USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 21 ASN : amide:sc= -4.61! C(o=-6.6!,f=-16!) USER MOD Set 1.2: A 23 LYS NZ :NH3+ 175:sc= -1.95! (180deg=-1.33!) USER MOD Single : A 4 TYR OH : rot -34:sc= 1.16 USER MOD Single : A 13 LYS NZ :NH3+ -149:sc= -0.416 (180deg=-1.46!) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00449 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.0031) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= -0.144 (180deg=-0.896) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -166:sc= 0 (180deg=-0.111) USER MOD Single : A 37 SER OG : rot -47:sc= 0.318 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0225 (180deg=-0.413) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -27:sc= 0.686 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 53 THR OG1 : rot 92:sc= 0.436 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00514 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 110:sc= 1.28 USER MOD Single : A 67 SER OG : rot 147:sc= -2 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -159:sc= -0.264 (180deg=-1.27) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD ----------------------------------------------------------------- ATOM 26 N VAL A 3 1.827 13.230 -0.991 1.00 0.00 N ATOM 27 CA VAL A 3 1.105 12.408 0.020 1.00 0.00 C ATOM 28 C VAL A 3 0.787 11.014 -0.536 1.00 0.00 C ATOM 29 O VAL A 3 0.372 10.150 0.207 1.00 0.00 O ATOM 30 CB VAL A 3 -0.216 13.122 0.398 1.00 0.00 C ATOM 31 CG1 VAL A 3 0.023 14.631 0.473 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.321 12.846 -0.637 1.00 0.00 C ATOM 0 HA VAL A 3 1.740 12.293 0.899 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.541 12.736 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.907 15.134 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.779 14.842 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.367 14.993 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.234 13.362 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.002 13.206 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.511 11.774 -0.689 1.00 0.00 H new ATOM 42 N TYR A 4 0.917 10.769 -1.822 1.00 0.00 N ATOM 43 CA TYR A 4 0.536 9.404 -2.316 1.00 0.00 C ATOM 44 C TYR A 4 1.607 8.383 -1.911 1.00 0.00 C ATOM 45 O TYR A 4 1.308 7.325 -1.395 1.00 0.00 O ATOM 46 CB TYR A 4 0.326 9.404 -3.835 1.00 0.00 C ATOM 47 CG TYR A 4 -1.084 9.821 -4.186 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.165 9.045 -3.759 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.308 10.965 -4.965 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.467 9.409 -4.107 1.00 0.00 C ATOM 51 CE2 TYR A 4 -2.612 11.326 -5.315 1.00 0.00 C ATOM 52 CZ TYR A 4 -3.693 10.548 -4.888 1.00 0.00 C ATOM 53 OH TYR A 4 -4.980 10.905 -5.234 1.00 0.00 O ATOM 0 H TYR A 4 1.256 11.425 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.410 9.121 -1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.038 10.083 -4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.525 8.409 -4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.993 8.163 -3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.474 11.567 -5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.302 8.810 -3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.785 12.207 -5.916 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.520 10.097 -5.362 1.00 0.00 H new ATOM 63 N CYS A 5 2.853 8.705 -2.129 1.00 0.00 N ATOM 64 CA CYS A 5 3.941 7.764 -1.743 1.00 0.00 C ATOM 65 C CYS A 5 3.790 7.423 -0.254 1.00 0.00 C ATOM 66 O CYS A 5 3.992 6.299 0.156 1.00 0.00 O ATOM 67 CB CYS A 5 5.308 8.415 -1.986 1.00 0.00 C ATOM 68 SG CYS A 5 5.629 8.493 -3.761 1.00 0.00 S ATOM 0 H CYS A 5 3.164 9.577 -2.557 1.00 0.00 H new ATOM 0 HA CYS A 5 3.873 6.857 -2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.327 9.417 -1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.090 7.841 -1.489 1.00 0.00 H new ATOM 73 N GLU A 6 3.449 8.386 0.555 1.00 0.00 N ATOM 74 CA GLU A 6 3.300 8.117 2.014 1.00 0.00 C ATOM 75 C GLU A 6 2.191 7.087 2.265 1.00 0.00 C ATOM 76 O GLU A 6 2.344 6.193 3.074 1.00 0.00 O ATOM 77 CB GLU A 6 2.964 9.428 2.733 1.00 0.00 C ATOM 78 CG GLU A 6 2.647 9.146 4.203 1.00 0.00 C ATOM 79 CD GLU A 6 2.680 10.455 4.995 1.00 0.00 C ATOM 80 OE1 GLU A 6 1.709 11.190 4.929 1.00 0.00 O ATOM 81 OE2 GLU A 6 3.678 10.700 5.655 1.00 0.00 O ATOM 0 H GLU A 6 3.267 9.348 0.270 1.00 0.00 H new ATOM 0 HA GLU A 6 4.236 7.712 2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.803 10.120 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.111 9.908 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.665 8.680 4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.371 8.442 4.613 1.00 0.00 H new ATOM 88 N VAL A 7 1.070 7.210 1.609 1.00 0.00 N ATOM 89 CA VAL A 7 -0.039 6.239 1.853 1.00 0.00 C ATOM 90 C VAL A 7 0.280 4.861 1.266 1.00 0.00 C ATOM 91 O VAL A 7 0.046 3.849 1.897 1.00 0.00 O ATOM 92 CB VAL A 7 -1.349 6.765 1.263 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.463 5.740 1.498 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.719 8.101 1.926 1.00 0.00 C ATOM 0 H VAL A 7 0.873 7.935 0.919 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.148 6.130 2.932 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.226 6.923 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.396 6.114 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.199 4.799 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.587 5.576 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.653 8.471 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.841 7.953 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.926 8.828 1.748 1.00 0.00 H new ATOM 104 N CYS A 8 0.801 4.792 0.068 1.00 0.00 N ATOM 105 CA CYS A 8 1.112 3.465 -0.534 1.00 0.00 C ATOM 106 C CYS A 8 2.102 2.715 0.343 1.00 0.00 C ATOM 107 O CYS A 8 2.060 1.505 0.439 1.00 0.00 O ATOM 108 CB CYS A 8 1.685 3.682 -1.932 1.00 0.00 C ATOM 109 SG CYS A 8 3.418 4.160 -1.866 1.00 0.00 S ATOM 0 H CYS A 8 1.024 5.597 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 8 0.204 2.866 -0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.581 2.767 -2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.112 4.455 -2.445 1.00 0.00 H new ATOM 114 N GLU A 9 2.976 3.411 1.011 1.00 0.00 N ATOM 115 CA GLU A 9 3.932 2.711 1.901 1.00 0.00 C ATOM 116 C GLU A 9 3.219 2.378 3.208 1.00 0.00 C ATOM 117 O GLU A 9 3.542 1.405 3.860 1.00 0.00 O ATOM 118 CB GLU A 9 5.124 3.626 2.201 1.00 0.00 C ATOM 119 CG GLU A 9 5.937 3.850 0.927 1.00 0.00 C ATOM 120 CD GLU A 9 7.065 4.844 1.209 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.932 4.517 2.004 1.00 0.00 O ATOM 122 OE2 GLU A 9 7.045 5.915 0.625 1.00 0.00 O ATOM 0 H GLU A 9 3.068 4.426 0.978 1.00 0.00 H new ATOM 0 HA GLU A 9 4.289 1.802 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.772 4.581 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.753 3.179 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.351 2.905 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.293 4.230 0.134 1.00 0.00 H new ATOM 129 N PHE A 10 2.237 3.151 3.603 1.00 0.00 N ATOM 130 CA PHE A 10 1.527 2.815 4.866 1.00 0.00 C ATOM 131 C PHE A 10 0.672 1.556 4.660 1.00 0.00 C ATOM 132 O PHE A 10 0.716 0.640 5.458 1.00 0.00 O ATOM 133 CB PHE A 10 0.626 3.971 5.299 1.00 0.00 C ATOM 134 CG PHE A 10 -0.057 3.570 6.582 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.641 3.647 7.792 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.372 3.097 6.558 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.021 3.254 8.983 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.994 2.699 7.749 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.297 2.778 8.962 1.00 0.00 C ATOM 0 H PHE A 10 1.905 3.982 3.114 1.00 0.00 H new ATOM 0 HA PHE A 10 2.270 2.635 5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.213 4.878 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.111 4.190 4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.658 4.010 7.807 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.908 3.038 5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.558 3.317 9.918 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.010 2.332 7.732 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.775 2.472 9.881 1.00 0.00 H new ATOM 149 N LEU A 11 -0.093 1.482 3.595 1.00 0.00 N ATOM 150 CA LEU A 11 -0.916 0.253 3.370 1.00 0.00 C ATOM 151 C LEU A 11 0.030 -0.938 3.226 1.00 0.00 C ATOM 152 O LEU A 11 -0.201 -1.989 3.790 1.00 0.00 O ATOM 153 CB LEU A 11 -1.763 0.366 2.087 1.00 0.00 C ATOM 154 CG LEU A 11 -2.664 1.611 2.133 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.190 1.914 0.726 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.859 1.367 3.063 1.00 0.00 C ATOM 0 H LEU A 11 -0.182 2.207 2.883 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.592 0.127 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.108 0.418 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.376 -0.528 1.971 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.079 2.452 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.829 