USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 627 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 33 TYR OH : rot -71:sc= -4.39! USER MOD Set 1.2: A 37 MET CE :methyl -169:sc= -0.345 (180deg=-0.42) USER MOD Set 1.3: A 70 HIS : no HE2:sc= -2.38! C(o=-7.1!,f=-13!) USER MOD Single : A 11 HIS : no HD1:sc= -0.597 X(o=-0.6,f=-0.5) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.5) USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= 0.555 (180deg=-0.242) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -53:sc= -0.693 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.014) USER MOD Single : A 35 GLN : amide:sc=-0.00143 X(o=-0.0014,f=0) USER MOD Single : A 36 THR OG1 : rot -93:sc= 0.917 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.35 X(o=-2.4,f=-2.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.93) USER MOD Single : A 74 TYR OH : rot -8:sc= 1.35 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 23:sc= 0.47 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -12.274 3.791 0.064 1.00 0.00 N ATOM 79 CA VAL A 5 -11.206 3.245 -0.767 1.00 0.00 C ATOM 80 C VAL A 5 -10.818 1.844 -0.309 1.00 0.00 C ATOM 81 O VAL A 5 -10.320 1.039 -1.097 1.00 0.00 O ATOM 82 CB VAL A 5 -9.955 4.146 -0.749 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.987 3.735 -1.848 1.00 0.00 C ATOM 84 CG2 VAL A 5 -10.345 5.609 -0.891 1.00 0.00 C ATOM 0 HA VAL A 5 -11.592 3.200 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.454 4.021 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.110 4.381 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.680 2.700 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.476 3.828 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.448 6.228 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.871 5.755 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.996 5.894 -0.065 1.00 0.00 H new ATOM 94 N ALA A 6 -11.045 1.557 0.970 1.00 0.00 N ATOM 95 CA ALA A 6 -10.717 0.253 1.533 1.00 0.00 C ATOM 96 C ALA A 6 -11.423 -0.869 0.781 1.00 0.00 C ATOM 97 O ALA A 6 -10.814 -1.883 0.441 1.00 0.00 O ATOM 98 CB ALA A 6 -11.079 0.210 3.010 1.00 0.00 C ATOM 0 H ALA A 6 -11.455 2.212 1.636 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.643 0.102 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.829 -0.769 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.520 0.979 3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.148 0.390 3.128 1.00 0.00 H new ATOM 104 N ARG A 7 -12.711 -0.680 0.526 1.00 0.00 N ATOM 105 CA ARG A 7 -13.504 -1.677 -0.188 1.00 0.00 C ATOM 106 C ARG A 7 -12.939 -1.918 -1.580 1.00 0.00 C ATOM 107 O ARG A 7 -12.630 -3.052 -1.953 1.00 0.00 O ATOM 108 CB ARG A 7 -14.963 -1.227 -0.285 1.00 0.00 C ATOM 109 CG ARG A 7 -15.890 -2.285 -0.860 1.00 0.00 C ATOM 110 CD ARG A 7 -16.155 -2.052 -2.339 1.00 0.00 C ATOM 111 NE ARG A 7 -17.498 -1.527 -2.576 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.095 -1.526 -3.765 1.00 0.00 C ATOM 113 NH1 ARG A 7 -17.471 -2.022 -4.828 1.00 0.00 N ATOM 114 NH2 ARG A 7 -19.318 -1.030 -3.895 1.00 0.00 N ATOM 0 H ARG A 7 -13.230 0.153 0.802 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.459 -2.612 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.315 -0.949 0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.018 -0.332 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.448 -3.272 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.834 -2.278 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -15.417 -1.354 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.030 -2.989 -2.882 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.008 -1.138 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -16.531 -2.406 -4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -17.932 -2.019 -5.738 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.803 -0.648 -3.083 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -19.774 -1.030 -4.807 1.00 0.00 H new ATOM 128 N GLU A 8 -12.799 -0.842 -2.340 1.00 0.00 N ATOM 129 CA GLU A 8 -12.264 -0.926 -3.693 1.00 0.00 C ATOM 130 C GLU A 8 -10.819 -1.412 -3.664 1.00 0.00 C ATOM 131 O GLU A 8 -10.353 -2.069 -4.595 1.00 0.00 O ATOM 132 CB GLU A 8 -12.349 0.436 -4.386 1.00 0.00 C ATOM 133 CG GLU A 8 -13.223 0.432 -5.629 1.00 0.00 C ATOM 134 CD GLU A 8 -12.577 -0.294 -6.793 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.396 -0.013 -7.086 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.254 -1.142 -7.412 1.00 0.00 O ATOM 0 H GLU A 8 -13.049 0.101 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.862 -1.642 -4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.739 1.170 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.344 0.759 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.178 -0.040 -5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.438 1.460 -5.921 1.00 0.00 H new ATOM 143 N PHE A 9 -10.116 -1.084 -2.584 1.00 0.00 N ATOM 144 CA PHE A 9 -8.725 -1.486 -2.424 1.00 0.00 C ATOM 145 C PHE A 9 -8.606 -3.004 -2.345 1.00 0.00 C ATOM 146 O PHE A 9 -7.856 -3.618 -3.101 1.00 0.00 O ATOM 147 CB PHE A 9 -8.132 -0.849 -1.165 1.00 0.00 C ATOM 148 CG PHE A 9 -6.678 -1.167 -0.956 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.279 -2.439 -0.574 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.709 -0.192 -1.140 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.942 -2.731 -0.381 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.372 -0.481 -0.948 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.987 -1.752 -0.568 1.00 0.00 C ATOM 0 H PHE A 9 -10.489 -0.540 -1.806 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.168 -1.140 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.254 0.233 -1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.697 -1.187 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.021 -3.210 -0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.003 0.804 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.644 -3.726 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.627 0.287 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.942 -1.979 -0.418 1.00 0.00 H new ATOM 163 N ARG A 10 -9.354 -3.603 -1.423 1.00 0.00 N ATOM 164 CA ARG A 10 -9.332 -5.051 -1.243 1.00 0.00 C ATOM 165 C ARG A 10 -9.694 -5.769 -2.539 1.00 0.00 C ATOM 166 O ARG A 10 -9.043 -6.740 -2.925 1.00 0.00 O ATOM 167 CB ARG A 10 -10.300 -5.461 -0.131 1.00 0.00 C ATOM 168 CG ARG A 10 -9.878 -6.720 0.610 1.00 0.00 C ATOM 169 CD ARG A 10 -8.506 -6.557 1.246 1.00 0.00 C ATOM 170 NE ARG A 10 -8.283 -7.521 2.319 1.00 0.00 N ATOM 171 CZ ARG A 10 -8.775 -7.390 3.548 1.00 0.00 C ATOM 172 NH1 ARG A 10 -9.521 -6.338 3.864 1.00 0.00 N ATOM 173 NH2 ARG A 10 -8.520 -8.312 4.466 1.00 0.00 N ATOM 0 H ARG A 10 -9.982 -3.109 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.320 -5.341 -0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.388 -4.642 0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.289 -5.617 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.612 -6.954 1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.862 -7.563 -0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.736 -6.678 0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.407 -5.546 1.641 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.716 -8.344 2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.720 -5.625 3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.895 -6.243 4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.947 -9.122 4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.897 -8.211 5.408 1.00 0.00 H new ATOM 187 N HIS A 11 -10.739 -5.287 -3.205 1.00 0.00 N ATOM 188 CA HIS A 11 -11.188 -5.885 -4.458 1.00 0.00 C ATOM 189 C HIS A 11 -10.071 -5.888 -5.499 1.00 0.00 C ATOM 190 O HIS A 11 -9.752 -6.927 -6.079 1.00 0.00 O ATOM 191 CB HIS A 11 -12.402 -5.128 -5.000 1.00 0.00 C ATOM 192 CG HIS A 11 -13.711 -5.679 -4.523 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.928 -7.022 -4.303 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.877 -5.056 -4.226 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.171 -7.204 -3.891 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.767 -6.027 -3.835 1.00 0.00 N ATOM 0 H HIS A 11 -11.290 -4.485 -2.899 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.469 -6.918 -4.255 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.329 -4.081 -4.706 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.381 -5.155 -6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -15.071 -3.995 -4.285 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.622 -8.153 -3.643 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -16.732 -5.865 -3.548 1.00 0.00 H new ATOM 205 N LYS A 12 -9.485 -4.718 -5.734 1.00 0.00 N ATOM 206 CA LYS A 12 -8.409 -4.588 -6.711 1.00 0.00 C ATOM 207 C LYS A 12 -7.195 -5.423 -6.313 1.00 0.00 C ATOM 208 O LYS A 12 -6.468 -5.920 -7.172 1.00 0.00 O ATOM 209 CB LYS A 12 -8.006 -3.118 -6.870 1.00 0.00 C ATOM 210 CG LYS A 12 -7.378 -2.514 -5.627 1.00 0.00 C ATOM 211 CD LYS A 12 -6.367 -1.437 -5.981 1.00 0.00 C ATOM 212 CE LYS A 12 -7.053 -0.157 -6.434 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.289 0.532 -7.510 1.00 0.00 N ATOM 0 H LYS A 12 -9.736 -3.849 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.780 -4.961 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.303 -3.032 -7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.888 -2.537 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.157 -2.089 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.889 -3.297 