00 0.00 N ATOM 506 CA VAL A 43 9.667 -4.832 6.176 1.00 0.00 C ATOM 507 C VAL A 43 10.998 -4.100 6.420 1.00 0.00 C ATOM 508 O VAL A 43 11.010 -3.100 7.136 1.00 0.00 O ATOM 509 CB VAL A 43 9.408 -5.892 7.275 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.529 -5.326 8.702 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.986 -6.462 7.122 1.00 0.00 C ATOM 0 H VAL A 43 9.548 -6.451 4.836 1.00 0.00 H new ATOM 0 HA VAL A 43 8.888 -4.072 6.230 1.00 0.00 H new ATOM 0 HB VAL A 43 10.171 -6.659 7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.336 -6.118 9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.534 -4.933 8.854 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.802 -4.525 8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.807 -7.207 7.897 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.259 -5.656 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.884 -6.927 6.141 1.00 0.00 H new ATOM 521 N ALA A 44 12.101 -4.544 5.797 1.00 0.00 N ATOM 522 CA ALA A 44 13.435 -3.949 5.956 1.00 0.00 C ATOM 523 C ALA A 44 13.469 -2.431 5.705 1.00 0.00 C ATOM 524 O ALA A 44 14.131 -1.711 6.456 1.00 0.00 O ATOM 525 CB ALA A 44 14.410 -4.686 5.027 1.00 0.00 C ATOM 0 H ALA A 44 12.089 -5.339 5.159 1.00 0.00 H new ATOM 0 HA ALA A 44 13.733 -4.069 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.407 -4.257 5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.439 -5.742 5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.077 -4.582 3.994 1.00 0.00 H new ATOM 531 N THR A 45 12.734 -1.950 4.694 1.00 0.00 N ATOM 532 CA THR A 45 12.671 -0.536 4.271 1.00 0.00 C ATOM 533 C THR A 45 11.246 0.020 4.214 1.00 0.00 C ATOM 534 O THR A 45 11.071 1.209 3.936 1.00 0.00 O ATOM 535 CB THR A 45 13.394 -0.364 2.927 1.00 0.00 C ATOM 536 OG1 THR A 45 12.953 -1.355 2.027 1.00 0.00 O ATOM 537 CG2 THR A 45 14.907 -0.515 3.110 1.00 0.00 C ATOM 0 H THR A 45 12.143 -2.554 4.123 1.00 0.00 H new ATOM 0 HA THR A 45 13.180 0.052 5.035 1.00 0.00 H new ATOM 0 HB THR A 45 13.172 0.630 2.540 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.413 -1.245 1.168 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.404 -0.390 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.267 0.243 3.805 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.128 -1.506 3.507 1.00 0.00 H new ATOM 545 N GLY A 46 10.233 -0.803 4.513 1.00 0.00 N ATOM 546 CA GLY A 46 8.817 -0.424 4.622 1.00 0.00 C ATOM 547 C GLY A 46 8.112 -0.249 3.276 1.00 0.00 C ATOM 548 O GLY A 46 6.961 0.178 3.249 1.00 0.00 O ATOM 0 H GLY A 46 10.384 -1.795 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.292 -1.185 5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.744 0.508 5.182 1.00 0.00 H new ATOM 552 N ARG A 47 8.801 -0.552 2.170 1.00 0.00 N ATOM 553 CA ARG A 47 8.341 -0.338 0.797 1.00 0.00 C ATOM 554 C ARG A 47 7.300 -1.381 0.371 1.00 0.00 C ATOM 555 O ARG A 47 7.180 -2.450 0.974 1.00 0.00 O ATOM 556 CB ARG A 47 9.547 -0.275 -0.157 1.00 0.00 C ATOM 557 CG ARG A 47 10.305 -1.604 -0.283 1.00 0.00 C ATOM 558 CD ARG A 47 11.497 -1.447 -1.233 1.00 0.00 C ATOM 559 NE ARG A 47 12.195 -2.725 -1.434 1.00 0.00 N ATOM 560 CZ ARG A 47 11.892 -3.659 -2.328 1.00 0.00 C ATOM 561 NH1 ARG A 47 10.855 -3.573 -3.133 1.00 0.00 N ATOM 562 NH2 ARG A 47 12.656 -4.719 -2.414 1.00 0.00 N ATOM 0 H ARG A 47 9.731 -0.969 2.211 1.00 0.00 H new ATOM 0 HA ARG A 47 7.828 0.623 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.202 0.031 -1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.236 0.494 0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.653 -1.927 0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.635 -2.379 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.151 -1.065 -2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.192 -0.711 -0.829 1.00 0.00 H new ATOM 0 HE ARG A 47 12.992 -2.913 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.240 -2.761 -3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.666 -4.319 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.466 -4.815 -1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.441 -5.449 -3.094 1.00 0.00 H new ATOM 573 N LEU A 48 6.535 -1.061 -0.672 1.00 0.00 N ATOM 574 CA LEU A 48 5.343 -1.805 -1.086 1.00 0.00 C ATOM 575 C LEU A 48 5.373 -2.206 -2.563 1.00 0.00 C ATOM 576 O LEU A 48 5.999 -1.539 -3.392 1.00 0.00 O ATOM 577 CB LEU A 48 4.103 -0.939 -0.773 1.00 0.00 C ATOM 578 CG LEU A 48 3.309 -1.443 0.441 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.338 -0.351 0.899 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.495 -2.700 0.087 1.00 0.00 C ATOM 0 H LEU A 48 6.731 -0.257 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 48 5.308 -2.741 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.420 0.088 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.450 -0.921 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 48 4.017 -1.689 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.772 -0.705 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.899 0.542 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.651 -0.112 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.943 -3.035 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.795 -2.466 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.170 -3.491 -0.240 1.00 0.00 H new ATOM 591 N THR A 49 4.613 -3.262 -2.861 1.00 0.00 N ATOM 592 CA THR A 49 4.237 -3.780 -4.187 1.00 0.00 C ATOM 593 C THR A 49 2.757 -4.121 -4.090 1.00 0.00 C ATOM 594 O THR A 49 2.335 -4.682 -3.078 1.00 0.00 O ATOM 595 CB THR A 49 5.043 -5.039 -4.537 1.00 0.00 C ATOM 596 OG1 THR A 49 6.421 -4.754 -4.451 1.00 0.00 O ATOM 597 CG2 THR A 49 4.764 -5.529 -5.961 1.00 0.00 C ATOM 0 H THR A 49 4.207 -3.830 -2.117 1.00 0.00 H new ATOM 0 HA THR A 49 4.441 -3.047 -4.967 1.00 0.00 H new ATOM 0 HB THR A 49 4.745 -5.813 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.936 -5.558 -4.673 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.357 -6.421 -6.162 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.705 -5.767 -6.063 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.031 -4.748 -6.673 1.00 0.00 H new ATOM 605 N VAL A 50 1.974 -3.767 -5.107 1.00 0.00 N ATOM 606 CA VAL A 50 0.510 -3.948 -5.112 1.00 0.00 C ATOM 607 C VAL A 50 -0.031 -4.099 -6.537 1.00 0.00 C ATOM 608 O VAL A 50 0.441 -3.417 -7.441 1.00 0.00 O ATOM 609 CB VAL A 50 -0.201 -2.805 -4.336 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.044 -1.408 -4.939 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.717 -3.036 -4.211 1.00 0.00 C ATOM 0 H VAL A 50 2.334 -3.342 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 50 0.288 -4.878 -4.589 1.00 0.00 H new ATOM 0 HB VAL A 50 0.251 -2.830 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.482 -0.659 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.112 -1.191 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.325 -1.385 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.167 -2.210 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.160 -3.093 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.900 -3.969 -3.678 1.00 0.00 H new ATOM 621 N THR A 51 -1.028 -4.977 -6.713 1.00 0.00 N ATOM 622 CA THR A 51 -1.793 -5.247 -7.940 1.00 0.00 C ATOM 623 C THR A 51 -3.259 -4.926 -7.677 1.00 0.00 C ATOM 624 O THR A 51 -3.840 -5.496 -6.755 1.00 0.00 O ATOM 625 CB THR A 51 -1.647 -6.724 -8.351 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.318 -6.945 -8.767 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.524 -7.075 -9.561 1.00 0.00 C ATOM 0 H THR A 51 -1.346 -5.563 -5.941 1.00 0.00 H new ATOM 0 HA THR A 51 -1.412 -4.627 -8.752 1.00 0.00 H new ATOM 0 HB THR A 51 -1.938 -7.328 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.209 -7.883 -9.030 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.389 -8.126 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.571 -6.892 -9.317 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.236 -6.456 -10.411 1.00 0.00 H new ATOM 635 N TYR A 52 -3.865 -4.074 -8.509 1.00 0.00 N ATOM 636 CA TYR A 52 -5.274 -3.651 -8.393 1.00 0.00 C ATOM 637 C TYR A 52 -5.911 -3.256 -9.743 1.00 0.00 C ATOM 638 O TYR A 52 -5.199 -2.984 -10.712 1.00 0.00 O ATOM 639 CB TYR A 52 -5.392 -2.508 -7.364 1.00 0.00 C ATOM 640 CG TYR A 52 -4.811 -1.164 -7.785 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.553 -0.310 -8.625 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.551 -0.746 -7.314 1.00 0.00 C ATOM 643 CE1 TYR A 52 -5.034 0.936 -9.015 1.00 0.00 C ATOM 644 CE2 TYR A 52 -3.040 0.521 -7.669 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.786 1.365 -8.520 1.00 0.00 C ATOM 646 OH TYR A 52 -3.328 2.596 -8.869 1.00 0.00 O ATOM 0 H TYR A 52 -3.384 -3.647 -9.301 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.841 -4.515 -8.045 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.447 -2.367 -7.128 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.898 -2.822 -6.444 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.529 -0.616 -8.972 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.972 -1.399 -6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.591 1.565 -9.694 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.081 0.844 -7.291 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.456 2.751 -8.450 1.00 0.00 H new ATOM 655 N ASP A 53 -7.250 -3.198 -9.810 1.00 0.00 N ATOM 656 CA ASP A 53 -8.023 -2.759 -10.975 1.00 0.00 C ATOM 657 C ASP A 53 -8.260 -1.232 -10.941 1.00 0.00 C ATOM 658 O ASP A 53 -8.893 -0.744 -9.993 1.00 0.00 O ATOM 659 CB ASP A 53 -9.359 -3.511 -11.008 1.00 0.00 C ATOM 660 CG ASP A 53 -10.253 -3.001 -12.138 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.990 -3.359 -13.308 1.00 0.00 O ATOM 662 OD2 ASP A 53 -11.184 -2.214 -11.853 1.00 0.00 O ATOM 0 H ASP A 53 -7.843 -3.466 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.458 -2.984 -11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.176 -4.577 -11.139 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.871 -3.390 -10.053 1.00 0.00 H new ATOM 666 N PRO A 54 -7.803 -0.479 -11.965 1.00 0.00 N ATOM 667 CA PRO A 54 -7.801 0.986 -11.981 1.00 0.00 C ATOM 668 C PRO A 54 -9.192 1.623 -12.157 1.00 0.00 C ATOM 669 O PRO A 54 -9.280 2.840 -12.344 1.00 0.00 O ATOM 670 CB PRO A 54 -6.843 1.362 -13.120 1.00 0.00 C ATOM 671 CG PRO A 54 -6.972 0.202 -14.100 1.00 0.00 C ATOM 672 CD PRO A 54 -7.156 -0.988 -13.168 1.00 0.00 C ATOM 0 HA PRO A 54 -7.480 1.376 -11.015 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.122 2.309 -13.582 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.819 1.472 -12.762 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.822 0.329 -14.771 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.085 0.096 -14.725 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.766 -1.759 -13.639 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.196 -1.444 -12.928 1.00 0.00 H new ATOM 677 N LYS A 55 -10.269 0.829 -12.108 1.00 0.00 N ATOM 678 CA LYS A 55 -11.653 1.284 -12.340 1.00 0.00 C ATOM 679 C LYS A 55 -12.532 1.061 -11.096 1.00 0.00 C ATOM 680 O LYS A 55 -13.285 1.954 -10.702 1.00 0.00 O ATOM 681 CB LYS A 55 -12.227 0.561 -13.575 1.00 0.00 C ATOM 682 CG LYS A 55 -11.470 0.841 -14.887 1.00 0.00 C ATOM 683 CD LYS A 55 -12.057 -0.018 -16.021 1.00 0.00 C ATOM 684 CE LYS A 55 -11.384 0.173 -17.389 1.00 0.00 C ATOM 685 NZ LYS A 55 -9.938 -0.147 -17.349 1.00 0.00 N ATOM 0 H LYS A 55 -10.206 -0.168 -11.902 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.647 2.357 -12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.220 -0.513 -13.388 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.269 0.855 -13.701 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.545 1.898 -15.143 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.410 0.618 -14.761 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.982 -1.068 -15.738 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.118 0.211 -16.119 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.875 -0.463 -18.126 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.518 1.204 -17.