2.797 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.351 2.098 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.765 1.063 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.489 2.256 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.439 0.521 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.499 1.151 4.069 1.00 0.00 H new ATOM 168 N VAL A 12 1.096 -0.797 2.482 1.00 0.00 N ATOM 169 CA VAL A 12 2.040 -1.930 2.317 1.00 0.00 C ATOM 170 C VAL A 12 2.600 -2.337 3.693 1.00 0.00 C ATOM 171 O VAL A 12 2.611 -3.497 4.047 1.00 0.00 O ATOM 172 CB VAL A 12 3.181 -1.473 1.391 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.392 -2.401 1.518 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.692 -1.489 -0.061 1.00 0.00 C ATOM 0 H VAL A 12 1.350 0.056 1.983 1.00 0.00 H new ATOM 0 HA VAL A 12 1.533 -2.791 1.881 1.00 0.00 H new ATOM 0 HB VAL A 12 3.478 -0.465 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.185 -2.057 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.751 -2.392 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.103 -3.416 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.498 -1.166 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.386 -2.500 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.844 -0.813 -0.167 1.00 0.00 H new ATOM 184 N LYS A 13 3.058 -1.384 4.470 1.00 0.00 N ATOM 185 CA LYS A 13 3.618 -1.704 5.823 1.00 0.00 C ATOM 186 C LYS A 13 2.555 -2.433 6.650 1.00 0.00 C ATOM 187 O LYS A 13 2.825 -3.408 7.326 1.00 0.00 O ATOM 188 CB LYS A 13 4.014 -0.391 6.516 1.00 0.00 C ATOM 189 CG LYS A 13 4.288 -0.630 8.010 1.00 0.00 C ATOM 190 CD LYS A 13 4.938 0.620 8.638 1.00 0.00 C ATOM 191 CE LYS A 13 6.458 0.594 8.434 1.00 0.00 C ATOM 192 NZ LYS A 13 7.020 -0.657 9.017 1.00 0.00 N ATOM 0 H LYS A 13 3.068 -0.394 4.224 1.00 0.00 H new ATOM 0 HA LYS A 13 4.495 -2.345 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.902 0.025 6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.217 0.343 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.356 -0.862 8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.944 -1.491 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.520 1.520 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.709 0.661 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.693 0.649 7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.913 1.464 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.985 -0.477 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.424 -0.969 9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.044 -1.399 8.289 1.00 0.00 H new ATOM 206 N GLU A 14 1.355 -1.936 6.616 1.00 0.00 N ATOM 207 CA GLU A 14 0.256 -2.548 7.414 1.00 0.00 C ATOM 208 C GLU A 14 -0.133 -3.898 6.804 1.00 0.00 C ATOM 209 O GLU A 14 -0.437 -4.837 7.514 1.00 0.00 O ATOM 210 CB GLU A 14 -0.949 -1.576 7.406 1.00 0.00 C ATOM 211 CG GLU A 14 -1.420 -1.284 8.839 1.00 0.00 C ATOM 212 CD GLU A 14 -0.311 -0.558 9.603 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.293 0.333 9.027 1.00 0.00 O ATOM 214 OE2 GLU A 14 -0.083 -0.905 10.749 1.00 0.00 O ATOM 0 H GLU A 14 1.083 -1.123 6.064 1.00 0.00 H new ATOM 0 HA GLU A 14 0.578 -2.720 8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.669 -0.645 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.767 -2.008 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.322 -0.673 8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.676 -2.214 9.346 1.00 0.00 H new ATOM 221 N VAL A 15 -0.144 -4.009 5.512 1.00 0.00 N ATOM 222 CA VAL A 15 -0.536 -5.306 4.906 1.00 0.00 C ATOM 223 C VAL A 15 0.515 -6.379 5.220 1.00 0.00 C ATOM 224 O VAL A 15 0.176 -7.500 5.518 1.00 0.00 O ATOM 225 CB VAL A 15 -0.704 -5.144 3.383 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.667 -6.519 2.704 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.051 -4.476 3.087 1.00 0.00 C ATOM 0 H VAL A 15 0.098 -3.268 4.854 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.488 -5.623 5.332 1.00 0.00 H new ATOM 0 HB VAL A 15 0.109 -4.528 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.786 -6.397 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.288 -7.001 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.477 -7.138 3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.171 -4.361 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.858 -5.096 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.083 -3.496 3.563 1.00 0.00 H new ATOM 237 N THR A 16 1.783 -6.086 5.126 1.00 0.00 N ATOM 238 CA THR A 16 2.756 -7.178 5.394 1.00 0.00 C ATOM 239 C THR A 16 2.624 -7.661 6.833 1.00 0.00 C ATOM 240 O THR A 16 2.719 -8.843 7.097 1.00 0.00 O ATOM 241 CB THR A 16 4.205 -6.767 5.141 1.00 0.00 C ATOM 242 OG1 THR A 16 4.736 -6.166 6.313 1.00 0.00 O ATOM 243 CG2 THR A 16 4.319 -5.786 3.966 1.00 0.00 C ATOM 0 H THR A 16 2.175 -5.176 4.885 1.00 0.00 H new ATOM 0 HA THR A 16 2.514 -7.979 4.696 1.00 0.00 H new ATOM 0 HB THR A 16 4.771 -7.663 4.886 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.666 -5.903 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.365 -5.517 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.933 -6.255 3.061 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.741 -4.888 4.184 1.00 0.00 H new ATOM 251 N LYS A 17 2.397 -6.790 7.776 1.00 0.00 N ATOM 252 CA LYS A 17 2.260 -7.293 9.165 1.00 0.00 C ATOM 253 C LYS A 17 1.044 -8.216 9.187 1.00 0.00 C ATOM 254 O LYS A 17 0.990 -9.194 9.907 1.00 0.00 O ATOM 255 CB LYS A 17 2.061 -6.128 10.150 1.00 0.00 C ATOM 256 CG LYS A 17 1.435 -6.656 11.458 1.00 0.00 C ATOM 257 CD LYS A 17 1.773 -5.739 12.632 1.00 0.00 C ATOM 258 CE LYS A 17 1.256 -6.381 13.923 1.00 0.00 C ATOM 259 NZ LYS A 17 1.795 -5.643 15.098 1.00 0.00 N ATOM 0 H LYS A 17 2.303 -5.782 7.650 1.00 0.00 H new ATOM 0 HA LYS A 17 3.161 -7.825 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.017 -5.649 10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.416 -5.370 9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.353 -6.726 11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.800 -7.663 11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.850 -5.584 12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.318 -4.759 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.166 -6.364 13.939 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.559 -7.427 13.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.443 -6.080 15.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.834 -5.681 15.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.485 -4.651 15.057 1.00 0.00 H new ATOM 273 N LEU A 18 0.070 -7.896 8.382 1.00 0.00 N ATOM 274 CA LEU A 18 -1.162 -8.720 8.311 1.00 0.00 C ATOM 275 C LEU A 18 -0.798 -10.033 7.607 1.00 0.00 C ATOM 276 O LEU A 18 -1.265 -11.095 7.966 1.00 0.00 O ATOM 277 CB LEU A 18 -2.247 -7.956 7.518 1.00 0.00 C ATOM 278 CG LEU A 18 -2.861 -6.726 8.292 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.368 -6.919 8.484 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.244 -6.496 9.684 1.00 0.00 C ATOM 0 H LEU A 18 0.078 -7.086 7.762 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.556 -8.928 9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.817 -7.604 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.049 -8.648 7.261 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.638 -5.857 7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.779 -6.063 9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.851 -7.004 7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.548 -7.827 9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.717 -5.634 10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.403 -7.379 10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.174 -6.312 9.582 1.00 0.00 H new ATOM 292 N ILE A 19 0.072 -9.965 6.635 1.00 0.00 N ATOM 293 CA ILE A 19 0.519 -11.198 5.930 1.00 0.00 C ATOM 294 C ILE A 19 1.417 -11.964 6.895 1.00 0.00 C ATOM 295 O ILE A 19 1.466 -13.178 6.898 1.00 0.00 O ATOM 296 CB ILE A 19 1.312 -10.819 4.665 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.364 -10.142 3.662 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.920 -12.072 4.028 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.144 -9.674 2.429 1.00 0.00 C ATOM 0 H ILE A 19 0.495 -9.100 6.298 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.334 -11.805 5.627 1.00 0.00 H new ATOM 0 HB ILE A 19 2.117 -10.136 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.419 -10.839 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.129 -9.292 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.478 -11.792 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.591 -12.553 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.124 -12.765 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.461 -9.196 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.910 -8.961 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.616 -10.532 1.950 1.00 0.00 H new ATOM 311 N ASP A 20 2.134 -11.245 7.713 1.00 0.00 N ATOM 312 CA ASP A 20 3.046 -11.892 8.690 1.00 0.00 C ATOM 313 C ASP A 20 2.251 -12.476 9.858 1.00 0.00 C ATOM 314 O ASP A 20 2.722 -13.371 10.533 1.00 0.00 O ATOM 315 CB ASP A 20 4.033 -10.850 9.223 1.00 0.00 C ATOM 316 CG ASP A 20 5.131 -11.551 10.026 1.00 0.00 C ATOM 317 OD1 ASP A 20 6.084 -12.006 9.416 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.000 -11.619 11.237 1.00 0.00 O ATOM 0 H ASP A 20 2.125 -10.226 7.745 1.00 0.00 H new ATOM 0 HA ASP A 20 3.584 -12.698 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.472 -10.293 8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.512 -10.128 9.852 1.00 0.00 H new ATOM 323 N ASN A 21 1.055 -11.987 10.123 1.00 0.00 N ATOM 324 CA ASN A 21 0.272 -12.548 11.276 1.00 0.00 C ATOM 325 C ASN A 21 -0.561 -13.745 10.793 1.00 0.00 C ATOM 326 O ASN A 21 -1.238 -14.379 11.574 1.00 0.00 O ATOM 327 CB ASN A 21 -0.610 -11.474 11.915 1.00 0.00 C ATOM 328 CG ASN A 21 -1.321 -12.058 13.138 1.00 0.00 C ATOM 329 OD1 ASN A 21 -2.273 -11.487 13.633 1.00 0.00 O ATOM 330 ND2 ASN A 21 -0.895 -13.179 13.651 1.00 0.00 N ATOM 0 H ASN A 21 0.597 -11.239 9.602 1.00 0.00 H new ATOM 0 HA ASN A 21 0.964 -12.891 12.045 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.003 -10.617 12.209 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.343 -11.113 11.193 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.361 -13.576 14.467 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.096 -13.659 13.236 1.00 0.00 H new ATOM 337 N ASN A 22 -0.455 -14.096 9.530 1.00 0.00 N ATOM 338 CA ASN A 22 -1.172 -15.312 8.996 1.00 0.00 C ATOM 339 C ASN A 22 -2.652 -15.049 8.676 1.00 0.00 C ATOM 340 O ASN A 22 -3.492 -15.884 8.947 1.00 0.00 O ATOM 341 CB ASN A 22 -1.078 -16.456 10.032 1.00 0.00 C ATOM 342 CG ASN A 22 -1.088 -17.816 9.321 1.00 0.00 C ATOM 343 OD1 ASN A 22 -1.906 -18.664 9.618 1.00 0.00 O ATOM 344 ND2 ASN A 22 -0.208 -18.058 8.389 1.00 0.00 N ATOM 0 H ASN A 22 0.100 -13.591 8.839 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.682 -15.584 8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.166 -16.351 10.619 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.914 -16.395 10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.207 -18.959 7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.479 -17.347 8.139 1.00 0.00 H new ATOM 351 N LYS A 23 -2.995 -13.930 8.100 1.00 0.00 N ATOM 352 CA LYS A 23 -4.439 -13.676 7.772 1.00 0.00 C ATOM 353 C LYS A 23 -4.682 -14.062 6.307 1.00 0.00 C ATOM 354 O LYS A 23 -3.792 -14.011 5.481 1.00 0.00 O ATOM 355 CB LYS A 23 -4.759 -12.198 7.992 1.00 0.00 C ATOM 356 CG LYS A 23 -4.105 -11.684 9.313 1.00 0.00 C ATOM 357 CD LYS A 23 -5.147 -11.039 10.247 1.00 0.00 C ATOM 358 CE LYS A 23 -4.533 -10.845 11.633 1.00 0.00 C ATOM 359 NZ LYS A 23 -4.087 -12.160 12.172 1.00 0.00 N ATOM 0 H LYS A 23 -2.350 -13.183 7.842 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.085 -14.271 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.395 -11.612 7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.839 -12.057 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.619 -12.514 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.328 -10.957 9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.470 -10.080 9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.032 -11.671 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.688 -10.159 11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.263 -10.394 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.594 -12.015 13.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.914 -12.772 12.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.441 -12.612 11.494 1.00 0.00 H new ATOM 373 N THR A 24 -5.890 -14.456 5.989 1.00 0.00 N ATOM 374 CA THR A 24 -6.221 -14.857 4.591 1.00 0.00 C ATOM 375 C THR A 24 -6.472 -13.622 3.720 1.00 0.00 C ATOM 376 O THR A 24 -6.692 -12.536 4.215 1.00 0.00 O ATOM 377 CB THR A 24 -7.488 -15.731 4.592 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.630 -14.911 4.376 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.629 -16.444 5.936 1.00 0.00 C ATOM 0 H THR A 24 -6.667 -14.517 6.647 1.00 0.00 H new ATOM 0 HA THR A 24 -5.378 -15.416 4.184 1.00 0.00 H new ATOM 0 HB THR A 24 -7.409 -16.472 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.437 -15.467 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.528 -17.060 5.928 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.757 -17.076 6.106 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.702 -15.705 6.734 1.00 0.00 H new ATOM 387 N GLU A 25 -6.467 -13.792 2.427 1.00 0.00 N ATOM 388 CA GLU A 25 -6.729 -12.636 1.515 1.00 0.00 C ATOM 389 C GLU A 25 -8.088 -12.023 1.882 1.00 0.00 C ATOM 390 O GLU A 25 -8.239 -10.821 1.970 1.00 0.00 O ATOM 391 CB GLU A 25 -6.753 -13.138 0.066 1.00 0.00 C ATOM 392 CG GLU A 25 -6.664 -11.956 -0.900 1.00 0.00 C ATOM 393 CD GLU A 25 -7.114 -12.397 -2.296 1.00 0.00 C ATOM 394 OE1 GLU A 25 -6.594 -13.389 -2.779 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.972 -11.734 -2.856 1.00 0.00 O ATOM 0 H GLU A 25 -6.293 -14.681 1.959 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.949 -11.882 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.921 -13.821 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.669 -13.700 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.291 -11.137 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.641 -11.581 -0.938 1.00 0.00 H new ATOM 402 N LYS A 26 -9.079 -12.852 2.081 1.00 0.00 N ATOM 403 CA LYS A 26 -10.444 -12.351 2.428 1.00 0.00 C ATOM 404 C LYS A 26 -10.404 -11.459 3.684 1.00 0.00 C ATOM 405 O LYS A 26 -11.177 -10.531 3.813 1.00 0.00 O ATOM 406 CB LYS A 26 -11.377 -13.562 2.654 1.00 0.00 C ATOM 407 CG LYS A 26 -12.802 -13.249 2.173 1.00 0.00 C ATOM 408 CD LYS A 26 -13.331 -11.989 2.873 1.00 0.00 C ATOM 409 CE LYS A 26 -14.860 -11.955 2.795 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.422 -13.082 3.592 1.00 0.00 N ATOM 0 H LYS A 26 -9.001 -13.867 2.017 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.822 -11.743 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.990 -14.430 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.394 -13.821 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.806 -13.103 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.459 -14.094 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.011 -11.979 3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.914 -11.098 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.233 -11.004 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.184 -12.032 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.374 -12.830 3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.478 -13.934 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.807 -13.270 4.409 1.00 0.00 H new ATOM 424 N GLU A 27 -9.526 -11.722 4.608 1.00 0.00 N ATOM 425 CA GLU A 27 -9.477 -10.871 5.837 1.00 0.00 C ATOM 426 C GLU A 27 -8.811 -9.522 5.526 1.00 0.00 C ATOM 427 O GLU A 27 -9.178 -8.505 6.080 1.00 0.00 O ATOM 428 CB GLU A 27 -8.665 -11.567 6.933 1.00 0.00 C ATOM 429 CG GLU A 27 -9.469 -12.706 7.555 1.00 0.00 C ATOM 430 CD GLU A 27 -8.584 -13.473 8.541 1.00 0.00 C ATOM 431 OE1 GLU A 27 -7.764 -12.840 9.186 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.743 -14.679 8.634 1.00 0.00 O ATOM 0 H GLU A 27 -8.845 -12.480 4.571 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.501 -10.711 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.737 -11.956 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.390 -10.846 7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.345 -12.310 8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.832 -13.377 6.777 1.00 0.00 H new ATOM 439 N ILE A 28 -7.831 -9.497 4.667 1.00 0.00 N ATOM 440 CA ILE A 28 -7.150 -8.207 4.360 1.00 0.00 C ATOM 441 C ILE A 28 -8.137 -7.270 3.674 1.00 0.00 C ATOM 442 O ILE A 28 -8.169 -6.085 3.942 1.00 0.00 O ATOM 443 CB ILE A 28 -5.936 -8.510 3.464 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.225 -9.771 4.036 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.000 -7.297 3.412 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.695 -9.700 3.944 1.00 0.00 C ATOM 0 H ILE A 28 -7.473 -10.310 4.166 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.803 -7.715 5.269 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.248 -8.709 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.514 -9.900 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.574 -10.652 3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.145 -7.524 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.537 -6.440 3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.651 -7.063 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.263 -10.610 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.397 -9.601 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.336 -8.838 4.507 1.00 0.00 H new ATOM 458 N LEU A 29 -8.952 -7.782 2.804 1.00 0.00 N ATOM 459 CA LEU A 29 -9.941 -6.914 2.117 1.00 0.00 C ATOM 460 C LEU A 29 -11.064 -6.540 3.095 1.00 0.00 C ATOM 461 O LEU A 29 -11.645 -5.480 3.015 1.00 0.00 O ATOM 462 CB LEU A 29 -10.505 -7.677 0.920 1.00 