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.738 -1.228 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.710 -1.799 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.056 -0.390 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.167 0.514 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.790 1.399 -7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.341 0.777 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.202 -0.099 -8.332 1.00 0.00 H new ATOM 227 N VAL A 13 -6.981 -5.578 -5.009 1.00 0.00 N ATOM 228 CA VAL A 13 -5.853 -6.358 -4.513 1.00 0.00 C ATOM 229 C VAL A 13 -5.946 -7.805 -4.992 1.00 0.00 C ATOM 230 O VAL A 13 -4.993 -8.345 -5.555 1.00 0.00 O ATOM 231 CB VAL A 13 -5.779 -6.335 -2.971 1.00 0.00 C ATOM 232 CG1 VAL A 13 -4.670 -7.247 -2.465 1.00 0.00 C ATOM 233 CG2 VAL A 13 -5.573 -4.913 -2.468 1.00 0.00 C ATOM 0 H VAL A 13 -7.571 -5.176 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.947 -5.900 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.726 -6.707 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.639 -7.213 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.863 -8.269 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.713 -6.913 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.523 -4.916 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.642 -4.515 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.406 -4.288 -2.791 1.00 0.00 H new ATOM 243 N ASP A 14 -7.098 -8.423 -4.770 1.00 0.00 N ATOM 244 CA ASP A 14 -7.315 -9.805 -5.183 1.00 0.00 C ATOM 245 C ASP A 14 -7.174 -9.942 -6.696 1.00 0.00 C ATOM 246 O ASP A 14 -6.554 -10.885 -7.188 1.00 0.00 O ATOM 247 CB ASP A 14 -8.701 -10.278 -4.744 1.00 0.00 C ATOM 248 CG ASP A 14 -8.807 -10.447 -3.241 1.00 0.00 C ATOM 249 OD1 ASP A 14 -8.167 -11.373 -2.700 1.00 0.00 O ATOM 250 OD2 ASP A 14 -9.528 -9.651 -2.604 1.00 0.00 O ATOM 0 H ASP A 14 -7.897 -7.990 -4.307 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.559 -10.428 -4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.450 -9.560 -5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.929 -11.227 -5.230 1.00 0.00 H new ATOM 255 N PHE A 15 -7.756 -8.996 -7.426 1.00 0.00 N ATOM 256 CA PHE A 15 -7.698 -9.011 -8.884 1.00 0.00 C ATOM 257 C PHE A 15 -6.281 -8.730 -9.381 1.00 0.00 C ATOM 258 O PHE A 15 -5.856 -9.263 -10.406 1.00 0.00 O ATOM 259 CB PHE A 15 -8.666 -7.977 -9.462 1.00 0.00 C ATOM 260 CG PHE A 15 -8.840 -8.083 -10.951 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.089 -9.309 -11.547 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.755 -6.958 -11.754 1.00 0.00 C ATOM 263 CE1 PHE A 15 -9.250 -9.410 -12.915 1.00 0.00 C ATOM 264 CE2 PHE A 15 -8.915 -7.051 -13.124 1.00 0.00 C ATOM 265 CZ PHE A 15 -9.163 -8.279 -13.705 1.00 0.00 C ATOM 0 H PHE A 15 -8.273 -8.210 -7.032 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.989 -10.005 -9.222 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.638 -8.093 -8.982 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.306 -6.978 -9.217 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.158 -10.196 -10.935 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.561 -5.995 -11.304 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.444 -10.372 -13.367 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.846 -6.165 -13.738 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.289 -8.356 -14.775 1.00 0.00 H new ATOM 275 N LEU A 16 -5.557 -7.891 -8.648 1.00 0.00 N ATOM 276 CA LEU A 16 -4.189 -7.538 -9.018 1.00 0.00 C ATOM 277 C LEU A 16 -3.200 -8.576 -8.502 1.00 0.00 C ATOM 278 O LEU A 16 -2.636 -9.351 -9.274 1.00 0.00 O ATOM 279 CB LEU A 16 -3.830 -6.156 -8.470 1.00 0.00 C ATOM 280 CG LEU A 16 -4.298 -4.977 -9.329 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.854 -3.861 -8.456 1.00 0.00 C ATOM 282 CD2 LEU A 16 -3.156 -4.462 -10.194 1.00 0.00 C ATOM 0 H LEU A 16 -5.893 -7.443 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.128 -7.516 -10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.261 -6.054 -7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.748 -6.097 -8.357 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.096 -5.326 -9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.180 -3.034 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.701 -4.236 -7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.079 -3.513 -7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.506 -3.625 -10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.336 -4.132 -9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.807 -5.260 -10.849 1.00 0.00 H new ATOM 294 N ILE A 17 -2.996 -8.583 -7.192 1.00 0.00 N ATOM 295 CA ILE A 17 -2.074 -9.525 -6.566 1.00 0.00 C ATOM 296 C ILE A 17 -2.455 -10.963 -6.899 1.00 0.00 C ATOM 297 O ILE A 17 -1.661 -11.714 -7.467 1.00 0.00 O ATOM 298 CB ILE A 17 -2.043 -9.360 -5.032 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.947 -7.882 -4.645 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.877 -10.140 -4.441 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.772 -7.164 -5.273 1.00 0.00 C ATOM 0 H ILE A 17 -3.456 -7.947 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.083 -9.306 -6.964 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.973 -9.758 -4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.868 -7.378 -4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.872 -7.804 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.867 -10.015 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.986 -11.197 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.059 -9.767 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.769 -6.122 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.156 -7.642 -4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.856 -7.210 -6.359 1.00 0.00 H new ATOM 313 N GLU A 18 -3.679 -11.334 -6.540 1.00 0.00 N ATOM 314 CA GLU A 18 -4.192 -12.681 -6.793 1.00 0.00 C ATOM 315 C GLU A 18 -3.633 -13.697 -5.796 1.00 0.00 C ATOM 316 O GLU A 18 -4.019 -14.865 -5.812 1.00 0.00 O ATOM 317 CB GLU A 18 -3.868 -13.122 -8.223 1.00 0.00 C ATOM 318 CG GLU A 18 -5.008 -13.858 -8.908 1.00 0.00 C ATOM 319 CD GLU A 18 -4.559 -14.604 -10.148 1.00 0.00 C ATOM 320 OE1 GLU A 18 -3.778 -14.030 -10.936 1.00 0.00 O ATOM 321 OE2 GLU A 18 -4.987 -15.762 -10.333 1.00 0.00 O ATOM 0 H GLU A 18 -4.341 -10.717 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.274 -12.644 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.607 -12.244 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.990 -13.767 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.454 -14.563 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.785 -13.144 -9.180 1.00 0.00 H new ATOM 328 N ASN A 19 -2.725 -13.254 -4.927 1.00 0.00 N ATOM 329 CA ASN A 19 -2.128 -14.134 -3.934 1.00 0.00 C ATOM 330 C ASN A 19 -2.578 -13.750 -2.528 1.00 0.00 C ATOM 331 O ASN A 19 -3.177 -12.694 -2.325 1.00 0.00 O ATOM 332 CB ASN A 19 -0.602 -14.084 -4.025 1.00 0.00 C ATOM 333 CG ASN A 19 0.040 -15.424 -3.726 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.402 -16.462 -4.220 1.00 0.00 O ATOM 335 ND2 ASN A 19 1.089 -15.408 -2.913 1.00 0.00 N ATOM 0 H ASN A 19 -2.390 -12.291 -4.894 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.462 -15.151 -4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.311 -13.760 -5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.223 -13.339 -3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.563 -16.279 -2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.421 -14.524 -2.527 1.00 0.00 H new ATOM 342 N ASP A 20 -2.283 -14.611 -1.561 1.00 0.00 N ATOM 343 CA ASP A 20 -2.655 -14.358 -0.174 1.00 0.00 C ATOM 344 C ASP A 20 -1.448 -13.888 0.629 1.00 0.00 C ATOM 345 O ASP A 20 -1.550 -12.968 1.442 1.00 0.00 O ATOM 346 CB ASP A 20 -3.246 -15.621 0.457 1.00 0.00 C ATOM 347 CG ASP A 20 -4.058 -15.318 1.701 1.00 0.00 C ATOM 348 OD1 ASP A 20 -3.605 -14.492 2.520 1.00 0.00 O ATOM 349 OD2 ASP A 20 -5.149 -15.907 1.855 1.00 0.00 O ATOM 0 H ASP A 20 -1.788 -15.490 -1.712 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.409 -13.571 -0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.878 -16.127 -0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.440 -16.309 0.711 1.00 0.00 H new ATOM 354 N ALA A 21 -0.308 -14.525 0.394 1.00 0.00 N ATOM 355 CA ALA A 21 0.923 -14.174 1.092 1.00 0.00 C ATOM 356 C ALA A 21 1.405 -12.786 0.689 1.00 0.00 C ATOM 357 O ALA A 21 1.864 -12.009 1.527 1.00 0.00 O ATOM 358 CB ALA A 21 2.000 -15.211 0.814 1.00 0.00 C ATOM 0 H ALA A 21 -0.210 -15.288 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 21 0.715 -14.161 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.914 -14.937 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.662 -16.188 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.198 -15.252 -0.257 1.00 0.00 H new ATOM 364 N GLU A 22 1.296 -12.480 -0.598 1.00 0.00 N ATOM 365 CA GLU A 22 1.719 -11.183 -1.115 1.00 0.00 C ATOM 366 C GLU A 22 0.886 -10.062 -0.509 1.00 0.00 C ATOM 367 O GLU A 22 1.424 -9.081 0.006 1.00 0.00 O ATOM 368 CB GLU A 22 1.605 -11.156 -2.639 1.00 0.00 C ATOM 369 CG GLU A 22 2.585 -12.083 -3.338 1.00 0.00 C ATOM 370 CD GLU A 22 3.977 -11.490 -3.437 1.00 0.00 C ATOM 371 OE1 GLU A 22 4.647 -11.372 -2.390 1.00 0.00 O ATOM 372 OE2 GLU A 22 4.396 -11.144 -4.562 1.00 0.00 O ATOM 0 H GLU A 22 0.918 -13.112 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 22 2.761 -11.029 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.590 -11.432 