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.535 -0.053 -18.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.455 0.510 -16.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.807 -1.122 -17.012 1.00 0.00 H new ATOM 695 N GLN A 56 -12.371 -0.084 -10.421 1.00 0.00 N ATOM 696 CA GLN A 56 -12.907 -0.305 -9.074 1.00 0.00 C ATOM 697 C GLN A 56 -12.219 0.587 -8.036 1.00 0.00 C ATOM 698 O GLN A 56 -12.908 1.028 -7.123 1.00 0.00 O ATOM 699 CB GLN A 56 -12.749 -1.778 -8.655 1.00 0.00 C ATOM 700 CG GLN A 56 -13.831 -2.701 -9.235 1.00 0.00 C ATOM 701 CD GLN A 56 -15.227 -2.544 -8.612 1.00 0.00 C ATOM 702 OE1 GLN A 56 -15.463 -1.855 -7.620 1.00 0.00 O ATOM 703 NE2 GLN A 56 -16.206 -3.215 -9.168 1.00 0.00 N ATOM 0 H GLN A 56 -11.863 -0.885 -10.796 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.965 -0.047 -9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.770 -2.135 -8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.773 -1.842 -7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.906 -2.518 -10.307 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.509 -3.735 -9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -16.027 -3.791 -9.991 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.147 -3.161 -8.778 1.00 0.00 H new ATOM 710 N VAL A 57 -10.909 0.859 -8.152 1.00 0.00 N ATOM 711 CA VAL A 57 -10.142 1.690 -7.194 1.00 0.00 C ATOM 712 C VAL A 57 -8.949 2.386 -7.876 1.00 0.00 C ATOM 713 O VAL A 57 -8.687 2.175 -9.058 1.00 0.00 O ATOM 714 CB VAL A 57 -9.632 0.883 -5.965 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.758 0.262 -5.124 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.639 -0.231 -6.351 1.00 0.00 C ATOM 0 H VAL A 57 -10.340 0.506 -8.922 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.844 2.443 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.120 1.631 -5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.327 -0.285 -4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.408 1.051 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.339 -0.422 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.318 -0.759 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.124 -0.932 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.771 0.209 -6.843 1.00 0.00 H new ATOM 726 N SER A 58 -8.186 3.172 -7.115 1.00 0.00 N ATOM 727 CA SER A 58 -6.855 3.668 -7.481 1.00 0.00 C ATOM 728 C SER A 58 -5.928 3.724 -6.247 1.00 0.00 C ATOM 729 O SER A 58 -6.312 3.273 -5.164 1.00 0.00 O ATOM 730 CB SER A 58 -6.982 5.021 -8.203 1.00 0.00 C ATOM 731 OG SER A 58 -7.337 6.086 -7.332 1.00 0.00 O ATOM 0 H SER A 58 -8.487 3.493 -6.195 1.00 0.00 H new ATOM 0 HA SER A 58 -6.386 2.973 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.035 5.257 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.732 4.937 -8.990 1.00 0.00 H new ATOM 0 HG SER A 58 -6.628 6.762 -7.336 1.00 0.00 H new ATOM 736 N GLU A 59 -4.723 4.297 -6.379 1.00 0.00 N ATOM 737 CA GLU A 59 -3.776 4.549 -5.274 1.00 0.00 C ATOM 738 C GLU A 59 -4.420 5.166 -4.018 1.00 0.00 C ATOM 739 O GLU A 59 -4.037 4.816 -2.903 1.00 0.00 O ATOM 740 CB GLU A 59 -2.584 5.410 -5.747 1.00 0.00 C ATOM 741 CG GLU A 59 -2.852 6.459 -6.842 1.00 0.00 C ATOM 742 CD GLU A 59 -3.928 7.478 -6.490 1.00 0.00 C ATOM 743 OE1 GLU A 59 -3.601 8.544 -5.918 1.00 0.00 O ATOM 744 OE2 GLU A 59 -5.101 7.217 -6.849 1.00 0.00 O ATOM 0 H GLU A 59 -4.366 4.608 -7.282 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.416 3.564 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.178 5.928 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.807 4.737 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.924 6.989 -7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.143 5.944 -7.758 1.00 