0.00 C ATOM 463 CG LEU A 29 -9.343 -8.158 0.038 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.895 -9.036 -1.090 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.606 -6.947 -0.566 1.00 0.00 C ATOM 0 H LEU A 29 -8.977 -8.766 2.537 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.466 -5.996 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.096 -8.527 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.173 -7.035 0.345 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.644 -8.734 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.074 -9.380 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.410 -9.897 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.595 -8.457 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.783 -7.296 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.300 -6.364 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.213 -6.323 0.237 1.00 0.00 H new ATOM 477 N ASP A 30 -11.359 -7.400 4.031 1.00 0.00 N ATOM 478 CA ASP A 30 -12.423 -7.078 5.030 1.00 0.00 C ATOM 479 C ASP A 30 -11.926 -5.930 5.918 1.00 0.00 C ATOM 480 O ASP A 30 -12.653 -5.001 6.212 1.00 0.00 O ATOM 481 CB ASP A 30 -12.711 -8.311 5.890 1.00 0.00 C ATOM 482 CG ASP A 30 -13.908 -8.029 6.800 1.00 0.00 C ATOM 483 OD1 ASP A 30 -15.026 -8.105 6.316 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.687 -7.742 7.965 1.00 0.00 O ATOM 0 H ASP A 30 -10.912 -8.309 4.149 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.340 -6.783 4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.919 -9.171 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.836 -8.562 6.489 1.00 0.00 H new ATOM 489 N ALA A 31 -10.704 -6.002 6.367 1.00 0.00 N ATOM 490 CA ALA A 31 -10.159 -4.937 7.262 1.00 0.00 C ATOM 491 C ALA A 31 -10.019 -3.605 6.500 1.00 0.00 C ATOM 492 O ALA A 31 -10.048 -2.547 7.097 1.00 0.00 O ATOM 493 CB ALA A 31 -8.793 -5.395 7.786 1.00 0.00 C ATOM 0 H ALA A 31 -10.053 -6.757 6.152 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.843 -4.774 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.379 -4.629 8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.910 -6.325 8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.117 -5.557 6.946 1.00 0.00 H new ATOM 499 N PHE A 32 -9.901 -3.629 5.204 1.00 0.00 N ATOM 500 CA PHE A 32 -9.799 -2.345 4.433 1.00 0.00 C ATOM 501 C PHE A 32 -10.984 -1.444 4.792 1.00 0.00 C ATOM 502 O PHE A 32 -10.974 -0.257 4.532 1.00 0.00 O ATOM 503 CB PHE A 32 -9.840 -2.687 2.936 1.00 0.00 C ATOM 504 CG PHE A 32 -8.467 -3.113 2.421 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.432 -3.524 3.294 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.229 -3.082 1.041 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.186 -3.889 2.776 1.00 0.00 C ATOM 508 CE2 PHE A 32 -6.979 -3.448 0.531 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.957 -3.847 1.399 1.00 0.00 C ATOM 0 H PHE A 32 -9.870 -4.478 4.639 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.873 -1.823 4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.559 -3.488 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.188 -1.821 2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.605 -3.556 4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.015 -2.774 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.398 -4.205 3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.803 -3.423 -0.534 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.990 -4.123 1.004 1.00 0.00 H new ATOM 519 N ASP A 33 -12.014 -2.002 5.361 1.00 0.00 N ATOM 520 CA ASP A 33 -13.209 -1.182 5.705 1.00 0.00 C ATOM 521 C ASP A 33 -12.953 -0.348 6.965 1.00 0.00 C ATOM 522 O ASP A 33 -13.634 0.628 7.209 1.00 0.00 O ATOM 523 CB ASP A 33 -14.401 -2.108 5.949 1.00 0.00 C ATOM 524 CG ASP A 33 -15.628 -1.276 6.326 1.00 0.00 C ATOM 525 OD1 ASP A 33 -16.103 -0.539 5.479 1.00 0.00 O ATOM 526 OD2 ASP A 33 -16.073 -1.390 7.457 1.00 0.00 O ATOM 0 H ASP A 33 -12.081 -2.991 5.603 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.419 -0.506 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.608 -2.695 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.169 -2.814 6.746 1.00 0.00 H new ATOM 531 N LYS A 34 -11.976 -0.712 7.764 1.00 0.00 N ATOM 532 CA LYS A 34 -11.676 0.074 9.005 1.00 0.00 C ATOM 533 C LYS A 34 -10.173 0.361 9.086 1.00 0.00 C ATOM 534 O LYS A 34 -9.676 0.804 10.103 1.00 0.00 O ATOM 535 CB LYS A 34 -12.121 -0.714 10.244 1.00 0.00 C ATOM 536 CG LYS A 34 -11.608 -2.152 10.166 1.00 0.00 C ATOM 537 CD LYS A 34 -11.880 -2.870 11.493 1.00 0.00 C ATOM 538 CE LYS A 34 -13.388 -3.080 11.682 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.613 -4.144 12.699 1.00 0.00 N ATOM 0 H LYS A 34 -11.373 -1.520 7.610 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.220 1.018 8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.742 -0.233 11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.209 -0.711 10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.099 -2.680 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.539 -2.156 9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.367 -3.832 11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.480 -2.284 12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.859 -2.150 12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.849 -3.362 10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.635 -4.289 12.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.176 -5.031 12.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.186 -3.856 13.603 1.00 0.00 H new ATOM 553 N MET A 35 -9.436 0.118 8.028 1.00 0.00 N ATOM 554 CA MET A 35 -7.968 0.392 8.072 1.00 0.00 C ATOM 555 C MET A 35 -7.741 1.892 7.840 1.00 0.00 C ATOM 556 O MET A 35 -6.922 2.498 8.502 1.00 0.00 O ATOM 557 CB MET A 35 -7.248 -0.442 6.984 1.00 0.00 C ATOM 558 CG MET A 35 -5.921 -1.036 7.502 1.00 0.00 C ATOM 559 SD MET A 35 -6.187 -2.737 8.080 1.00 0.00 S ATOM 560 CE MET A 35 -5.485 -3.602 6.647 1.00 0.00 C ATOM 0 H MET A 35 -9.785 -0.255 7.145 1.00 0.00 H new ATOM 0 HA MET A 35 -7.561 0.111 9.044 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.902 -1.248 6.652 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.051 0.186 6.116 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.174 -1.025 6.709 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.531 -0.423 8.315 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.769 -4.654 6.682 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.865 -3.153 5.729 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.398 -3.519 6.668 1.00 0.00 H new ATOM 570 N CYS A 36 -8.448 2.515 6.929 1.00 0.00 N ATOM 571 CA CYS A 36 -8.216 3.968 6.738 1.00 0.00 C ATOM 572 C CYS A 36 -8.643 4.656 8.033 1.00 0.00 C ATOM 573 O CYS A 36 -8.562 5.862 8.167 1.00 0.00 O ATOM 574 CB CYS A 36 -9.020 4.495 5.544 1.00 0.00 C ATOM 575 SG CYS A 36 -8.051 4.293 4.030 1.00 0.00 S ATOM 0 H CYS A 36 -9.154 2.090 6.328 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.167 4.170 6.522 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.963 3.955 5.460 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.267 5.546 5.693 1.00 0.00 H new ATOM 580 N SER A 37 -9.105 3.895 8.987 1.00 0.00 N ATOM 581 CA SER A 37 -9.549 4.504 10.279 1.00 0.00 C ATOM 582 C SER A 37 -8.353 4.704 11.224 1.00 0.00 C ATOM 583 O SER A 37 -8.537 4.912 12.408 1.00 0.00 O ATOM 584 CB SER A 37 -10.569 3.581 10.948 1.00 0.00 C ATOM 585 OG SER A 37 -11.265 4.303 11.956 1.00 0.00 O ATOM 0 H SER A 37 -9.195 2.881 8.931 1.00 0.00 H new ATOM 0 HA SER A 37 -9.999 5.475 10.071 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.272 3.199 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.065 2.719 11.384 1.00 0.00 H new ATOM 0 HG SER A 37 -10.622 4.794 12.510 1.00 0.00 H new ATOM 591 N LYS A 38 -7.135 4.649 10.726 1.00 0.00 N ATOM 592 CA LYS A 38 -5.934 4.842 11.616 1.00 0.00 C ATOM 593 C LYS A 38 -5.112 6.057 11.146 1.00 0.00 C ATOM 594 O LYS A 38 -4.121 6.414 11.752 1.00 0.00 O ATOM 595 CB LYS A 38 -5.067 3.573 11.592 1.00 0.00 C ATOM 596 CG LYS A 38 -5.686 2.509 12.503 1.00 0.00 C ATOM 597 CD LYS A 38 -4.824 1.245 12.470 1.00 0.00 C ATOM 598 CE LYS A 38 -5.570 0.101 13.157 1.00 0.00 C ATOM 599 NZ LYS A 38 -5.929 0.505 14.547 1.00 0.00 N ATOM 0 H LYS A 38 -6.919 4.479 9.744 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.271 5.027 12.636 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.989 3.193 10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.055 3.806 11.924 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.759 2.886 13.523 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.700 2.279 12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.594 0.976 11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.874 1.427 12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.470 -0.149 12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.947 -0.794 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.136 -0.343 15.