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.768 -10.137 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.634 -13.028 -2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.217 -12.307 -4.339 1.00 0.00 H new ATOM 379 N LYS A 23 -0.430 -10.217 -0.571 1.00 0.00 N ATOM 380 CA LYS A 23 -1.343 -9.221 -0.024 1.00 0.00 C ATOM 381 C LYS A 23 -1.101 -9.033 1.468 1.00 0.00 C ATOM 382 O LYS A 23 -1.265 -7.936 2.002 1.00 0.00 O ATOM 383 CB LYS A 23 -2.795 -9.635 -0.274 1.00 0.00 C ATOM 384 CG LYS A 23 -3.158 -10.980 0.329 1.00 0.00 C ATOM 385 CD LYS A 23 -4.662 -11.127 0.505 1.00 0.00 C ATOM 386 CE LYS A 23 -5.401 -10.968 -0.817 1.00 0.00 C ATOM 387 NZ LYS A 23 -6.560 -10.040 -0.698 1.00 0.00 N ATOM 0 H LYS A 23 -0.890 -11.023 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.156 -8.273 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.457 -8.872 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.974 -9.668 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.786 -11.779 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.665 -11.091 1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.885 -12.105 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.020 -10.381 1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.713 -10.594 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.750 -11.943 -1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.377 -10.438 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.803 -9.915 0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.311 -9.119 -1.111 1.00 0.00 H new ATOM 401 N ASP A 24 -0.701 -10.110 2.135 1.00 0.00 N ATOM 402 CA ASP A 24 -0.424 -10.063 3.566 1.00 0.00 C ATOM 403 C ASP A 24 0.873 -9.306 3.830 1.00 0.00 C ATOM 404 O ASP A 24 1.023 -8.649 4.860 1.00 0.00 O ATOM 405 CB ASP A 24 -0.333 -11.480 4.138 1.00 0.00 C ATOM 406 CG ASP A 24 -1.495 -11.809 5.054 1.00 0.00 C ATOM 407 OD1 ASP A 24 -2.037 -10.877 5.684 1.00 0.00 O ATOM 408 OD2 ASP A 24 -1.863 -13.000 5.142 1.00 0.00 O ATOM 0 H ASP A 24 -0.561 -11.026 1.708 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.242 -9.539 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.305 -12.198 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.602 -11.587 4.688 1.00 0.00 H new ATOM 413 N TYR A 25 1.805 -9.399 2.886 1.00 0.00 N ATOM 414 CA TYR A 25 3.089 -8.721 3.009 1.00 0.00 C ATOM 415 C TYR A 25 2.908 -7.210 2.933 1.00 0.00 C ATOM 416 O TYR A 25 3.533 -6.460 3.684 1.00 0.00 O ATOM 417 CB TYR A 25 4.042 -9.191 1.909 1.00 0.00 C ATOM 418 CG TYR A 25 5.462 -9.400 2.385 1.00 0.00 C ATOM 419 CD1 TYR A 25 5.727 -10.125 3.539 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.537 -8.874 1.680 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.023 -10.319 3.978 1.00 0.00 C ATOM 422 CE2 TYR A 25 7.835 -9.064 2.112 1.00 0.00 C ATOM 423 CZ TYR A 25 8.074 -9.787 3.260 1.00 0.00 C ATOM 424 OH TYR A 25 9.365 -9.977 3.694 1.00 0.00 O ATOM 0 H TYR A 25 1.694 -9.938 2.027 1.00 0.00 H new ATOM 0 HA TYR A 25 3.518 -8.970 3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.667 -10.125 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.042 -8.457 1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.907 -10.544 4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.355 -8.307 0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.212 -10.884 4.879 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.659 -8.647 1.552 1.00 0.00 H new ATOM 0 HH TYR A 25 9.986 -9.539 3.075 1.00 0.00 H new ATOM 434 N LEU A 26 2.043 -6.768 2.024 1.00 0.00 N ATOM 435 CA LEU A 26 1.777 -5.343 1.855 1.00 0.00 C ATOM 436 C LEU A 26 1.057 -4.786 3.078 1.00 0.00 C ATOM 437 O LEU A 26 1.415 -3.729 3.598 1.00 0.00 O ATOM 438 CB LEU A 26 0.936 -5.088 0.598 1.00 0.00 C ATOM 439 CG LEU A 26 1.116 -6.102 -0.537 1.00 0.00 C ATOM 440 CD1 LEU A 26 0.449 -5.601 -1.809 1.00 0.00 C ATOM 441 CD2 LEU A 26 2.594 -6.379 -0.781 1.00 0.00 C ATOM 0 H LEU A 26 1.516 -7.374 1.395 1.00 0.00 H new ATOM 0 HA LEU A 26 2.735 -4.835 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.116 -5.072 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.177 -4.096 0.216 1.00 0.00 H new ATOM 0 HG LEU A 26 0.638 -7.036 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.587 -6.333 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.616 -5.457 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.898 -4.653 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.700 -7.101 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.098 -5.452 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.043 -6.783 0.126 1.00 0.00 H new ATOM 453 N TYR A 27 0.043 -5.511 3.530 1.00 0.00 N ATOM 454 CA TYR A 27 -0.732 -5.102 4.694 1.00 0.00 C ATOM 455 C TYR A 27 0.142 -5.082 5.942 1.00 0.00 C ATOM 456 O TYR A 27 -0.037 -4.244 6.825 1.00 0.00 O ATOM 457 CB TYR A 27 -1.920 -6.042 4.897 1.00 0.00 C ATOM 458 CG TYR A 27 -3.077 -5.767 3.963 1.00 0.00 C ATOM 459 CD1 TYR A 27 -2.879 -5.665 2.592 1.00 0.00 C ATOM 460 CD2 TYR A 27 -4.367 -5.605 4.453 1.00 0.00 C ATOM 461 CE1 TYR A 27 -3.934 -5.412 1.735 1.00 0.00 C ATOM 462 CE2 TYR A 27 -5.427 -5.352 3.603 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.205 -5.256 2.246 1.00 0.00 C ATOM 464 OH TYR A 27 -6.256 -5.003 1.396 1.00 0.00 O ATOM 0 H TYR A 27 -0.263 -6.387 3.107 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.107 -4.094 4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.587 -7.070 4.756 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.267 -5.958 5.927 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.884 -5.785 2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.544 -5.678 5.516 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.763 -5.337 0.671 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.424 -5.230 4.000 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.041 -4.232 0.830 1.00 0.00 H new ATOM 474 N ASP A 28 1.093 -6.008 6.003 1.00 0.00 N ATOM 475 CA ASP A 28 2.001 -6.094 7.141 1.00 0.00 C ATOM 476 C ASP A 28 2.880 -4.851 7.218 1.00 0.00 C ATOM 477 O ASP A 28 3.064 -4.271 8.290 1.00 0.00 O ATOM 478 CB ASP A 28 2.873 -7.346 7.032 1.00 0.00 C ATOM 479 CG ASP A 28 2.303 -8.517 7.806 1.00 0.00 C ATOM 480 OD1 ASP A 28 1.946 -8.328 8.989 1.00 0.00 O ATOM 481 OD2 ASP A 28 2.213 -9.623 7.233 1.00 0.00 O ATOM 0 H ASP A 28 1.255 -6.708 5.279 1.00 0.00 H new ATOM 0 HA ASP A 28 1.405 -6.158 8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.976 -7.623 5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.873 -7.122 7.402 1.00 0.00 H new ATOM 486 N VAL A 29 3.417 -4.442 6.073 1.00 0.00 N ATOM 487 CA VAL A 29 4.273 -3.265 6.007 1.00 0.00 C ATOM 488 C VAL A 29 3.519 -2.021 6.466 1.00 0.00 C ATOM 489 O VAL A 29 4.050 -1.202 7.213 1.00 0.00 O ATOM 490 CB VAL A 29 4.807 -3.031 4.581 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.817 -1.894 4.566 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.420 -4.307 4.023 1.00 0.00 C ATOM 0 H VAL A 29 3.274 -4.909 5.178 1.00 0.00 H new ATOM 0 HA VAL A 29 5.117 -3.448 6.672 1.00 0.00 H new ATOM 0 HB VAL A 29 3.970 -2.749 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.182 -1.745 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.340 -0.979 4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.654 -2.142 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.791 -4.122 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.245 -4.624 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.663 -5.091 3.992 1.00 0.00 H new ATOM 502 N LEU A 30 2.274 -1.894 6.018 1.00 0.00 N ATOM 503 CA LEU A 30 1.443 -0.753 6.387 1.00 0.00 C ATOM 504 C LEU A 30 1.244 -0.700 7.899 1.00 0.00 C ATOM 505 O LEU A 30 1.381 0.358 8.516 1.00 0.00 O ATOM 506 CB LEU A 30 0.086 -0.834 5.684 1.00 0.00 C ATOM 507 CG LEU A 30 0.049 -0.228 4.281 1.00 0.00 C ATOM 508 CD1 LEU A 30 -0.962 -0.959 3.410 1.00 0.00 C ATOM 509 CD2 LEU A 30 -0.283 1.257 4.350 1.00 0.00 C ATOM 0 H LEU A 30 1.819 -2.566 5.400 1.00 0.00 H new ATOM 0 HA LEU A 30 1.952 0.157 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.211 -1.881 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.657 -0.329 6.301 1.00 0.00 H new ATOM 0 HG LEU A 30 1.036 -0.341 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.974 -0.514 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.684 -2.010 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.953 -0.877 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.305 1.672 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.258 1.390 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.476 1.773 4.938 1.00 0.00 H new ATOM 521 N ARG A 31 0.927 -1.848 8.490 1.00 0.00 N ATOM 522 CA ARG A 31 0.715 -1.934 9.930 1.00 0.00 C ATOM 523 C ARG A 31 1.941 -1.435 10.684 1.00 0.00 C ATOM 524 O ARG A 31 1.825 -0.731 11.688 1.00 0.00 O ATOM 525 CB ARG A 31 0.400 -3.375 10.338 1.00 0.00 C ATOM 526 CG ARG A 31 -0.413 -3.482 11.617 1.00 0.00 C ATOM 527 CD ARG A 31 -0.116 -4.775 12.360 1.00 0.00 C ATOM 528 NE ARG A 31 -0.548 -4.718 13.754 1.00 0.00 N ATOM 529 CZ ARG A 31 -0.694 -5.790 14.530 1.00 0.00 C ATOM 530 NH1 ARG A 31 -0.442 -7.003 14.053 1.00 0.00 N ATOM 531 NH2 ARG A 31 -1.092 -5.649 15.787 1.00 0.00 N ATOM 0 H ARG A 31 0.811 -2.731 7.993 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.134 -1.301 10.188 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.145 -3.862 9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.335 -3.920 10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.192 -2.632 12.262 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.476 -3.434 11.379 