0.00 H new ATOM 749 N ILE A 60 -5.450 6.002 -4.180 1.00 0.00 N ATOM 750 CA ILE A 60 -6.317 6.525 -3.109 1.00 0.00 C ATOM 751 C ILE A 60 -6.693 5.452 -2.075 1.00 0.00 C ATOM 752 O ILE A 60 -6.602 5.711 -0.872 1.00 0.00 O ATOM 753 CB ILE A 60 -7.571 7.157 -3.770 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.288 8.573 -4.325 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.811 7.155 -2.858 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.037 9.667 -3.275 1.00 0.00 C ATOM 0 H ILE A 60 -5.718 6.351 -5.100 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.772 7.283 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.808 6.509 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.418 8.519 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.134 8.876 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.650 7.611 -3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.065 6.129 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.598 7.723 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.850 10.617 -3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.912 9.762 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.170 9.399 -2.670 1.00 0.00 H new ATOM 767 N THR A 61 -7.085 4.254 -2.526 1.00 0.00 N ATOM 768 CA THR A 61 -7.578 3.172 -1.660 1.00 0.00 C ATOM 769 C THR A 61 -6.513 2.673 -0.691 1.00 0.00 C ATOM 770 O THR A 61 -6.838 2.411 0.467 1.00 0.00 O ATOM 771 CB THR A 61 -8.158 2.056 -2.534 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.429 2.502 -2.940 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.364 0.724 -1.812 1.00 0.00 C ATOM 0 H THR A 61 -7.069 4.004 -3.515 1.00 0.00 H new ATOM 0 HA THR A 61 -8.374 3.561 -1.025 1.00 0.00 H new ATOM 0 HB THR A 61 -7.451 1.869 -3.342 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.061 1.754 -2.917 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.778 -0.007 -2.507 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.407 0.364 -1.433 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.054 0.864 -0.980 1.00 0.00 H new ATOM 781 N ILE A 62 -5.253 2.569 -1.121 1.00 0.00 N ATOM 782 CA ILE A 62 -4.140 2.182 -0.235 1.00 0.00 C ATOM 783 C ILE A 62 -3.541 3.395 0.492 1.00 0.00 C ATOM 784 O ILE A 62 -3.158 3.264 1.656 1.00 0.00 O ATOM 785 CB ILE A 62 -3.121 1.299 -0.998 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.233 0.536 0.007 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.303 2.086 -2.038 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.237 -0.441 -0.632 1.00 0.00 C ATOM 0 H ILE A 62 -4.972 2.748 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.521 1.555 0.571 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.681 0.568 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.679 1.260 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.875 -0.017 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.607 1.413 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.976 2.525 -2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.745 2.878 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.656 -0.931 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.781 -1.192 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.566 0.105 -1.294 1.00 0.00 H new ATOM 799 N GLN A 63 -3.559 4.586 -0.116 1.00 0.00 N ATOM 800 CA GLN A 63 -3.167 5.841 0.528 1.00 0.00 C ATOM 801 C GLN A 63 -3.970 6.073 1.810 1.00 0.00 C ATOM 802 O GLN A 63 -3.386 6.246 2.877 1.00 0.00 O ATOM 803 CB GLN A 63 -3.383 7.023 -0.435 1.00 0.00 C ATOM 804 CG GLN A 63 -2.686 8.298 0.076 1.00 0.00 C ATOM 805 CD GLN A 63 -3.594 9.524 0.103 1.00 0.00 C ATOM 806 OE1 GLN A 63 -3.986 10.027 1.152 1.00 0.00 O ATOM 807 NE2 GLN A 63 -3.935 10.066 -1.041 1.00 0.00 N ATOM 0 H GLN A 63 -3.852 4.705 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.110 5.771 0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.997 6.766 -1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.451 7.211 -0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.306 8.116 1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.824 8.509 -0.557 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.613 9.654 -1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.522 10.900 -1.055 1.00 0.00 H new ATOM 814 N GLU A 64 -5.301 6.014 1.715 1.00 0.00 N ATOM 815 CA GLU A 64 -6.219 6.245 2.833 1.00 0.00 C ATOM 816 C GLU A 64 -6.076 5.209 3.958 1.00 0.00 C ATOM 817 O GLU A 64 -6.484 5.496 5.085 1.00 0.00 O ATOM 818 CB GLU A 64 -7.662 6.251 2.298 1.00 0.00 C ATOM 819 CG GLU A 64 -7.984 7.479 1.435 1.00 0.00 C ATOM 820 CD GLU A 64 -8.382 8.691 2.271 1.00 0.00 C ATOM 821 OE1 GLU A 64 -7.632 9.104 3.184 1.00 0.00 O ATOM 822 OE2 GLU A 64 -9.467 9.260 2.011 1.00 0.00 O ATOM 0 H GLU A 64 -5.780 5.800 0.840 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.965 7.209 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.828 5.348 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.354 6.215 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.115 7.730 0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.794 7.234 0.747 1.00 0.00 H new ATOM 827 N ARG A 65 -5.482 4.040 3.674 1.00 0.00 N ATOM 828 CA ARG A 65 -5.113 3.023 4.665 1.00 0.00 C ATOM 829 C ARG A 65 -3.755 3.345 5.307 1.00 0.00 C ATOM 830 O ARG A 65 -3.654 3.344 6.531 1.00 0.00 O ATOM 831 CB ARG A 65 -5.129 1.640 3.982 1.00 0.00 C ATOM 832 CG ARG A 65 -4.760 0.443 4.878 1.00 0.00 C ATOM 833 CD ARG A 65 -5.547 0.299 6.189 1.00 0.00 C ATOM 834 NE ARG A 65 -7.003 0.377 5.966 1.00 0.00 N ATOM 835 CZ ARG A 65 -7.977 -0.135 6.704 1.00 0.00 C ATOM 836 NH1 ARG A 65 -7.766 -0.841 7.791 1.00 0.00 N ATOM 837 NH2 ARG A 65 -9.218 0.079 6.330 1.00 0.00 N ATOM 0 H ARG A 65 -5.239 3.770 2.721 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.837 3.016 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.125 1.470 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.438 1.665 3.139 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.893 -0.471 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.700 0.514 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.302 -0.654 6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.243 1.083 6.883 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.298 0.892 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.812 -1.020 8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.556 -1.211 8.320 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.411 0.627 5.491 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.989 -0.303 6.878 1.00 0.00 H new ATOM 848 N ILE A 66 -2.715 3.644 4.521 1.00 0.00 N ATOM 849 CA ILE A 66 -1.364 3.958 5.038 1.00 0.00 C ATOM 850 C ILE A 66 -1.379 5.244 5.884 1.00 0.00 C ATOM 851 O ILE A 66 -0.819 5.270 6.980 1.00 0.00 O ATOM 852 CB ILE A 66 -0.347 4.039 3.868 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.223 2.697 3.105 1.00 0.00 C ATOM 854 CG2 ILE A 66 1.054 4.427 4.387 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.261 2.886 1.660 1.00 0.00 C ATOM 0 H ILE A 66 -2.779 3.677 3.504 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.045 3.152 5.699 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.726 4.800 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.471 2.044 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.191 2.196 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.751 4.478 3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.004 5.399 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.398 3.678 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.331 1.915 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.445 3.516 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.242 3.362 1.664 1.00 0.00 H new ATOM 866 N ALA A 67 -2.062 6.289 5.409 1.00 0.00 N ATOM 867 CA ALA A 67 -2.127 7.590 6.072 1.00 0.00 C ATOM 868 C ALA A 67 -2.867 7.542 7.425 1.00 0.00 C ATOM 869 O ALA A 67 -2.457 8.218 8.371 1.00 0.00 