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.134 1.021 14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.768 1.119 14.524 1.00 0.00 H new ATOM 613 N LEU A 39 -5.527 6.708 10.086 1.00 0.00 N ATOM 614 CA LEU A 39 -4.789 7.918 9.581 1.00 0.00 C ATOM 615 C LEU A 39 -5.615 9.169 9.952 1.00 0.00 C ATOM 616 O LEU A 39 -6.827 9.118 9.876 1.00 0.00 O ATOM 617 CB LEU A 39 -4.665 7.820 8.057 1.00 0.00 C ATOM 618 CG LEU A 39 -3.977 6.500 7.679 1.00 0.00 C ATOM 619 CD1 LEU A 39 -4.002 6.329 6.162 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.518 6.499 8.167 1.00 0.00 C ATOM 0 H LEU A 39 -6.352 6.454 9.542 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.794 7.979 10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.652 7.872 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.091 8.664 7.674 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.511 5.676 8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.514 5.392 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.035 6.312 5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.475 7.160 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.043 5.557 7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.979 7.326 7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.497 6.613 9.251 1.00 0.00 H new ATOM 632 N PRO A 40 -4.974 10.266 10.343 1.00 0.00 N ATOM 633 CA PRO A 40 -5.719 11.491 10.708 1.00 0.00 C ATOM 634 C PRO A 40 -6.851 11.730 9.687 1.00 0.00 C ATOM 635 O PRO A 40 -6.822 11.205 8.591 1.00 0.00 O ATOM 636 CB PRO A 40 -4.645 12.606 10.719 1.00 0.00 C ATOM 637 CG PRO A 40 -3.254 11.902 10.673 1.00 0.00 C ATOM 638 CD PRO A 40 -3.502 10.395 10.451 1.00 0.00 C ATOM 0 HA PRO A 40 -6.217 11.440 11.676 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.770 13.269 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.737 13.220 11.615 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.643 12.312 9.869 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.710 12.068 11.603 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.006 10.041 9.547 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.113 9.804 11.280 1.00 0.00 H new ATOM 646 N LYS A 41 -7.868 12.480 10.044 1.00 0.00 N ATOM 647 CA LYS A 41 -9.002 12.694 9.094 1.00 0.00 C ATOM 648 C LYS A 41 -8.557 13.449 7.840 1.00 0.00 C ATOM 649 O LYS A 41 -9.224 13.431 6.825 1.00 0.00 O ATOM 650 CB LYS A 41 -10.154 13.445 9.771 1.00 0.00 C ATOM 651 CG LYS A 41 -11.469 13.190 8.997 1.00 0.00 C ATOM 652 CD LYS A 41 -12.167 11.938 9.541 1.00 0.00 C ATOM 653 CE LYS A 41 -13.410 11.643 8.699 1.00 0.00 C ATOM 654 NZ LYS A 41 -14.234 10.601 9.375 1.00 0.00 N ATOM 0 H LYS A 41 -7.960 12.949 10.945 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.352 11.707 8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.259 13.114 10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.938 14.513 9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.128 14.053 9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.257 13.065 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.486 11.088 9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.448 12.089 10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.995 12.553 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.117 11.302 7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.079 10.401 8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.674 9.731 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.525 10.943 10.313 1.00 0.00 H new ATOM 668 N SER A 42 -7.489 14.193 7.932 1.00 0.00 N ATOM 669 CA SER A 42 -7.074 15.040 6.778 1.00 0.00 C ATOM 670 C SER A 42 -6.451 14.237 5.645 1.00 0.00 C ATOM 671 O SER A 42 -6.139 14.741 4.584 1.00 0.00 O ATOM 672 CB SER A 42 -6.092 16.111 7.252 1.00 0.00 C ATOM 673 OG SER A 42 -5.660 16.877 6.135 1.00 0.00 O ATOM 0 H SER A 42 -6.887 14.251 8.754 1.00 0.00 H new ATOM 0 HA SER A 42 -7.978 15.502 6.381 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.568 16.758 7.989 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.237 15.646 7.742 1.00 0.00 H new ATOM 0 HG SER A 42 -5.716 16.332 5.323 1.00 0.00 H new ATOM 679 N LEU A 43 -6.234 12.981 5.910 1.00 0.00 N ATOM 680 CA LEU A 43 -5.589 12.058 4.937 1.00 0.00 C ATOM 681 C LEU A 43 -6.637 11.022 4.531 1.00 0.00 C ATOM 682 O LEU A 43 -6.413 10.192 3.671 1.00 0.00 O ATOM 683 CB LEU A 43 -4.419 11.383 5.704 1.00 0.00 C ATOM 684 CG LEU A 43 -3.072 11.667 5.044 1.00 0.00 C ATOM 685 CD1 LEU A 43 -2.859 13.186 4.820 1.00 0.00 C ATOM 686 CD2 LEU A 43 -1.937 11.098 5.914 1.00 0.00 C ATOM 0 H LEU A 43 -6.487 12.540 6.794 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.218 12.557 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.403 11.743 6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.584 10.306 5.745 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.063 11.182 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.890 13.352 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.648 13.573 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.889 13.703 5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.977 11.303 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.963 11.567 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.066 10.021 6.022 1.00 0.00 H new ATOM 698 N SER A 44 -7.764 11.071 5.166 1.00 0.00 N ATOM 699 CA SER A 44 -8.867 10.108 4.873 1.00 0.00 C ATOM 700 C SER A 44 -8.954 9.817 3.372 1.00 0.00 C ATOM 701 O SER A 44 -8.852 8.697 2.914 1.00 0.00 O ATOM 702 CB SER A 44 -10.193 10.708 5.342 1.00 0.00 C ATOM 703 OG SER A 44 -11.265 9.891 4.888 1.00 0.00 O ATOM 0 H SER A 44 -7.979 11.752 5.895 1.00 0.00 H new ATOM 0 HA SER A 44 -8.663 9.175 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.209 10.778 6.430 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.304 11.721 4.956 1.00 0.00 H new ATOM 0 HG SER A 44 -12.117 10.272 5.188 1.00 0.00 H new ATOM 709 N GLU A 45 -9.309 10.845 2.647 1.00 0.00 N ATOM 710 CA GLU A 45 -9.626 10.772 1.190 1.00 0.00 C ATOM 711 C GLU A 45 -8.603 10.165 0.235 1.00 0.00 C ATOM 712 O GLU A 45 -8.897 9.247 -0.504 1.00 0.00 O ATOM 713 CB GLU A 45 -9.855 12.206 0.710 1.00 0.00 C ATOM 714 CG GLU A 45 -11.000 12.844 1.503 1.00 0.00 C ATOM 715 CD GLU A 45 -11.198 14.287 1.034 1.00 0.00 C ATOM 716 OE1 GLU A 45 -10.455 15.142 1.486 1.00 0.00 O ATOM 717 OE2 GLU A 45 -12.090 14.511 0.233 1.00 0.00 O ATOM 0 H GLU A 45 -9.396 11.786 3.031 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.475 10.090 1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.944 12.791 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.092 12.209 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.918 12.274 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.775 12.824 2.569 1.00 0.00 H new ATOM 724 N GLU A 46 -7.408 10.666 0.248 1.00 0.00 N ATOM 725 CA GLU A 46 -6.371 10.116 -0.654 1.00 0.00 C ATOM 726 C GLU A 46 -6.234 8.622 -0.409 1.00 0.00 C ATOM 727 O GLU A 46 -5.776 7.889 -1.257 1.00 0.00 O ATOM 728 CB GLU A 46 -5.038 10.804 -0.366 1.00 0.00 C ATOM 729 CG GLU A 46 -5.182 12.311 -0.584 1.00 0.00 C ATOM 730 CD GLU A 46 -5.224 12.611 -2.083 1.00 0.00 C ATOM 731 OE1 GLU A 46 -4.298 12.216 -2.772 1.00 0.00 O ATOM 732 OE2 GLU A 46 -6.181 13.231 -2.518 1.00 0.00 O ATOM 0 H GLU A 46 -7.103 11.434 0.846 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.655 10.290 -1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.727 10.603 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.262 10.404 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.092 12.673 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.347 12.837 -0.121 1.00 0.00 H new ATOM 739 N CYS A 47 -6.635 8.155 0.734 1.00 0.00 N ATOM 740 CA CYS A 47 -6.530 6.699 1.005 1.00 0.00 C ATOM 741 C CYS A 47 -7.692 5.987 0.312 1.00 0.00 C ATOM 742 O CYS A 47 -7.522 4.951 -0.299 1.00 0.00 O ATOM 743 CB CYS A 47 -6.567 6.468 2.528 1.00 0.00 C ATOM 744 SG CYS A 47 -8.247 6.071 3.093 1.00 0.00 S ATOM 0 H CYS A 47 -7.029 8.714 1.490 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.593 6.299 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.891 5.655 2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.209 7.360 3.042 1.00 0.00 H new ATOM 749 N GLN A 48 -8.868 6.526 0.409 1.00 0.00 N ATOM 750 CA GLN A 48 -10.031 5.865 -0.240 1.00 0.00 C ATOM 751 C GLN A 48 -9.722 5.627 -1.716 1.00 0.00 C ATOM 752 O GLN A 48 -10.027 4.587 -2.265 1.00 0.00 O ATOM 753 CB GLN A 48 -11.271 6.754 -0.110 1.00 0.00 C ATOM 754 CG GLN A 48 -12.481 6.034 -0.707 1.00 0.00 C ATOM 755 CD GLN A 48 -13.736 6.883 -0.498 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.652 8.085 -0.337 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.907 6.306 -0.496 1.00 0.00 N ATOM 0 H GLN A 48 -9.077 7.392 0.906 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.223 4.910 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.455 6.988 0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.108 7.701 -0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.323 5.856 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -12.606 5.059 -0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.979 5.298 -0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.750 6.864 -0.359 1.00 0.00 