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.616 -5.604 11.859 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.954 -4.978 12.320 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.750 -3.803 14.157 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.135 -7.118 13.087 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.556 -7.820 14.652 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.286 -4.719 16.159 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.204 -6.470 16.382 1.00 0.00 H new ATOM 545 N MET A 32 3.117 -1.799 10.186 1.00 0.00 N ATOM 546 CA MET A 32 4.372 -1.384 10.802 1.00 0.00 C ATOM 547 C MET A 32 4.703 0.055 10.424 1.00 0.00 C ATOM 548 O MET A 32 5.326 0.784 11.196 1.00 0.00 O ATOM 549 CB MET A 32 5.508 -2.313 10.372 1.00 0.00 C ATOM 550 CG MET A 32 5.683 -3.520 11.279 1.00 0.00 C ATOM 551 SD MET A 32 7.150 -3.402 12.324 1.00 0.00 S ATOM 552 CE MET A 32 6.454 -2.667 13.800 1.00 0.00 C ATOM 0 H MET A 32 3.228 -2.382 9.356 1.00 0.00 H new ATOM 0 HA MET A 32 4.259 -1.443 11.884 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.319 -2.657 9.355 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.440 -1.748 10.349 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.800 -3.626 11.910 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.748 -4.421 10.669 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.239 -2.530 14.543 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.016 -1.700 13.553 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.683 -3.323 14.204 1.00 0.00 H new ATOM 562 N TYR A 33 4.278 0.458 9.230 1.00 0.00 N ATOM 563 CA TYR A 33 4.524 1.811 8.744 1.00 0.00 C ATOM 564 C TYR A 33 3.861 2.838 9.656 1.00 0.00 C ATOM 565 O TYR A 33 4.361 3.952 9.819 1.00 0.00 O ATOM 566 CB TYR A 33 3.998 1.961 7.313 1.00 0.00 C ATOM 567 CG TYR A 33 4.057 3.376 6.782 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.212 4.140 6.912 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.960 3.949 6.153 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.268 5.433 6.429 1.00 0.00 C ATOM 571 CE2 TYR A 33 3.009 5.242 5.668 1.00 0.00 C ATOM 572 CZ TYR A 33 4.165 5.980 5.808 1.00 0.00 C ATOM 573 OH TYR A 33 4.218 7.267 5.326 1.00 0.00 O ATOM 0 H TYR A 33 3.761 -0.135 8.581 1.00 0.00 H new ATOM 0 HA TYR A 33 5.599 1.989 8.747 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.576 1.312 6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.966 1.613 7.278 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.078 3.716 7.398 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.053 3.374 6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.172 6.013 6.537 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.146 5.672 5.182 1.00 0.00 H new ATOM 0 HH TYR A 33 4.231 7.897 6.076 1.00 0.00 H new ATOM 583 N HIS A 34 2.736 2.457 10.250 1.00 0.00 N ATOM 584 CA HIS A 34 2.006 3.346 11.146 1.00 0.00 C ATOM 585 C HIS A 34 2.771 3.554 12.450 1.00 0.00 C ATOM 586 O HIS A 34 2.879 4.675 12.945 1.00 0.00 O ATOM 587 CB HIS A 34 0.617 2.778 11.443 1.00 0.00 C ATOM 588 CG HIS A 34 -0.419 3.173 10.437 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.405 2.316 9.994 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.620 4.343 9.785 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.167 2.941 9.114 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.711 4.171 8.969 1.00 0.00 N ATOM 0 H HIS A 34 2.310 1.539 10.127 1.00 0.00 H new ATOM 0 HA HIS A 34 1.899 4.311 10.650 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.679 1.690 11.481 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.300 3.114 12.430 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.032 5.243 9.888 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.018 2.518 8.601 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.105 4.880 8.350 1.00 0.00 H new ATOM 601 N GLN A 35 3.300 2.466 13.001 1.00 0.00 N ATOM 602 CA GLN A 35 4.052 2.530 14.249 1.00 0.00 C ATOM 603 C GLN A 35 5.441 3.121 14.026 1.00 0.00 C ATOM 604 O GLN A 35 5.927 3.912 14.833 1.00 0.00 O ATOM 605 CB GLN A 35 4.174 1.135 14.867 1.00 0.00 C ATOM 606 CG GLN A 35 2.958 0.721 15.680 1.00 0.00 C ATOM 607 CD GLN A 35 2.211 -0.446 15.065 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.667 -1.589 15.127 1.00 0.00 O ATOM 609 NE2 GLN A 35 1.061 -0.165 14.466 1.00 0.00 N ATOM 0 H GLN A 35 3.222 1.530 12.603 1.00 0.00 H new ATOM 0 HA GLN A 35 3.509 3.181 14.934 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.334 0.407 14.072 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.056 1.106 15.507 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.274 0.453 16.688 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.282 1.571 15.773 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.722 0.797 14.439 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.516 -0.911 14.033 1.00 0.00 H new ATOM 618 N THR A 36 6.074 2.726 12.929 1.00 0.00 N ATOM 619 CA THR A 36 7.411 3.209 12.599 1.00 0.00 C ATOM 620 C THR A 36 7.359 4.612 12.000 1.00 0.00 C ATOM 621 O THR A 36 8.235 5.439 12.258 1.00 0.00 O ATOM 622 CB THR A 36 8.095 2.252 11.622 1.00 0.00 C ATOM 623 OG1 THR A 36 7.333 2.119 10.435 1.00 0.00 O ATOM 624 CG2 THR A 36 8.304 0.865 12.191 1.00 0.00 C ATOM 0 H THR A 36 5.684 2.072 12.251 1.00 0.00 H new ATOM 0 HA THR A 36 7.988 3.252 13.523 1.00 0.00 H new ATOM 0 HB THR A 36 9.070 2.694 11.418 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.733 1.348 10.516 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.794 0.236 11.447 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.930 0.927 13.081 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.340 0.431 12.455 1.00 0.00 H new ATOM 632 N MET A 37 6.333 4.873 11.199 1.00 0.00 N ATOM 633 CA MET A 37 6.172 6.176 10.562 1.00 0.00 C ATOM 634 C MET A 37 7.347 6.479 9.638 1.00 0.00 C ATOM 635 O MET A 37 7.723 7.638 9.457 1.00 0.00 O ATOM 636 CB MET A 37 6.042 7.276 11.618 1.00 0.00 C ATOM 637 CG MET A 37 4.741 7.218 12.401 1.00 0.00 C ATOM 638 SD MET A 37 3.498 8.361 11.768 1.00 0.00 S ATOM 639 CE MET A 37 2.210 7.219 11.271 1.00 0.00 C ATOM 0 H MET A 37 5.600 4.200 10.975 1.00 0.00 H new ATOM 0 HA MET A 37 5.260 6.148 9.965 1.00 0.00 H new ATOM 0 HB2 MET A 37 6.878 7.201 12.313 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.119 8.247 11.130 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.346 6.203 12.367 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.941 7.448 13.448 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.460 7.749 10.685 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.644 6.421 10.668 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.742 6.791 12.157 1.00 0.00 H new ATOM 649 N ASP A 38 7.924 5.433 9.057 1.00 0.00 N ATOM 650 CA ASP A 38 9.058 5.590 8.152 1.00 0.00 C ATOM 651 C ASP A 38 8.623 5.429 6.699 1.00 0.00 C ATOM 652 O ASP A 38 8.501 4.311 6.197 1.00 0.00 O ATOM 653 CB ASP A 38 10.149 4.571 8.487 1.00 0.00 C ATOM 654 CG ASP A 38 11.163 5.113 9.476 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.741 5.647 10.523 1.00 0.00 O ATOM 656 OD2 ASP A 38 12.376 5.003 9.203 1.00 0.00 O ATOM 0 H ASP A 38 7.626 4.468 9.196 1.00 0.00 H new ATOM 0 HA ASP A 38 9.457 6.596 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.689 3.672 8.898 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.661 4.276 7.571 1.00 0.00 H new ATOM 661 N VAL A 39 8.391 6.552 6.029 1.00 0.00 N ATOM 662 CA VAL A 39 7.971 6.534 4.632 1.00 0.00 C ATOM 663 C VAL A 39 9.065 5.963 3.737 1.00 0.00 C ATOM 664 O VAL A 39 8.785 5.225 2.792 1.00 0.00 O ATOM 665 CB VAL A 39 7.603 7.946 4.135 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.926 7.873 2.775 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.712 8.654 5.147 1.00 0.00 C ATOM 0 H VAL A 39 8.486 7.485 6.429 1.00 0.00 H new ATOM 0 HA VAL A 39 7.088 5.897 4.577 1.00 0.00 H new ATOM 0 HB VAL A 39 8.520 8.525 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.673 8.879 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.602 7.410 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.016 7.277 2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.463 9.649 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.796 8.080 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.238 8.740 6.098 1.00 0.00 H new ATOM 677 N ALA A 40 10.312 6.310 4.041 1.00 0.00 N ATOM 678 CA ALA A 40 11.449 5.833 3.264 1.00 0.00 C ATOM 679 C ALA A 40 11.512 4.308 3.260 1.00 0.00 C ATOM 680 O ALA A 40 11.826 3.692 2.242 1.00 0.00 O ATOM 681 CB ALA A 40 12.743 6.418 3.813 1.00 0.00 C ATOM 0 H ALA A 40 10.560 6.920 4.820 1.00 0.00 H new ATOM 0 HA ALA A 40 11.321 6.165 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.585 6.054 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.703 7.506 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.868 6.113 4.852 1.00 0.00 H new ATOM 687 N VAL A 41 11.212 3.706 4.407 1.00 0.00 N ATOM 688 CA VAL A 41 11.234 2.254 4.534 1.00 0.00 C ATOM 689 C VAL A 41 10.045 1.623 3.819 1.00 0.00 C ATOM 690 O VAL A 41 10.160 0.548 3.230 1.00 0.00 O ATOM 691 CB VAL A 41 11.221 1.817 6.012 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.411 0.312 6.129 1.00 0.00 C ATOM 693 CG2 VAL A 41 12.293 2.559 6.798 1.00 0.00 C ATOM 0 H VAL A 41 10.951 4.201 5.260 1.00 0.00 H new ATOM 0 HA VAL A 41 12.159 1.910 4.071 1.00 0.00 H new ATOM 0 HB VAL A 41 10.249 2.070 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.399 0.024 7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.604 -0.199 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.367 