O ATOM 870 CB ALA A 67 -2.797 8.578 5.106 1.00 0.00 C ATOM 0 H ALA A 67 -2.593 6.252 4.539 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.114 7.913 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.859 9.560 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.208 8.649 4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.800 8.227 4.864 1.00 0.00 H new ATOM 876 N ALA A 68 -3.933 6.734 7.538 1.00 0.00 N ATOM 877 CA ALA A 68 -4.784 6.648 8.730 1.00 0.00 C ATOM 878 C ALA A 68 -4.123 5.852 9.864 1.00 0.00 C ATOM 879 O ALA A 68 -4.239 6.223 11.037 1.00 0.00 O ATOM 880 CB ALA A 68 -6.115 6.005 8.320 1.00 0.00 C ATOM 0 H ALA A 68 -4.231 6.111 6.787 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.947 7.653 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.766 5.930 9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.596 6.619 7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.929 5.009 7.919 1.00 0.00 H new ATOM 886 N LEU A 69 -3.387 4.795 9.502 1.00 0.00 N ATOM 887 CA LEU A 69 -2.542 4.008 10.404 1.00 0.00 C ATOM 888 C LEU A 69 -1.362 4.837 10.951 1.00 0.00 C ATOM 889 O LEU A 69 -0.879 4.535 12.043 1.00 0.00 O ATOM 890 CB LEU A 69 -2.131 2.715 9.677 1.00 0.00 C ATOM 891 CG LEU A 69 -3.163 1.563 9.806 1.00 0.00 C ATOM 892 CD1 LEU A 69 -3.093 0.940 11.205 1.00 0.00 C ATOM 893 CD2 LEU A 69 -4.629 1.946 9.539 1.00 0.00 C ATOM 0 H LEU A 69 -3.363 4.454 8.541 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.097 3.722 11.298 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.980 2.937 8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.173 2.377 10.072 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.873 0.864 9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.822 0.133 11.281 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.093 0.542 11.376 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.314 1.701 11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.262 1.067 9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.939 2.714 10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.726 2.329 8.523 1.00 0.00 H new ATOM 904 N GLY A 70 -0.994 5.944 10.288 1.00 0.00 N ATOM 905 CA GLY A 70 -0.129 7.007 10.828 1.00 0.00 C ATOM 906 C GLY A 70 1.156 7.259 10.041 1.00 0.00 C ATOM 907 O GLY A 70 2.067 7.906 10.561 1.00 0.00 O ATOM 0 H GLY A 70 -1.299 6.131 9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.701 7.934 10.867 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.136 6.752 11.854 1.00 0.00 H new ATOM 911 N TYR A 71 1.253 6.738 8.815 1.00 0.00 N ATOM 912 CA TYR A 71 2.466 6.755 7.981 1.00 0.00 C ATOM 913 C TYR A 71 2.233 7.587 6.699 1.00 0.00 C ATOM 914 O TYR A 71 1.215 8.276 6.584 1.00 0.00 O ATOM 915 CB TYR A 71 2.874 5.290 7.702 1.00 0.00 C ATOM 916 CG TYR A 71 2.679 4.342 8.880 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.151 4.695 10.160 1.00 0.00 C ATOM 918 CD2 TYR A 71 1.925 3.161 8.721 1.00 0.00 C ATOM 919 CE1 TYR A 71 2.810 3.924 11.286 1.00 0.00 C ATOM 920 CE2 TYR A 71 1.608 2.364 9.839 1.00 0.00 C ATOM 921 CZ TYR A 71 2.017 2.767 11.129 1.00 0.00 C ATOM 922 OH TYR A 71 1.619 2.066 12.225 1.00 0.00 O ATOM 0 H TYR A 71 0.466 6.277 8.357 1.00 0.00 H new ATOM 0 HA TYR A 71 3.292 7.244 8.496 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.295 4.920 6.855 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.923 5.269 7.405 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.780 5.565 10.277 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.589 2.866 7.738 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.154 4.216 12.267 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.053 1.447 9.709 1.00 0.00 H new ATOM 0 HH TYR A 71 2.301 1.400 12.452 1.00 0.00 H new ATOM 931 N THR A 72 3.131 7.547 5.707 1.00 0.00 N ATOM 932 CA THR A 72 2.950 8.268 4.428 1.00 0.00 C ATOM 933 C THR A 72 3.656 7.553 3.274 1.00 0.00 C ATOM 934 O THR A 72 4.388 6.597 3.514 1.00 0.00 O ATOM 935 CB