H new ATOM 766 N GLU A 49 -9.129 6.590 -2.369 1.00 0.00 N ATOM 767 CA GLU A 49 -8.813 6.428 -3.813 1.00 0.00 C ATOM 768 C GLU A 49 -7.723 5.370 -4.013 1.00 0.00 C ATOM 769 O GLU A 49 -7.788 4.572 -4.926 1.00 0.00 O ATOM 770 CB GLU A 49 -8.334 7.768 -4.378 1.00 0.00 C ATOM 771 CG GLU A 49 -7.894 7.585 -5.833 1.00 0.00 C ATOM 772 CD GLU A 49 -7.717 8.955 -6.489 1.00 0.00 C ATOM 773 OE1 GLU A 49 -7.128 9.819 -5.861 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.174 9.118 -7.608 1.00 0.00 O ATOM 0 H GLU A 49 -8.850 7.483 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.713 6.103 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.134 8.506 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.505 8.150 -3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.959 7.027 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.637 7.002 -6.378 1.00 0.00 H new ATOM 781 N VAL A 50 -6.723 5.347 -3.168 1.00 0.00 N ATOM 782 CA VAL A 50 -5.651 4.326 -3.335 1.00 0.00 C ATOM 783 C VAL A 50 -6.212 2.947 -3.007 1.00 0.00 C ATOM 784 O VAL A 50 -6.047 2.005 -3.757 1.00 0.00 O ATOM 785 CB VAL A 50 -4.465 4.607 -2.398 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.347 3.599 -2.681 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.937 6.038 -2.623 1.00 0.00 C ATOM 0 H VAL A 50 -6.605 5.984 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.303 4.366 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.796 4.511 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.504 3.795 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.716 2.588 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.024 3.696 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.097 6.225 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.608 6.146 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.732 6.755 -2.418 1.00 0.00 H new ATOM 797 N VAL A 51 -6.841 2.807 -1.868 1.00 0.00 N ATOM 798 CA VAL A 51 -7.369 1.473 -1.477 1.00 0.00 C ATOM 799 C VAL A 51 -8.396 0.989 -2.508 1.00 0.00 C ATOM 800 O VAL A 51 -8.328 -0.116 -3.005 1.00 0.00 O ATOM 801 CB VAL A 51 -7.951 1.542 -0.059 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.376 0.153 0.403 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.895 2.091 0.909 1.00 0.00 C ATOM 0 H VAL A 51 -7.009 3.557 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.560 0.743 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.819 2.201 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.787 0.215 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.134 -0.240 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.511 -0.510 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.313 2.138 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.025 1.435 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.596 3.090 0.593 1.00 0.00 H new ATOM 813 N ASP A 52 -9.387 1.801 -2.772 1.00 0.00 N ATOM 814 CA ASP A 52 -10.483 1.401 -3.705 1.00 0.00 C ATOM 815 C ASP A 52 -9.978 1.169 -5.130 1.00 0.00 C ATOM 816 O ASP A 52 -10.370 0.226 -5.790 1.00 0.00 O ATOM 817 CB ASP A 52 -11.544 2.508 -3.722 1.00 0.00 C ATOM 818 CG ASP A 52 -12.714 2.078 -4.607 1.00 0.00 C ATOM 819 OD1 ASP A 52 -13.219 0.989 -4.399 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.086 2.848 -5.478 1.00 0.00 O ATOM 0 H ASP A 52 -9.485 2.736 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.901 0.460 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.894 2.707 -2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.112 3.435 -4.098 1.00 0.00 H new ATOM 825 N THR A 53 -9.132 2.030 -5.621 1.00 0.00 N ATOM 826 CA THR A 53 -8.626 1.873 -7.012 1.00 0.00 C ATOM 827 C THR A 53 -7.435 0.923 -7.052 1.00 0.00 C ATOM 828 O THR A 53 -7.314 0.135 -7.968 1.00 0.00 O ATOM 829 CB THR A 53 -8.199 3.244 -7.545 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.248 4.179 -7.330 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.901 3.145 -9.041 1.00 0.00 C ATOM 0 H THR A 53 -8.768 2.839 -5.117 1.00 0.00 H new ATOM 0 HA THR A 53 -9.421 1.457 -7.630 1.00 0.00 H new ATOM 0 HB THR A 53 -7.302 3.574 -7.021 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.120 4.621 -6.465 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.598 4.122 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.097 2.427 -9.205 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.796 2.815 -9.569 1.00 0.00 H new ATOM 839 N TYR A 54 -6.537 1.003 -6.102 1.00 0.00 N ATOM 840 CA TYR A 54 -5.333 0.111 -6.136 1.00 0.00 C ATOM 841 C TYR A 54 -5.352 -0.944 -5.024 1.00 0.00 C ATOM 842 O TYR A 54 -4.330 -1.318 -4.488 1.00 0.00 O ATOM 843 CB TYR A 54 -4.082 0.968 -6.004 1.00 0.00 C ATOM 844 CG TYR A 54 -3.949 1.849 -7.225 1.00 0.00 C ATOM 845 CD1 TYR A 54 -3.242 1.403 -8.347 1.00 0.00 C ATOM 846 CD2 TYR A 54 -4.532 3.117 -7.228 1.00 0.00 C ATOM 847 CE1 TYR A 54 -3.120 2.232 -9.470 1.00 0.00 C ATOM 848 CE2 TYR A 54 -4.415 3.945 -8.344 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.706 3.505 -9.468 1.00 0.00 C ATOM 850 OH TYR A 54 -3.587 4.321 -10.574 1.00 0.00 O ATOM 0 H TYR A 54 -6.583 1.642 -5.309 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.340 -0.424 -7.086 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.140 1.580 -5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.202 0.333 -5.902 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.791 0.422 -8.347 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.077 3.459 -6.361 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.574 1.890 -10.337 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.871 4.924 -8.341 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.052 5.168 -10.408 1.00 0.00 H new ATOM 860 N GLY A 55 -6.518 -1.392 -4.642 1.00 0.00 N ATOM 861 CA GLY A 55 -6.621 -2.382 -3.533 1.00 0.00 C ATOM 862 C GLY A 55 -6.333 -3.806 -4.011 1.00 0.00 C ATOM 863 O GLY A 55 -5.520 -4.502 -3.434 1.00 0.00 O ATOM 0 H GLY A 55 -7.408 -1.112 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.920 -2.116 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.620 -2.340 -3.100 1.00 0.00 H new ATOM 867 N SER A 56 -7.002 -4.271 -5.032 1.00 0.00 N ATOM 868 CA SER A 56 -6.754 -5.668 -5.478 1.00 0.00 C ATOM 869 C SER A 56 -5.367 -5.790 -6.090 1.00 0.00 C ATOM 870 O SER A 56 -4.766 -6.846 -6.097 1.00 0.00 O ATOM 871 CB SER A 56 -7.791 -6.094 -6.514 1.00 0.00 C ATOM 872 OG SER A 56 -9.056 -5.541 -6.175 1.00 0.00 O ATOM 0 H SER A 56 -7.698 -3.752 -5.568 1.00 0.00 H new ATOM 0 HA SER A 56 -6.828 -6.316 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.489 -5.757 -7.506 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.856 -7.181 -6.553 1.00 0.00 H new ATOM 0 HG SER A 56 -9.721 -5.813 -6.841 1.00 0.00 H new ATOM 878 N SER A 57 -4.882 -4.726 -6.676 1.00 0.00 N ATOM 879 CA SER A 57 -3.570 -4.813 -7.364 1.00 0.00 C ATOM 880 C SER A 57 -2.418 -4.843 -6.354 1.00 0.00 C ATOM 881 O SER A 57 -1.551 -5.683 -6.435 1.00 0.00 O ATOM 882 CB SER A 57 -3.412 -3.664 -8.376 1.00 0.00 C ATOM 883 OG SER A 57 -3.838 -4.114 -9.656 1.00 0.00 O ATOM 0 H SER A 57 -5.335 -3.813 -6.706 1.00 0.00 H new ATOM 0 HA SER A 57 -3.535 -5.750 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.003 -2.803 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.372 -3.339 -8.418 1.00 0.00 H new ATOM 0 HG SER A 57 -3.742 -3.387 -10.307 1.00 0.00 H new ATOM 889 N ILE A 58 -2.422 -3.975 -5.373 1.00 0.00 N ATOM 890 CA ILE A 58 -1.339 -4.010 -4.352 1.00 0.00 C ATOM 891 C ILE A 58 -1.305 -5.394 -3.726 1.00 0.00 C ATOM 892 O ILE A 58 -0.297 -6.070 -3.679 1.00 0.00 O ATOM 893 CB ILE A 58 -1.637 -2.985 -3.246 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.459 -1.566 -3.800 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.671 -3.206 -2.067 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.956 -0.543 -2.771 1.00 0.00 C ATOM 0 H ILE A 58 -3.126 -3.249 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.385 -3.776 -4.825 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.663 -3.111 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.409 -1.384 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.013 -1.457 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.882 -2.479 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.802 -4.214 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.356 -3.082 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.828 0.464 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.011 -0.720 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.382 -0.645 -1.850 1.00 0.00 H new ATOM 908 N LEU A 59 -2.435 -5.783 -3.231 1.00 0.00 N ATOM 909 CA LEU A 59 -2.578 -7.093 -2.566 1.00 0.00 C ATOM 910 C LEU A 59 -2.215 -8.206 -3.545 1.00 0.00 C ATOM 911 O LEU A 59 -1.876 -9.296 -3.140 1.00 0.00 O ATOM 912 CB LEU A 59 -4.035 -7.225 -2.105 1.00 0.00 C ATOM 913 CG LEU A 59 -4.307 -8.624 -1.534 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.284 -8.949 -0.433 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.732 -8.670 -0.941 1.00 0.00 C ATOM 0 H LEU A 59 -3.291 -5.229 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.911 -7.171 