0.030 5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.269 2.238 7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.273 2.340 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.106 3.632 6.745 1.00 0.00 H new ATOM 703 N LEU A 42 8.904 2.299 3.876 1.00 0.00 N ATOM 704 CA LEU A 42 7.690 1.806 3.233 1.00 0.00 C ATOM 705 C LEU A 42 7.883 1.686 1.725 1.00 0.00 C ATOM 706 O LEU A 42 7.432 0.720 1.107 1.00 0.00 O ATOM 707 CB LEU A 42 6.515 2.736 3.536 1.00 0.00 C ATOM 708 CG LEU A 42 5.164 2.271 2.991 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.744 0.966 3.651 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.107 3.344 3.202 1.00 0.00 C ATOM 0 H LEU A 42 8.793 3.190 4.360 1.00 0.00 H new ATOM 0 HA LEU A 42 7.473 0.815 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.433 2.853 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.736 3.721 3.125 1.00 0.00 H new ATOM 0 HG LEU A 42 5.265 2.096 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.780 0.650 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.491 0.199 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.659 1.114 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.152 2.996 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.007 3.551 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.404 4.255 2.682 1.00 0.00 H new ATOM 722 N VAL A 43 8.554 2.671 1.136 1.00 0.00 N ATOM 723 CA VAL A 43 8.803 2.672 -0.300 1.00 0.00 C ATOM 724 C VAL A 43 9.720 1.522 -0.701 1.00 0.00 C ATOM 725 O VAL A 43 9.516 0.883 -1.735 1.00 0.00 O ATOM 726 CB VAL A 43 9.432 4.000 -0.761 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.516 4.053 -2.280 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.642 5.184 -0.221 1.00 0.00 C ATOM 0 H VAL A 43 8.934 3.478 1.631 1.00 0.00 H new ATOM 0 HA VAL A 43 7.836 2.548 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 43 10.445 4.058 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.963 4.999 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.130 3.228 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.515 3.971 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.103 6.113 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.616 5.134 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.641 5.154 0.869 1.00 0.00 H new ATOM 738 N GLY A 44 10.729 1.260 0.123 1.00 0.00 N ATOM 739 CA GLY A 44 11.661 0.185 -0.163 1.00 0.00 C ATOM 740 C GLY A 44 10.982 -1.167 -0.237 1.00 0.00 C ATOM 741 O GLY A 44 11.074 -1.862 -1.249 1.00 0.00 O ATOM 0 H GLY A 44 10.918 1.773 0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.165 0.387 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.430 0.160 0.609 1.00 0.00 H new ATOM 745 N ASP A 45 10.299 -1.543 0.839 1.00 0.00 N ATOM 746 CA ASP A 45 9.601 -2.821 0.895 1.00 0.00 C ATOM 747 C ASP A 45 8.546 -2.913 -0.203 1.00 0.00 C ATOM 748 O ASP A 45 8.437 -3.929 -0.891 1.00 0.00 O ATOM 749 CB ASP A 45 8.946 -3.009 2.264 1.00 0.00 C ATOM 750 CG ASP A 45 8.904 -4.462 2.693 1.00 0.00 C ATOM 751 OD1 ASP A 45 8.390 -5.295 1.916 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.385 -4.768 3.804 1.00 0.00 O ATOM 0 H ASP A 45 10.214 -0.980 1.685 1.00 0.00 H new ATOM 0 HA ASP A 45 10.333 -3.613 0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.493 -2.430 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.931 -2.613 2.235 1.00 0.00 H new ATOM 757 N LEU A 46 7.771 -1.844 -0.362 1.00 0.00 N ATOM 758 CA LEU A 46 6.724 -1.804 -1.376 1.00 0.00 C ATOM 759 C LEU A 46 7.302 -2.029 -2.769 1.00 0.00 C ATOM 760 O LEU A 46 6.628 -2.558 -3.652 1.00 0.00 O ATOM 761 CB LEU A 46 5.988 -0.463 -1.327 1.00 0.00 C ATOM 762 CG LEU A 46 4.885 -0.369 -0.271 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.373 1.057 -0.160 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.748 -1.323 -0.603 1.00 0.00 C ATOM 0 H LEU A 46 7.849 -0.995 0.198 1.00 0.00 H new ATOM 0 HA LEU A 46 6.018 -2.607 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.716 0.327 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.550 -0.270 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 46 5.305 -0.657 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.589 1.104 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.192 1.717 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.970 1.375 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.972 -1.243 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.329 -1.066 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.126 -2.345 -0.630 1.00 0.00 H new ATOM 776 N LYS A 47 8.553 -1.628 -2.961 1.00 0.00 N ATOM 777 CA LYS A 47 9.216 -1.793 -4.248 1.00 0.00 C ATOM 778 C LYS A 47 9.596 -3.252 -4.484 1.00 0.00 C ATOM 779 O LYS A 47 9.262 -3.833 -5.516 1.00 0.00 O ATOM 780 CB LYS A 47 10.463 -0.908 -4.322 1.00 0.00 C ATOM 781 CG LYS A 47 10.505 -0.019 -5.554 1.00 0.00 C ATOM 782 CD LYS A 47 10.117 1.414 -5.224 1.00 0.00 C ATOM 783 CE LYS A 47 10.979 2.412 -5.981 1.00 0.00 C ATOM 784 NZ LYS A 47 10.308 3.736 -6.113 1.00 0.00 N ATOM 0 H LYS A 47 9.128 -1.187 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 47 8.518 -1.489 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.508 -0.282 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.350 -1.542 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.508 -0.036 -5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.829 -0.414 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.068 1.575 -5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.219 1.582 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.930 2.537 -5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.205 2.019 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.927 4.389 -6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.412 3.621 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.115 4.123 -5.167 1.00 0.00 H new ATOM 798 N LEU A 48 10.300 -3.836 -3.520 1.00 0.00 N ATOM 799 CA LEU A 48 10.733 -5.226 -3.620 1.00 0.00 C ATOM 800 C LEU A 48 9.556 -6.158 -3.902 1.00 0.00 C ATOM 801 O LEU A 48 9.704 -7.165 -4.595 1.00 0.00 O ATOM 802 CB LEU A 48 11.433 -5.655 -2.330 1.00 0.00 C ATOM 803 CG LEU A 48 12.580 -4.745 -1.883 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.592 -4.602 -0.368 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.911 -5.285 -2.382 1.00 0.00 C ATOM 0 H LEU A 48 10.583 -3.368 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 48 11.431 -5.297 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.693 -5.701 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.821 -6.665 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 48 12.425 -3.757 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.414 -3.952 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.648 -4.169 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.722 -5.583 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.716 -4.627 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.073 -6.284 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.899 -5.332 -3.471 1.00 0.00 H new ATOM 817 N VAL A 49 8.392 -5.823 -3.357 1.00 0.00 N ATOM 818 CA VAL A 49 7.199 -6.639 -3.549 1.00 0.00 C ATOM 819 C VAL A 49 6.386 -6.169 -4.753 1.00 0.00 C ATOM 820 O VAL A 49 5.977 -6.973 -5.593 1.00 0.00 O ATOM 821 CB VAL A 49 6.314 -6.641 -2.280 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.393 -5.430 -2.226 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.515 -7.932 -2.186 1.00 0.00 C ATOM 0 H VAL A 49 8.249 -4.994 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 49 7.536 -7.658 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 49 6.979 -6.579 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.790 -5.472 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.990 -4.518 -2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.738 -5.432 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.899 -7.914 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.875 -8.028 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.198 -8.780 -2.141 1.00 0.00 H new ATOM 833 N ILE A 50 6.155 -4.864 -4.830 1.00 0.00 N ATOM 834 CA ILE A 50 5.388 -4.286 -5.932 1.00 0.00 C ATOM 835 C ILE A 50 6.291 -3.883 -7.097 1.00 0.00 C ATOM 836 O ILE A 50 5.915 -3.050 -7.923 1.00 0.00 O ATOM 837 CB ILE A 50 4.577 -3.053 -5.478 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.892 -3.322 -4.137 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.550 -2.677 -6.538 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.960 -2.212 -3.695 1.00 0.00 C ATOM 0 H ILE A 50 6.486 -4.185 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 50 4.700 -5.063 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 50 5.263 -2.216 -5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.327 -4.252 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.655 -3.470 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.985 -1.806 -6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.060 -2.443 -7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.868 -3.513 -6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.511 -2.474 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.523 -1.284 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.175 -2.079 -4.439 1.00 0.00 H new ATOM 852 N ASN A 51 7.481 -4.474 -7.165 1.00 0.00 N ATOM 853 CA ASN A 51 8.424 -4.169 -8.237 1.00 0.00 C ATOM 854 C ASN A 51 7.805 -4.466 -9.600 1.00 0.00 C ATOM 855 O ASN A 51 7.973 -3.700 -10.550 1.00 0.00 O ATOM 856 CB ASN A 51 9.710 -4.981 -8.057 1.00 0.00 C ATOM 857 