THR A 72 3.387 9.735 4.578 1.00 0.00 C ATOM 936 OG1 THR A 72 2.874 10.444 3.473 1.00 0.00 O ATOM 937 CG2 THR A 72 4.904 9.918 4.655 1.00 0.00 C ATOM 0 H THR A 72 4.002 7.018 5.761 1.00 0.00 H new ATOM 0 HA THR A 72 1.890 8.269 4.174 1.00 0.00 H new ATOM 0 HB THR A 72 2.996 10.112 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.134 11.386 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.138 10.977 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.293 9.373 5.515 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.364 9.534 3.744 1.00 0.00 H new ATOM 945 N LEU A 73 3.446 8.000 2.033 1.00 0.00 N ATOM 946 CA LEU A 73 3.876 7.321 0.802 1.00 0.00 C ATOM 947 C LEU A 73 4.460 8.265 -0.263 1.00 0.00 C ATOM 948 O LEU A 73 4.192 9.471 -0.272 1.00 0.00 O ATOM 949 CB LEU A 73 2.694 6.497 0.232 1.00 0.00 C ATOM 950 CG LEU A 73 1.655 7.264 -0.625 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.586 6.282 -1.126 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.966 8.419 0.118 1.00 0.00 C ATOM 0 H LEU A 73 2.955 8.875 1.848 1.00 0.00 H new ATOM 0 HA LEU A 73 4.698 6.659 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.104 5.689 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.169 6.033 1.067 1.00 0.00 H new ATOM 0 HG LEU A 73 2.207 7.710 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.147 6.818 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.058 5.508 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.087 5.822 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.254 8.906 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.440 8.029 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.715 9.142 0.440 1.00 0.00 H new ATOM 963 N ALA A 74 5.187 7.681 -1.216 1.00 0.00 N ATOM 964 CA ALA A 74 5.566 8.292 -2.488 1.00 0.00 C ATOM 965 C ALA A 74 5.373 7.265 -3.619 1.00 0.00 C ATOM 966 O ALA A 74 6.149 6.317 -3.736 1.00 0.00 O ATOM 967 CB ALA A 74 7.018 8.785 -2.387 1.00 0.00 C ATOM 0 H ALA A 74 5.542 6.730 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 74 4.936 9.152 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.313 9.243 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.098 9.520 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.674 7.942 -2.172 1.00 0.00 H new ATOM 973 N GLU A 75 4.337 7.446 -4.437 1.00 0.00 N ATOM 974 CA GLU A 75 3.969 6.567 -5.555 1.00 0.00 C ATOM 975 C GLU A 75 3.939 7.426 -6.844 1.00 0.00 C ATOM 976 O GLU A 75 2.901 8.018 -7.161 1.00 0.00 O ATOM 977 CB GLU A 75 2.642 5.864 -5.192 1.00 0.00 C ATOM 978 CG GLU A 75 2.216 4.724 -6.126 1.00 0.00 C ATOM 979 CD GLU A 75 1.582 5.200 -7.426 1.00 0.00 C ATOM 980 OE1 GLU A 75 0.410 5.645 -7.423 1.00 0.00 O ATOM 981 OE2 GLU A 75 2.216 5.079 -8.495 1.00 0.00 O ATOM 0 H GLU A 75 3.704 8.239 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 75 4.687 5.769 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.727 5.468 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.849 6.611 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.088 4.113 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.509 4.082 -5.601 1.00 0.00 H new ATOM 986 N PRO A 76 5.092 7.595 -7.530 1.00 0.00 N ATOM 987 CA PRO A 76 5.342 8.671 -8.505 1.00 0.00 C ATOM 988 C PRO A 76 4.856 8.400 -9.936 1.00 0.00 C ATOM 989 O PRO A 76 4.914 9.342 -10.762 1.00 0.00 O ATOM 990 CB PRO A 76 6.863 8.861 -8.476 1.00 0.00 C ATOM 991 CG PRO A 76 7.377 7.448 -8.220 1.00 0.00 C ATOM 992 CD PRO A 76 6.350 6.916 -7.227 1.00 0.00 C ATOM 0 HA PRO A 76 4.771 9.555 -8.221 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.238 9.263 -9.417 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.169 9.551 -7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.409 6.853 -9.133 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.385 7.449 -7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.241 5.836 -7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.662 7.115 -6.202 1.00 0.00 H new