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.250 -6.471 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.704 -7.034 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.219 -9.360 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.484 -9.943 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.278 -8.922 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.364 -8.213 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.925 -9.663 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.819 -7.930 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.459 -8.449 -1.723 1.00 0.00 H new ATOM 927 N SER A 60 -2.306 -7.978 -4.830 1.00 0.00 N ATOM 928 CA SER A 60 -1.983 -9.089 -5.777 1.00 0.00 C ATOM 929 C SER A 60 -0.465 -9.191 -5.983 1.00 0.00 C ATOM 930 O SER A 60 0.089 -10.264 -6.122 1.00 0.00 O ATOM 931 CB SER A 60 -2.666 -8.817 -7.112 1.00 0.00 C ATOM 932 OG SER A 60 -4.053 -9.108 -7.000 1.00 0.00 O ATOM 0 H SER A 60 -2.583 -7.094 -5.258 1.00 0.00 H new ATOM 0 HA SER A 60 -2.341 -10.031 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.524 -7.776 -7.400 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.217 -9.429 -7.894 1.00 0.00 H new ATOM 0 HG SER A 60 -4.566 -8.273 -7.029 1.00 0.00 H new ATOM 938 N ILE A 61 0.204 -8.065 -6.012 1.00 0.00 N ATOM 939 CA ILE A 61 1.685 -8.052 -6.221 1.00 0.00 C ATOM 940 C ILE A 61 2.406 -8.613 -4.994 1.00 0.00 C ATOM 941 O ILE A 61 3.329 -9.397 -5.106 1.00 0.00 O ATOM 942 CB ILE A 61 2.150 -6.600 -6.438 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.212 -5.883 -7.462 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.612 -6.609 -6.912 1.00 0.00 C ATOM 945 CD1 ILE A 61 2.006 -5.116 -8.533 1.00 0.00 C ATOM 0 H ILE A 61 -0.218 -7.143 -5.898 1.00 0.00 H new ATOM 0 HA ILE A 61 1.920 -8.667 -7.089 1.00 0.00 H new ATOM 0 HB ILE A 61 2.094 -6.043 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.571 -6.621 -7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.558 -5.191 -6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.950 -5.585 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.236 -7.086 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.688 -7.163 -7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.314 -4.633 -9.223 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.627 -4.359 -8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.641 -5.811 -9.083 1.00 0.00 H new ATOM 957 N LEU A 62 2.018 -8.184 -3.829 1.00 0.00 N ATOM 958 CA LEU A 62 2.700 -8.648 -2.593 1.00 0.00 C ATOM 959 C LEU A 62 2.756 -10.183 -2.565 1.00 0.00 C ATOM 960 O LEU A 62 3.703 -10.766 -2.077 1.00 0.00 O ATOM 961 CB LEU A 62 1.924 -8.097 -1.377 1.00 0.00 C ATOM 962 CG LEU A 62 2.707 -6.946 -0.714 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.751 -6.057 0.095 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.791 -7.533 0.200 1.00 0.00 C ATOM 0 H LEU A 62 1.252 -7.527 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 62 3.726 -8.282 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.943 -7.742 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.756 -8.895 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 62 3.178 -6.335 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.313 -5.247 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.994 -5.639 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.267 -6.653 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.348 -6.723 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.324 -8.148 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.472 -8.146 -0.391 1.00 0.00 H new ATOM 976 N LEU A 63 1.755 -10.838 -3.077 1.00 0.00 N ATOM 977 CA LEU A 63 1.765 -12.328 -3.066 1.00 0.00 C ATOM 978 C LEU A 63 2.739 -12.861 -4.118 1.00 0.00 C ATOM 979 O LEU A 63 3.094 -14.023 -4.106 1.00 0.00 O ATOM 980 CB LEU A 63 0.354 -12.864 -3.323 1.00 0.00 C ATOM 981 CG LEU A 63 -0.624 -12.230 -2.329 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.018 -12.826 -2.543 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.160 -12.498 -0.889 1.00 0.00 C ATOM 0 H LEU A 63 0.932 -10.410 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 63 2.096 -12.670 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.048 -12.638 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.342 -13.949 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.657 -11.153 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.718 -12.378 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.349 -12.622 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.982 -13.904 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.862 -12.043 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.119 -13.573 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.830 -12.068 -0.740 1.00 0.00 H new ATOM 995 N GLU A 64 3.182 -12.032 -5.029 1.00 0.00 N ATOM 996 CA GLU A 64 4.137 -12.520 -6.068 1.00 0.00 C ATOM 997 C GLU A 64 5.559 -12.412 -5.510 1.00 0.00 C ATOM 998 O GLU A 64 6.523 -12.264 -6.234 1.00 0.00 O ATOM 999 CB GLU A 64 3.994 -11.692 -7.351 1.00 0.00 C ATOM 1000 CG GLU A 64 2.779 -12.174 -8.150 1.00 0.00 C ATOM 1001 CD GLU A 64 3.064 -13.560 -8.733 1.00 0.00 C ATOM 1002 OE1 GLU A 64 4.122 -13.729 -9.317 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.220 -14.427 -8.586 1.00 0.00 O ATOM 0 H GLU A 64 2.926 -11.047 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 64 3.920 -13.559 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.881 -10.637 -7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.897 -11.783 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.900 -12.213 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.556 -11.470 -8.952 1.00 0.00 H new ATOM 1010 N GLU A 65 5.677 -12.542 -4.216 1.00 0.00 N ATOM 1011 CA GLU A 65 7.018 -12.514 -3.567 1.00 0.00 C ATOM 1012 C GLU A 65 7.859 -11.318 -4.032 1.00 0.00 C ATOM 1013 O GLU A 65 9.072 -11.377 -4.074 1.00 0.00 O ATOM 1014 CB GLU A 65 7.753 -13.789 -3.984 1.00 0.00 C ATOM 1015 CG GLU A 65 6.996 -15.009 -3.453 1.00 0.00 C ATOM 1016 CD GLU A 65 7.148 -15.084 -1.934 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.274 -15.006 -1.467 1.00 0.00 O ATOM 1018 OE2 GLU A 65 6.139 -15.218 -1.262 1.00 0.00 O ATOM 0 H GLU A 65 4.893 -12.668 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 65 6.881 -12.436 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.829 -13.839 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.770 -13.780 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.942 -14.940 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.383 -15.918 -3.913 1.00 0.00 H new ATOM 1025 N VAL A 66 7.219 -10.224 -4.352 1.00 0.00 N ATOM 1026 CA VAL A 66 7.961 -8.997 -4.783 1.00 0.00 C ATOM 1027 C VAL A 66 8.224 -8.132 -3.535 1.00 0.00 C ATOM 1028 O VAL A 66 7.414 -8.073 -2.631 1.00 0.00 O ATOM 1029 CB VAL A 66 7.086 -8.236 -5.808 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.329 -6.722 -5.735 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.411 -8.725 -7.227 1.00 0.00 C ATOM 0 H VAL A 66 6.204 -10.125 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 66 8.914 -9.247 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 66 6.041 -8.433 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.699 -6.217 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.084 -6.362 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.377 -6.511 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.794 -8.188 -7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.464 -8.541 -7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.207 -9.793 -7.299 1.00 0.00 H new ATOM 1041 N SER A 67 9.349 -7.461 -3.481 1.00 0.00 N ATOM 1042 CA SER A 67 9.653 -6.604 -2.293 1.00 0.00 C ATOM 1043 C SER A 67 8.480 -5.628 -2.062 1.00 0.00 C ATOM 1044 O SER A 67 7.806 -5.270 -3.006 1.00 0.00 O ATOM 1045 CB SER A 67 10.938 -5.809 -2.552 1.00 0.00 C ATOM 1046 OG SER A 67 10.606 -4.585 -3.191 1.00 0.00 O ATOM 0 H SER A 67 10.067 -7.470 -4.205 1.00 0.00 H new ATOM 0 HA SER A 67 9.789 -7.231 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.456 -5.615 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.618 -6.387 -3.177 1.00 0.00 H new ATOM 0 HG SER A 67 11.232 -3.887 -2.906 1.00 0.00 H new ATOM 1052 N PRO A 68 8.248 -5.223 -0.823 1.00 0.00 N ATOM 1053 CA PRO A 68 7.134 -4.300 -0.513 1.00 0.00 C ATOM 1054 C PRO A 68 7.329 -2.905 -1.148 1.00 0.00 C ATOM 1055 O PRO A 68 6.380 -2.285 -1.576 1.00 0.00 O ATOM 1056 CB PRO A 68 7.144 -4.181 1.034 1.00 0.00 C ATOM 1057 CG PRO A 68 8.433 -4.875 1.545 1.00 0.00 C ATOM 1058 CD PRO A 68 9.041 -5.647 0.358 1.00 0.00 C ATOM 0 HA PRO A 68 6.193 -4.678 -0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.125 -3.135 1.338 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.259 -4.653 1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.140 -4.139 1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.204 -5.553 2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.097 -5.408 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.974 -6.724 0.512 1.00 0.00 H new ATOM 1066 N GLU A 69 8.527 -2.380 -1.163 1.00 0.00 N