CG ASN A 51 10.894 -4.112 -7.681 1.00 0.00 C ATOM 858 OD1 ASN A 51 11.050 -3.002 -8.190 1.00 0.00 O ATOM 859 ND2 ASN A 51 11.736 -4.614 -6.787 1.00 0.00 N ATOM 0 H ASN A 51 7.814 -5.165 -6.493 1.00 0.00 H new ATOM 0 HA ASN A 51 8.665 -3.107 -8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.556 -5.734 -7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.933 -5.514 -8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.552 -4.075 -6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.568 -5.539 -6.391 1.00 0.00 H new ATOM 866 N GLU A 52 7.089 -5.583 -9.685 1.00 0.00 N ATOM 867 CA GLU A 52 6.440 -5.991 -10.923 1.00 0.00 C ATOM 868 C GLU A 52 5.580 -4.861 -11.488 1.00 0.00 C ATOM 869 O GLU A 52 4.599 -4.449 -10.873 1.00 0.00 O ATOM 870 CB GLU A 52 5.577 -7.231 -10.683 1.00 0.00 C ATOM 871 CG GLU A 52 6.328 -8.375 -10.019 1.00 0.00 C ATOM 872 CD GLU A 52 6.153 -9.690 -10.753 1.00 0.00 C ATOM 873 OE1 GLU A 52 4.993 -10.070 -11.022 1.00 0.00 O ATOM 874 OE2 GLU A 52 7.174 -10.340 -11.059 1.00 0.00 O ATOM 0 H GLU A 52 6.944 -6.224 -8.905 1.00 0.00 H new ATOM 0 HA GLU A 52 7.217 -6.229 -11.650 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.726 -6.956 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.177 -7.575 -11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.389 -8.129 -9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.979 -8.487 -8.992 1.00 0.00 H new ATOM 881 N PRO A 53 5.943 -4.342 -12.674 1.00 0.00 N ATOM 882 CA PRO A 53 5.207 -3.257 -13.327 1.00 0.00 C ATOM 883 C PRO A 53 3.693 -3.447 -13.260 1.00 0.00 C ATOM 884 O PRO A 53 2.937 -2.478 -13.236 1.00 0.00 O ATOM 885 CB PRO A 53 5.694 -3.336 -14.772 1.00 0.00 C ATOM 886 CG PRO A 53 7.083 -3.868 -14.672 1.00 0.00 C ATOM 887 CD PRO A 53 7.107 -4.775 -13.469 1.00 0.00 C ATOM 0 HA PRO A 53 5.385 -2.294 -12.848 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.060 -3.992 -15.369 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.678 -2.356 -15.250 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.355 -4.414 -15.575 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.802 -3.057 -14.561 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.026 -5.823 -13.757 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.035 -4.670 -12.908 1.00 0.00 H new ATOM 895 N SER A 54 3.258 -4.703 -13.233 1.00 0.00 N ATOM 896 CA SER A 54 1.834 -5.016 -13.169 1.00 0.00 C ATOM 897 C SER A 54 1.242 -4.597 -11.825 1.00 0.00 C ATOM 898 O SER A 54 0.061 -4.261 -11.732 1.00 0.00 O ATOM 899 CB SER A 54 1.610 -6.511 -13.393 1.00 0.00 C ATOM 900 OG SER A 54 1.829 -6.864 -14.748 1.00 0.00 O ATOM 0 H SER A 54 3.869 -5.519 -13.254 1.00 0.00 H new ATOM 0 HA SER A 54 1.330 -4.457 -13.957 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.282 -7.082 -12.752 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.593 -6.776 -13.105 1.00 0.00 H new ATOM 0 HG SER A 54 1.681 -7.826 -14.864 1.00 0.00 H new ATOM 906 N ARG A 55 2.070 -4.627 -10.785 1.00 0.00 N ATOM 907 CA ARG A 55 1.634 -4.257 -9.442 1.00 0.00 C ATOM 908 C ARG A 55 1.807 -2.759 -9.187 1.00 0.00 C ATOM 909 O ARG A 55 1.355 -2.244 -8.165 1.00 0.00 O ATOM 910 CB ARG A 55 2.420 -5.051 -8.396 1.00 0.00 C ATOM 911 CG ARG A 55 2.205 -6.553 -8.476 1.00 0.00 C ATOM 912 CD ARG A 55 3.326 -7.311 -7.781 1.00 0.00 C ATOM 913 NE ARG A 55 3.273 -8.745 -8.060 1.00 0.00 N ATOM 914 CZ ARG A 55 2.494 -9.602 -7.403 1.00 0.00 C ATOM 915 NH1 ARG A 55 1.696 -9.175 -6.431 1.00 0.00 N ATOM 916 NH2 ARG A 55 2.513 -10.889 -7.720 1.00 0.00 N ATOM 0 H ARG A 55 3.050 -4.905 -10.847 1.00 0.00 H new ATOM 0 HA ARG A 55 0.573 -4.495 -9.362 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.482 -4.839 -8.516 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.136 -4.705 -7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.250 -6.811 -8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.150 -6.859 -9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.288 -6.914 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.261 -7.148 -6.705 1.00 0.00 H new ATOM 0 HE ARG A 55 3.869 -9.111 -8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.677 -8.186 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.102 -9.837 -5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.124 -11.221 -8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.917 -11.547 -7.218 1.00 0.00 H new ATOM 930 N LEU A 56 2.468 -2.062 -10.111 1.00 0.00 N ATOM 931 CA LEU A 56 2.698 -0.627 -9.966 1.00 0.00 C ATOM 932 C LEU A 56 1.391 0.125 -9.706 1.00 0.00 C ATOM 933 O LEU A 56 1.305 0.923 -8.773 1.00 0.00 O ATOM 934 CB LEU A 56 3.387 -0.066 -11.211 1.00 0.00 C ATOM 935 CG LEU A 56 4.915 -0.115 -11.183 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.483 0.181 -12.563 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.461 0.868 -10.157 1.00 0.00 C ATOM 0 H LEU A 56 2.852 -2.467 -10.965 1.00 0.00 H new ATOM 0 HA LEU A 56 3.349 -0.483 -9.104 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.037 -0.620 -12.082 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.074 0.970 -11.345 1.00 0.00 H new ATOM 0 HG LEU A 56 5.223 -1.120 -10.894 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.572 0.142 -12.524 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.118 -0.561 -13.273 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.167 1.174 -12.881 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.550 0.820 -10.150 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.144 1.878 -10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.081 0.611 -9.168 1.00 0.00 H new ATOM 949 N PRO A 57 0.352 -0.117 -10.526 1.00 0.00 N ATOM 950 CA PRO A 57 -0.947 0.548 -10.369 1.00 0.00 C ATOM 951 C PRO A 57 -1.480 0.452 -8.941 1.00 0.00 C ATOM 952 O PRO A 57 -2.274 1.287 -8.508 1.00 0.00 O ATOM 953 CB PRO A 57 -1.857 -0.217 -11.329 1.00 0.00 C ATOM 954 CG PRO A 57 -0.941 -0.761 -12.368 1.00 0.00 C ATOM 955 CD PRO A 57 0.358 -1.054 -11.668 1.00 0.00 C ATOM 0 HA PRO A 57 -0.885 1.616 -10.579 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.392 -1.016 -10.815 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.609 0.438 -11.768 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.354 -1.664 -12.817 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.796 -0.042 -13.174 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.410 -2.091 -11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.214 -0.885 -12.322 1.00 0.00 H new ATOM 963 N LEU A 58 -1.039 -0.571 -8.216 1.00 0.00 N ATOM 964 CA LEU A 58 -1.474 -0.778 -6.840 1.00 0.00 C ATOM 965 C LEU A 58 -1.159 0.437 -5.973 1.00 0.00 C ATOM 966 O LEU A 58 -1.887 0.740 -5.029 1.00 0.00 O ATOM 967 CB LEU A 58 -0.801 -2.023 -6.255 1.00 0.00 C ATOM 968 CG LEU A 58 -1.639 -2.793 -5.234 1.00 0.00 C ATOM 969 CD1 LEU A 58 -2.107 -1.868 -4.121 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.825 -3.459 -5.912 1.00 0.00 C ATOM 0 H LEU A 58 -0.380 -1.270 -8.559 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.554 -0.922 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.544 -2.696 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.134 -1.723 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.016 -3.571 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.702 -2.434 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.241 -1.439 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.714 -1.067 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.410 -4.002 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.450 -2.699 -6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.467 -4.154 -6.672 1.00 0.00 H new ATOM 982 N PHE A 59 -0.069 1.129 -6.299 1.00 0.00 N ATOM 983 CA PHE A 59 0.344 2.312 -5.545 1.00 0.00 C ATOM 984 C PHE A 59 -0.816 3.287 -5.366 1.00 0.00 C ATOM 985 O PHE A 59 -0.942 3.939 -4.327 1.00 0.00 O ATOM 986 CB PHE A 59 1.503 3.014 -6.256 1.00 0.00 C ATOM 987 CG PHE A 59 2.859 2.515 -5.843 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.279 1.243 -6.194 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.712 3.319 -5.103 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.526 0.781 -5.816 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.959 2.863 -4.722 1.00 0.00 C ATOM 992 CZ PHE A 59 5.367 1.592 -5.079 1.00 0.00 C ATOM 0 H PHE A 59 0.544 0.892 -7.079 1.00 0.00 H new ATOM 0 HA PHE A 59 0.670 1.982 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.390 2.883 -7.332 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.444 4.084 -6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.625 0.605 -6.770 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.398 4.313 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.842 -0.213 -6.097 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.614 3.499 -4.146 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.342 1.233 -4.782 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.666 3.378 -6.385 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.819 4.271 -6.340 1.00 0.00 C ATOM 1004 C ASP A 60 -3.660 4.009 -5.096 1.00 0.00 C ATOM 1005 O ASP A 60 -4.021 4.934 -4.374 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.673 4.101 -7.598 1.00 0.00 C ATOM 1007 CG ASP A 60 -4.033 5.429 -8.236 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -4.720 6.236 -7.578 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -3.628 5.660 -9.395 1.00 0.00 O ATOM 0 H ASP A 60 -1.578 2.845 -7.250 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.453 5.297 -6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.133 3.488 -8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.587 3.564 -7.344 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.967 2.741 -4.859 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.765 2.341 -3.704 1.00 0.00 C ATOM 1016 C ALA A 61 -3.980 2.474 -2.399 1.00 0.00 C ATOM 1017 O ALA A 61 -4.564 2.510 -1.318 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.257 0.913 -3.879 1.00 0.00 C ATOM 0 H ALA A 61 -3.674 1.966 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.621 3.013 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.851 0.624 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.870 0.847 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.403 0.243 -3.973 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.655 2.545 -2.503 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.805 2.669 -1.322 1.00 0.00 C ATOM 1026 C ILE A 62 -1.868 4.077 -0.733 1.00 0.00 C ATOM 1027 O ILE A 62 -1.853 4.247 0.487 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.335 2.322 -1.643 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.244 0.925 -2.259 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.525 2.411 -0.389 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.644 -0.183 -1.309 1.00 0.00 C ATOM 0 H ILE A 62 -2.149 2.519 -3.388 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.187 1.958 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 62 0.042 3.046 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.883 0.884 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.778 0.752 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.557 2.163 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.482 3.424 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.153 1.710 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.555 -1.145 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.010 -0.169 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.676 -0.035 -0.991 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.926 5.084 -1.599 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.979 6.473 -1.144 1.00 0.00 C ATOM 1045 C ARG A 63 -3.177 6.710 -0.219 1.00 0.00 C ATOM 1046 O ARG A 63 -3.015 7.204 0.896 1.00 0.00 O ATOM 1047 CB ARG A 63 -2.025 7.436 -2.335 1.00 0.00 C ATOM 1048 CG ARG A 63 -1.093 7.045 -3.474 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.073 8.135 -3.765 1.00 0.00 C ATOM 1050 NE ARG A 63 0.322 8.152 -5.171 1.00 0.00 N ATOM 1051 CZ ARG A 63 1.464 8.670 -5.616 1.00 0.00 C ATOM 1052 NH1 ARG A 63 2.327 9.220 -4.772 1.00 0.00 N ATOM 1053 NH2 ARG A 63 1.744 8.639 -6.912 1.00 0.00 N ATOM 0 H ARG A 63 -1.938 4.968 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.069 6.668 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.046 7.484 -2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.765 8.437 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.575 6.120 -3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.679 6.846 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.491 9.105 -3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.809 7.982 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.316 7.742 -5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.117 9.248 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.200 9.615 -5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.084 8.218 -7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.619 9.036 -7.254 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.400 6.358 -0.667 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.620 6.531 0.129 1.00 0.00 C ATOM 1069 C PRO A 64 -5.423 6.173 1.599 1.00 0.00 C ATOM 1070 O PRO A 64 -5.752 6.958 2.489 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.592 5.556 -0.529 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.184 5.533 -1.960 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.693 5.759 -1.983 1.00 0.00 C ATOM 0 HA PRO A 64 -5.958 7.567 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.524 4.565 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.624 5.887 -0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.439 4.579 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.703 6.308 -2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.150 4.825 -2.125 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.403 6.423 -2.797 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.880 4.987 1.848 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.633 4.529 3.209 1.00 0.00 C ATOM 1083 C LEU A 65 -3.576 5.398 3.872 1.00 0.00 C ATOM 1084 O LEU A 65 -3.650 5.693 5.066 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.183 3.066 3.209 1.00 0.00 C ATOM 1086 CG LEU A 65 -5.217 2.071 2.679 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.546 0.765 2.284 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -6.298 1.825 3.721 1.00 0.00 C ATOM 0 H LEU A 65 -4.602 4.325 1.124 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.562 4.608 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.277 2.980 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.918 2.783 4.228 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.685 2.497 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.297 0.069 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.808 0.956 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.052 0.332 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.026 1.115 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.846 1.419 4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.798 2.765 3.956 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.593 5.806 3.080 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.510 6.644 3.565 1.00 0.00 C ATOM 1102 C ILE A 66 -2.028 8.036 3.944 1.00 0.00 C ATOM 1103 O ILE A 66 -2.597 8.740 3.107 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.398 6.759 2.494 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.705 5.735 2.764 1.00 0.00 C ATOM 1106 CG2 ILE A 66 0.185 8.164 2.438 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.372 5.219 1.507 1.00 0.00 C ATOM 0 H ILE A 66 -2.526 5.566 2.091 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.091 6.179 4.458 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.848 6.550 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.460 6.187 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.282 4.894 3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.962 8.205 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.603 8.875 2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.614 8.419 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.144 4.497 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.628 4.737 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.825 6.051 0.968 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.840 8.458 5.210 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.294 9.767 5.682 1.00 0.00 C ATOM 1121 C PRO A 67 -1.885 10.899 4.741 1.00 0.00 C ATOM 1122 O PRO A 67 -0.947 10.761 3.956 1.00 0.00 O ATOM 1123 CB PRO A 67 -1.618 9.933 7.054 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.683 8.775 7.201 1.00 0.00 C ATOM 1125 CD PRO A 67 -1.179 7.698 6.279 1.00 0.00 C ATOM 0 HA PRO A 67 -3.382 9.816 5.732 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.079 10.878 7.110 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.358 9.940 7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.336 9.065 6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.663 8.422 8.232 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.362 7.088 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.871 7.023 6.782 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.609 12.012 4.819 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.338 13.173 3.965 1.00 0.00 C ATOM 1135 C LEU A 68 -0.857 13.554 3.994 1.00 0.00 C ATOM 1136 O LEU A 68 -0.153 13.406 2.994 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.187 14.391 4.372 1.00 0.00 C ATOM 1138 CG LEU A 68 -4.081 14.220 5.606 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -3.241 14.083 6.868 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -5.037 15.397 5.731 1.00 0.00 C ATOM 0 H LEU A 68 -3.389 12.138 5.464 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.610 12.882 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.515 15.231 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.820 14.663 3.527 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.663 13.307 5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.897 13.963 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.593 13.211 6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.631 14.977 6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.666 15.263 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.466 16.320 5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.665 15.452 4.842 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.393 14.048 5.139 1.00 0.00 N ATOM 1153 CA LYS A 69 1.003 14.455 5.293 1.00 0.00 C ATOM 1154 C LYS A 69 1.949 13.416 4.702 1.00 0.00 C ATOM 1155 O LYS A 69 2.887 13.752 3.975 1.00 0.00 O ATOM 1156 CB LYS A 69 1.331 14.674 6.772 1.00 0.00 C ATOM 1157 CG LYS A 69 0.898 13.524 7.666 1.00 0.00 C ATOM 1158 CD LYS A 69 0.583 14.001 9.074 1.00 0.00 C ATOM 1159 CE LYS A 69 0.964 12.960 10.113 1.00 0.00 C ATOM 1160 NZ LYS A 69 0.054 12.992 11.292 1.00 0.00 N ATOM 0 H LYS A 69 -0.963 14.177 5.975 1.00 0.00 H new ATOM 0 HA LYS A 69 1.140 15.391 4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.405 14.823 