ATOM 1067 CA GLU A 69 8.719 -1.001 -1.718 1.00 0.00 C ATOM 1068 C GLU A 69 8.751 -1.017 -3.255 1.00 0.00 C ATOM 1069 O GLU A 69 8.581 0.011 -3.897 1.00 0.00 O ATOM 1070 CB GLU A 69 10.020 -0.388 -1.153 1.00 0.00 C ATOM 1071 CG GLU A 69 11.026 -1.492 -0.805 1.00 0.00 C ATOM 1072 CD GLU A 69 12.362 -0.856 -0.419 1.00 0.00 C ATOM 1073 OE1 GLU A 69 12.340 0.155 0.262 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.386 -1.392 -0.812 1.00 0.00 O ATOM 0 H GLU A 69 9.372 -2.837 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 69 7.872 -0.386 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.456 0.292 -1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.795 0.201 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.648 -2.098 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.160 -2.159 -1.657 1.00 0.00 H new ATOM 1081 N LEU A 70 8.925 -2.155 -3.869 1.00 0.00 N ATOM 1082 CA LEU A 70 8.925 -2.154 -5.354 1.00 0.00 C ATOM 1083 C LEU A 70 7.482 -1.897 -5.800 1.00 0.00 C ATOM 1084 O LEU A 70 7.212 -1.596 -6.946 1.00 0.00 O ATOM 1085 CB LEU A 70 9.460 -3.489 -5.905 1.00 0.00 C ATOM 1086 CG LEU A 70 10.997 -3.531 -5.816 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.491 -4.981 -5.919 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.642 -2.722 -6.952 1.00 0.00 C ATOM 0 H LEU A 70 9.063 -3.060 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 70 9.584 -1.378 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.034 -4.319 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.146 -3.614 -6.941 1.00 0.00 H new ATOM 0 HG LEU A 70 11.281 -3.098 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.579 -5.000 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.069 -5.568 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.176 -5.406 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.727 -2.770 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.338 -3.138 -7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.319 -1.683 -6.888 1.00 0.00 H new ATOM 1100 N VAL A 71 6.551 -2.046 -4.887 1.00 0.00 N ATOM 1101 CA VAL A 71 5.114 -1.846 -5.235 1.00 0.00 C ATOM 1102 C VAL A 71 4.852 -0.387 -5.617 1.00 0.00 C ATOM 1103 O VAL A 71 4.318 -0.115 -6.669 1.00 0.00 O ATOM 1104 CB VAL A 71 4.219 -2.261 -4.041 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.809 -1.631 -4.135 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.094 -3.787 -4.000 1.00 0.00 C ATOM 0 H VAL A 71 6.728 -2.298 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 71 4.871 -2.473 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 71 4.690 -1.897 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.212 -1.946 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.895 -0.544 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.325 -1.958 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.464 -4.078 -3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.646 -4.140 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.083 -4.230 -3.883 1.00 0.00 H new ATOM 1116 N CYS A 72 5.172 0.558 -4.783 1.00 0.00 N ATOM 1117 CA CYS A 72 4.855 1.962 -5.157 1.00 0.00 C ATOM 1118 C CYS A 72 5.662 2.383 -6.397 1.00 0.00 C ATOM 1119 O CYS A 72 5.243 3.225 -7.167 1.00 0.00 O ATOM 1120 CB CYS A 72 5.171 2.889 -3.966 1.00 0.00 C ATOM 1121 SG CYS A 72 3.902 4.163 -3.825 1.00 0.00 S ATOM 0 H CYS A 72 5.628 0.427 -3.880 1.00 0.00 H new ATOM 0 HA CYS A 72 3.796 2.040 -5.402 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.219 2.308 -3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.149 3.351 -4.103 1.00 0.00 H new ATOM 1126 N SER A 73 6.814 1.790 -6.595 1.00 0.00 N ATOM 1127 CA SER A 73 7.637 2.153 -7.793 1.00 0.00 C ATOM 1128 C SER A 73 7.074 1.500 -9.075 1.00 0.00 C ATOM 1129 O SER A 73 7.065 2.110 -10.125 1.00 0.00 O ATOM 1130 CB SER A 73 9.085 1.712 -7.581 1.00 0.00 C ATOM 1131 OG SER A 73 9.932 2.454 -8.448 1.00 0.00 O ATOM 0 H SER A 73 7.218 1.078 -5.987 1.00 0.00 H new ATOM 0 HA SER A 73 7.599 3.235 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.378 1.871 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.186 0.645 -7.780 1.00 0.00 H new ATOM 0 HG SER A 73 10.862 2.175 -8.314 1.00 0.00 H new ATOM 1137 N MET A 74 6.606 0.278 -9.012 1.00 0.00 N ATOM 1138 CA MET A 74 6.052 -0.379 -10.247 1.00 0.00 C ATOM 1139 C MET A 74 4.692 0.242 -10.623 1.00 0.00 C ATOM 1140 O MET A 74 4.411 0.451 -11.787 1.00 0.00 O ATOM 1141 CB MET A 74 5.875 -1.904 -9.997 1.00 0.00 C ATOM 1142 CG MET A 74 7.050 -2.712 -10.576 1.00 0.00 C ATOM 1143 SD MET A 74 6.570 -4.453 -10.758 1.00 0.00 S ATOM 1144 CE MET A 74 5.729 -4.671 -9.167 1.00 0.00 C ATOM 0 H MET A 74 6.581 -0.293 -8.167 1.00 0.00 H new ATOM 0 HA MET A 74 6.751 -0.222 -11.068 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.796 -2.091 -8.926 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.942 -2.242 -10.449 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.343 -2.303 -11.543 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.917 -2.631 -9.920 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.689 -5.732 -8.919 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.276 -4.137 -8.390 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.715 -4.276 -9.234 1.00 0.00 H new ATOM 1154 N LEU A 75 3.841 0.525 -9.676 1.00 0.00 N ATOM 1155 CA LEU A 75 2.515 1.112 -10.037 1.00 0.00 C ATOM 1156 C LEU A 75 2.683 2.574 -10.477 1.00 0.00 C ATOM 1157 O LEU A 75 1.730 3.324 -10.543 1.00 0.00 O ATOM 1158 CB LEU A 75 1.564 1.042 -8.832 1.00 0.00 C ATOM 1159 CG LEU A 75 1.482 -0.401 -8.295 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.381 -0.496 -7.235 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.172 -1.381 -9.437 1.00 0.00 C ATOM 0 H LEU A 75 4.001 0.379 -8.679 1.00 0.00 H new ATOM 0 HA LEU A 75 2.093 0.539 -10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.914 1.710 -8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.571 1.385 -9.124 1.00 0.00 H new ATOM 0 HG LEU A 75 2.443 -0.662 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.326 -1.517 -6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.608 0.183 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.576 -0.221 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.117 -2.395 -9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.218 -1.118 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.961 -1.326 -10.188 1.00 0.00 H new ATOM 1173 N HIS A 76 3.887 2.983 -10.781 1.00 0.00 N ATOM 1174 CA HIS A 76 4.115 4.395 -11.218 1.00 0.00 C ATOM 1175 C HIS A 76 3.408 5.347 -10.244 1.00 0.00 C ATOM 1176 O HIS A 76 3.074 6.461 -10.595 1.00 0.00 O ATOM 1177 CB HIS A 76 3.574 4.590 -12.642 1.00 0.00 C ATOM 1178 CG HIS A 76 4.247 3.615 -13.568 1.00 0.00 C ATOM 1179 ND1 HIS A 76 5.596 3.698 -13.875 1.00 0.00 N ATOM 1180 CD2 HIS A 76 3.771 2.530 -14.261 1.00 0.00 C ATOM 1181 CE1 HIS A 76 5.882 2.690 -14.720 1.00 0.00 C ATOM 1182 NE2 HIS A 76 4.805 1.947 -14.987 1.00 0.00 N ATOM 0 H HIS A 76 4.724 2.401 -10.746 1.00 0.00 H new ATOM 0 HA HIS A 76 5.183 4.613 -11.218 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.495 4.438 -12.657 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.757 5.611 -12.976 1.00 0.00 H new ATOM 0 HD2 HIS A 76 2.749 2.182 -14.245 1.00 0.00 H new ATOM 0 HE1 HIS A 76 6.863 2.505 -15.132 1.00 0.00 H new ATOM 0 HE2 HIS A 76 4.752 1.128 -15.593 1.00 0.00 H new ATOM 1190 N LEU A 77 3.168 4.927 -9.032 1.00 0.00 N ATOM 1191 CA LEU A 77 2.476 5.815 -8.052 1.00 0.00 C ATOM 1192 C LEU A 77 3.524 6.723 -7.387 1.00 0.00 C ATOM 1193 O LEU A 77 3.189 7.721 -6.779 1.00 0.00 O ATOM 1194 CB LEU A 77 1.740 4.921 -7.013 1.00 0.00 C ATOM 1195 CG LEU A 77 0.235 5.267 -6.891 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.456 5.359 -8.275 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.466 4.196 -6.029 1.00 0.00 C ATOM 0 H LEU A 77 3.421 4.005 -8.676 1.00 0.00 H new ATOM 0 HA LEU A 77 1.738 6.451 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.847 3.875 -7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.216 5.035 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 77 0.154 6.246 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.510 5.603 -8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.024 6.136 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.369 4.402 -8.790 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.526 4.436 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.353 3.219 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.015 4.175 -5.037 1.00 0.00 H new ATOM 1209 N CYS A 78 4.790 6.396 -7.523 1.00 0.00 N ATOM 1210 CA CYS A 78 5.875 7.250 -6.929 1.00 0.00 C ATOM 1211 C CYS A 78 6.887 7.579 -8.032 1.00 0.00 C ATOM 1212 O CYS A 78 6.870 6.992 -9.096 1.00 0.00 O ATOM 1213 CB CYS A 78 6.593 6.498 -5.810 1.00 0.00 C ATOM 1214 SG CYS A 78 5.596 6.558 -4.315 1.00 0.00 S ATOM 0 H CYS A 78 5.121 5.570 -8.022 1.00 0.00 H new ATOM 0 HA CYS A 78 5.436 8.159 -6.518 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.765 5.463 -6.105 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.571 6.944 -5.626 1.00 0.00 H new