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.847 15.590 7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.019 13.041 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.688 12.773 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.119 14.929 9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.481 14.224 9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.937 11.969 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.989 13.133 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.348 12.267 11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.099 13.930 11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.921 12.802 10.983 1.00 0.00 H new ATOM 1174 N HIS A 70 1.691 12.149 5.010 1.00 0.00 N ATOM 1175 CA HIS A 70 2.515 11.061 4.502 1.00 0.00 C ATOM 1176 C HIS A 70 2.369 10.941 2.991 1.00 0.00 C ATOM 1177 O HIS A 70 3.317 10.589 2.292 1.00 0.00 O ATOM 1178 CB HIS A 70 2.134 9.743 5.173 1.00 0.00 C ATOM 1179 CG HIS A 70 2.684 9.600 6.559 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.778 8.388 7.212 1.00 0.00 N ATOM 1181 CD2 HIS A 70 3.173 10.525 7.418 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.298 8.575 8.412 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.549 9.863 8.561 1.00 0.00 N ATOM 0 H HIS A 70 0.919 11.852 5.608 1.00 0.00 H new ATOM 0 HA HIS A 70 3.556 11.283 4.735 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.048 9.664 5.211 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.492 8.915 4.561 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.491 7.488 6.828 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.253 11.587 7.238 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.486 7.806 9.146 1.00 0.00 H new ATOM 1192 N GLN A 71 1.174 11.246 2.492 1.00 0.00 N ATOM 1193 CA GLN A 71 0.907 11.182 1.061 1.00 0.00 C ATOM 1194 C GLN A 71 1.808 12.157 0.314 1.00 0.00 C ATOM 1195 O GLN A 71 2.435 11.803 -0.685 1.00 0.00 O ATOM 1196 CB GLN A 71 -0.564 11.499 0.778 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.340 10.324 0.203 1.00 0.00 C ATOM 1198 CD GLN A 71 -2.332 10.747 -0.862 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -1.975 10.908 -2.030 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -3.586 10.930 -0.465 1.00 0.00 N ATOM 0 H GLN A 71 0.377 11.539 3.058 1.00 0.00 H new ATOM 0 HA GLN A 71 1.118 10.171 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.042 11.822 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.619 12.336 0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.640 9.604 -0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.871 9.815 1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.838 10.785 0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.298 11.215 -1.138 1.00 0.00 H new ATOM 1209 N VAL A 72 1.872 13.383 0.814 1.00 0.00 N ATOM 1210 CA VAL A 72 2.699 14.417 0.208 1.00 0.00 C ATOM 1211 C VAL A 72 4.159 13.984 0.171 1.00 0.00 C ATOM 1212 O VAL A 72 4.802 14.017 -0.879 1.00 0.00 O ATOM 1213 CB VAL A 72 2.590 15.749 0.976 1.00 0.00 C ATOM 1214 CG1 VAL A 72 3.306 16.859 0.226 1.00 0.00 C ATOM 1215 CG2 VAL A 72 1.131 16.109 1.212 1.00 0.00 C ATOM 0 H VAL A 72 1.359 13.687 1.641 1.00 0.00 H new ATOM 0 HA VAL A 72 2.334 14.566 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 72 3.073 15.629 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.218 17.791 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.359 16.602 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.856 16.982 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.072 17.052 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.622 16.210 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.652 15.323 1.796 1.00 0.00 H new ATOM 1225 N GLU A 73 4.679 13.572 1.323 1.00 0.00 N ATOM 1226 CA GLU A 73 6.062 13.128 1.415 1.00 0.00 C ATOM 1227 C GLU A 73 6.285 11.888 0.560 1.00 0.00 C ATOM 1228 O GLU A 73 7.325 11.745 -0.083 1.00 0.00 O ATOM 1229 CB GLU A 73 6.439 12.838 2.869 1.00 0.00 C ATOM 1230 CG GLU A 73 7.888 13.159 3.198 1.00 0.00 C ATOM 1231 CD GLU A 73 8.651 11.952 3.713 1.00 0.00 C ATOM 1232 OE1 GLU A 73 8.079 11.190 4.521 1.00 0.00 O ATOM 1233 OE2 GLU A 73 9.817 11.772 3.307 1.00 0.00 O ATOM 0 H GLU A 73 4.164 13.537 2.203 1.00 0.00 H new ATOM 0 HA GLU A 73 6.701 13.929 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.789 13.416 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.252 11.785 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.383 13.543 2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.920 13.951 3.946 1.00 0.00 H new ATOM 1240 N TYR A 74 5.296 10.999 0.540 1.00 0.00 N ATOM 1241 CA TYR A 74 5.389 9.783 -0.257 1.00 0.00 C ATOM 1242 C TYR A 74 5.690 10.143 -1.706 1.00 0.00 C ATOM 1243 O TYR A 74 6.481 9.479 -2.376 1.00 0.00 O ATOM 1244 CB TYR A 74 4.089 8.982 -0.173 1.00 0.00 C ATOM 1245 CG TYR A 74 4.233 7.546 -0.626 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.067 7.198 -1.961 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.539 6.541 0.281 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.198 5.887 -2.377 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.674 5.226 -0.128 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.503 4.905 -1.457 1.00 0.00 C ATOM 1251 OH TYR A 74 4.635 3.599 -1.868 1.00 0.00 O ATOM 0 H TYR A 74 4.426 11.098 1.064 1.00 0.00 H new ATOM 0 HA TYR A 74 6.197 9.166 0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.729 8.995 0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.330 9.472 -0.782 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.832 7.964 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.674 6.789 1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.062 5.632 -3.418 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.912 4.456 0.590 1.00 0.00 H new ATOM 0 HH TYR A 74 4.350 3.520 -2.802 1.00 0.00 H new ATOM 1261 N ASP A 75 5.063 11.217 -2.170 1.00 0.00 N ATOM 1262 CA ASP A 75 5.268 11.697 -3.528 1.00 0.00 C ATOM 1263 C ASP A 75 6.644 12.339 -3.662 1.00 0.00 C ATOM 1264 O ASP A 75 7.277 12.261 -4.715 1.00 0.00 O ATOM 1265 CB ASP A 75 4.181 12.703 -3.910 1.00 0.00 C ATOM 1266 CG ASP A 75 2.791 12.098 -3.861 1.00 0.00 C ATOM 1267 OD1 ASP A 75 2.583 11.152 -3.073 1.00 0.00 O ATOM 1268 OD2 ASP A 75 1.909 12.574 -4.609 1.00 0.00 O ATOM 0 H ASP A 75 4.406 11.773 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 75 5.210 10.845 -4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.227 13.557 -3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.375 13.080 -4.914 1.00 0.00 H new ATOM 1273 N GLN A 76 7.104 12.974 -2.585 1.00 0.00 N ATOM 1274 CA GLN A 76 8.408 13.627 -2.585 1.00 0.00 C ATOM 1275 C GLN A 76 9.530 12.604 -2.729 1.00 0.00 C ATOM 1276 O GLN A 76 10.592 12.906 -3.270 1.00 0.00 O ATOM 1277 CB GLN A 76 8.597 14.433 -1.299 1.00 0.00 C ATOM 1278 CG GLN A 76 7.861 15.763 -1.301 1.00 0.00 C ATOM 1279 CD GLN A 76 8.716 16.905 -0.787 1.00 0.00 C ATOM 1280 OE1 GLN A 76 9.026 17.844 -1.520 1.00 0.00 O ATOM 1281 NE2 GLN A 76 9.101 16.831 0.482 1.00 0.00 N ATOM 0 H GLN A 76 6.594 13.049 -1.705 1.00 0.00 H new ATOM 0 HA GLN A 76 8.448 14.304 -3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.253 13.838 -0.453 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.661 14.616 -1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.531 15.989 -2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.966 15.679 -0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.821 16.034 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.676 17.571 0.884 1.00 0.00 H new ATOM 1290 N LEU A 77 9.286 11.390 -2.241 1.00 0.00 N ATOM 1291 CA LEU A 77 10.276 10.323 -2.316 1.00 0.00 C ATOM 1292 C LEU A 77 10.141 9.547 -3.621 1.00 0.00 C ATOM 1293 O LEU A 77 11.137 9.207 -4.259 1.00 0.00 O ATOM 1294 CB LEU A 77 10.126 9.372 -1.127 1.00 0.00 C ATOM 1295 CG LEU A 77 10.309 10.019 0.248 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.333 9.426 1.252 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.741 9.847 0.730 1.00 0.00 C ATOM 0 H LEU A 77 8.411 11.123 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 77 11.266 10.779 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.137 8.916 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.853 8.566 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 77 10.101 11.085 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.478 9.899 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.312 9.600 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.508 8.354 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.854 10.313 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.975 8.785 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.422 10.320 0.023 1.00 0.00 H new ATOM 1309 N THR A 78 8.904 9.268 -4.008 1.00 0.00 N ATOM 1310 CA THR A 78 8.631 8.530 -5.236 1.00 0.00 C ATOM 1311 C THR A 78 8.923 9.393 -6.465 1.00 0.00 C ATOM 1312 O THR A 78 8.233 10.381 -6.712 1.00 0.00 O ATOM 1313 CB THR A 78 7.174 8.063 -5.262 1.00 0.00 C ATOM 1314 OG1 THR A 78 6.297 9.168 -5.398 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.767 7.304 -4.018 1.00 0.00 C ATOM 0 H THR A 78 8.070 9.542 -3.488 1.00 0.00 H new ATOM 0 HA THR A 78 9.285 7.658 -5.261 1.00 0.00 H new ATOM 0 HB THR A 78 7.100 7.392 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.777 9.918 -5.808 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.723 7.002 -4.101 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.394 6.419 -3.911 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.891 7.944 -3.144 1.00 0.00 H new