USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 10 TYR OH : rot 1:sc= 1.33 USER MOD Set 1.2: A 73 TYR OH : rot 30:sc= -0.332 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.1 F(o=-4.8!,f=-1.1) USER MOD Single : A 6 MET CE :methyl -161:sc= -0.18 (180deg=-0.775) USER MOD Single : A 11 MET CE :methyl 146:sc= -2.02! (180deg=-2.46!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 177:sc= -4.84! (180deg=-4.94!) USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= -0.0363 (180deg=-0.225) USER MOD Single : A 42 GLN : amide:sc= -2.23 K(o=-2.2,f=-3.9!) USER MOD Single : A 51 THR OG1 : rot 60:sc= 1.28 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.678 F(o=-1.9!,f=-0.68) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 166:sc= -0.0527 (180deg=-0.366) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 5 -4.017 -24.181 -0.116 1.00 0.00 N ATOM 69 CA ASN A 5 -2.738 -23.638 0.287 1.00 0.00 C ATOM 70 C ASN A 5 -2.268 -22.629 -0.743 1.00 0.00 C ATOM 71 O ASN A 5 -2.177 -21.433 -0.464 1.00 0.00 O ATOM 72 CB ASN A 5 -1.713 -24.766 0.435 1.00 0.00 C ATOM 73 CG ASN A 5 -0.402 -24.331 1.082 1.00 0.00 C ATOM 74 OD1 ASN A 5 -0.318 -23.078 1.525 1.00 0.00 O flip ATOM 75 ND2 ASN A 5 0.530 -25.126 1.193 1.00 0.00 N flip ATOM 0 HA ASN A 5 -2.844 -23.139 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.152 -25.567 1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.500 -25.181 -0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.432 -26.079 0.843 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.401 -24.832 1.636 1.00 0.00 H new ATOM 82 N MET A 6 -2.000 -23.117 -1.948 1.00 0.00 N ATOM 83 CA MET A 6 -1.571 -22.260 -3.037 1.00 0.00 C ATOM 84 C MET A 6 -2.539 -21.092 -3.181 1.00 0.00 C ATOM 85 O MET A 6 -2.154 -19.986 -3.572 1.00 0.00 O ATOM 86 CB MET A 6 -1.516 -23.058 -4.341 1.00 0.00 C ATOM 87 CG MET A 6 -0.641 -24.299 -4.260 1.00 0.00 C ATOM 88 SD MET A 6 -0.586 -25.210 -5.815 1.00 0.00 S ATOM 89 CE MET A 6 -2.318 -25.604 -6.040 1.00 0.00 C ATOM 0 H MET A 6 -2.074 -24.105 -2.192 1.00 0.00 H new ATOM 0 HA MET A 6 -0.575 -21.875 -2.819 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.528 -23.355 -4.618 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.144 -22.413 -5.137 1.00 0.00 H new ATOM 0 HG2 MET A 6 0.371 -24.008 -3.977 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.016 -24.953 -3.473 1.00 0.00 H new ATOM 0 HE1 MET A 6 -2.415 -26.428 -6.747 1.00 0.00 H new ATOM 0 HE2 MET A 6 -2.753 -25.893 -5.083 1.00 0.00 H new ATOM 0 HE3 MET A 6 -2.842 -24.731 -6.427 1.00 0.00 H new ATOM 99 N ASP A 7 -3.801 -21.351 -2.843 1.00 0.00 N ATOM 100 CA ASP A 7 -4.840 -20.335 -2.914 1.00 0.00 C ATOM 101 C ASP A 7 -4.665 -19.326 -1.788 1.00 0.00 C ATOM 102 O ASP A 7 -4.894 -18.131 -1.970 1.00 0.00 O ATOM 103 CB ASP A 7 -6.223 -20.983 -2.831 1.00 0.00 C ATOM 104 CG ASP A 7 -7.346 -19.965 -2.904 1.00 0.00 C ATOM 105 OD1 ASP A 7 -7.404 -19.082 -2.023 1.00 0.00 O ATOM 106 OD2 ASP A 7 -8.166 -20.053 -3.842 1.00 0.00 O ATOM 0 H ASP A 7 -4.126 -22.261 -2.516 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.755 -19.815 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.334 -21.701 -3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.304 -21.542 -1.899 1.00 0.00 H new ATOM 111 N LEU A 8 -4.252 -19.818 -0.626 1.00 0.00 N ATOM 112 CA LEU A 8 -4.037 -18.964 0.531 1.00 0.00 C ATOM 113 C LEU A 8 -2.846 -18.044 0.299 1.00 0.00 C ATOM 114 O LEU A 8 -2.925 -16.842 0.541 1.00 0.00 O ATOM 115 CB LEU A 8 -3.810 -19.809 1.786 1.00 0.00 C ATOM 116 CG LEU A 8 -3.575 -19.014 3.071 1.00 0.00 C ATOM 117 CD1 LEU A 8 -4.770 -18.123 3.372 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.301 -19.954 4.235 1.00 0.00 C ATOM 0 H LEU A 8 -4.060 -20.806 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.929 -18.354 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.675 -20.456 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.951 -20.459 1.617 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.701 -18.379 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.586 -17.565 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.921 -17.426 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.661 -18.739 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.136 -19.372 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.156 -20.614 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.414 -20.550 4.020 1.00 0.00 H new ATOM 130 N LEU A 9 -1.745 -18.615 -0.177 1.00 0.00 N ATOM 131 CA LEU A 9 -0.542 -17.833 -0.448 1.00 0.00 C ATOM 132 C LEU A 9 -0.816 -16.744 -1.482 1.00 0.00 C ATOM 133 O LEU A 9 -0.576 -15.560 -1.230 1.00 0.00 O ATOM 134 CB LEU A 9 0.598 -18.738 -0.920 1.00 0.00 C ATOM 135 CG LEU A 9 1.310 -19.519 0.188 1.00 0.00 C ATOM 136 CD1 LEU A 9 0.322 -20.370 0.970 1.00 0.00 C ATOM 137 CD2 LEU A 9 2.414 -20.386 -0.396 1.00 0.00 C ATOM 0 H LEU A 9 -1.659 -19.610 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.242 -17.352 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.201 -19.448 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.334 -18.127 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 9 1.760 -18.802 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.851 -20.916 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.433 -19.727 1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.161 -21.078 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.909 -20.934 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.985 -21.092 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.141 -19.754 -0.907 1.00 0.00 H new ATOM 149 N TYR A 10 -1.329 -17.138 -2.644 1.00 0.00 N ATOM 150 CA TYR A 10 -1.636 -16.171 -3.692 1.00 0.00 C ATOM 151 C TYR A 10 -2.691 -15.177 -3.224 1.00 0.00 C ATOM 152 O TYR A 10 -2.458 -13.966 -3.213 1.00 0.00 O ATOM 153 CB TYR A 10 -2.109 -16.870 -4.964 1.00 0.00 C ATOM 154 CG TYR A 10 -0.980 -17.318 -5.863 1.00 0.00 C ATOM 155 CD1 TYR A 10 -0.232 -18.455 -5.579 1.00 0.00 C ATOM 156 CD2 TYR A 10 -0.663 -16.592 -7.000 1.00 0.00 C ATOM 157 CE1 TYR A 10 0.799 -18.849 -6.410 1.00 0.00 C ATOM 158 CE2 TYR A 10 0.364 -16.980 -7.832 1.00 0.00 C ATOM 159 CZ TYR A 10 1.093 -18.109 -7.534 1.00 0.00 C ATOM 160 OH TYR A 10 2.119 -18.501 -8.364 1.00 0.00 O ATOM 0 H TYR A 10 -1.539 -18.108 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.718 -15.628 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.710 -17.737 -4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.759 -16.194 -5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.460 -19.037 -4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.232 -15.705 -7.238 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.373 -19.734 -6.179 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.596 -16.401 -8.714 1.00 0.00 H new ATOM 0 HH TYR A 10 2.517 -19.329 -8.024 1.00 0.00 H new ATOM 170 N MET A 11 -3.852 -15.692 -2.828 1.00 0.00 N ATOM 171 CA MET A 11 -4.932 -14.839 -2.350 1.00 0.00 C ATOM 172 C MET A 11 -4.447 -13.949 -1.212 1.00 0.00 C ATOM 173 O MET A 11 -5.034 -12.905 -0.932 1.00 0.00 O ATOM 174 CB MET A 11 -6.119 -15.683 -1.883 1.00 0.00 C ATOM 175 CG MET A 11 -7.297 -14.856 -1.394 1.00 0.00 C ATOM 176 SD MET A 11 -8.692 -15.871 -0.870 1.00 0.00 S ATOM 177 CE MET A 11 -9.109 -16.697 -2.404 1.00 0.00 C ATOM 0 H MET A 11 -4.067 -16.689 -2.829 1.00 0.00 H new ATOM 0 HA MET A 11 -5.256 -14.207 -3.177 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.448 -16.319 -2.705 1.00 0.00 H new ATOM 0 HB3 MET A 11 -5.791 -16.344 -1.080 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.975 -14.230 -0.561 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.620 -14.185 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.466 -17.704 -2.189 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.890 -16.137 -2.918 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.225 -16.753 -3.039 1.00 0.00 H new ATOM 187 N ALA A 12 -3.366 -14.369 -0.557 1.00 0.00 N ATOM 188 CA ALA A 12 -2.804 -13.615 0.541 1.00 0.00 C ATOM 189 C ALA A 12 -2.098 -12.369 0.031 1.00 0.00 C ATOM 190 O ALA A 12 -2.376 -11.270 0.485 1.00 0.00 O ATOM 191 CB ALA A 12 -1.847 -14.474 1.354 1.00 0.00 C ATOM 0 H ALA A 12 -2.867 -15.231 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.622 -13.306 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.437 -13.885 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.382 -15.334 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.035 -14.820 0.714 1.00 0.00 H new ATOM 197 N ALA A 13 -1.180 -12.551 -0.909 1.00 0.00 N ATOM 198 CA ALA A 13 -0.431 -11.440 -1.473 1.00 0.00 C ATOM 199 C ALA A 13 -1.300 -10.544 -2.353 1.00 0.00 C ATOM 200 O ALA A 13 -0.939 -9.400 -2.626 1.00 0.00 O ATOM 201 CB ALA A 13 0.757 -11.961 -2.269 1.00 0.00 C ATOM 0 H ALA A 13 -0.937 -13.462 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.076 -10.832 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.311 -11.121 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.410 -12.536 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.401 -12.600 -3.078 1.00 0.00 H new ATOM 207 N ALA A 14 -2.449 -11.045 -2.792 1.00 0.00 N ATOM 208 CA ALA A 14 -3.330 -10.243 -3.632 1.00 0.00 C ATOM 209 C ALA A 14 -4.259 -9.429 -2.761 1.00 0.00 C ATOM 210 O ALA A 14 -4.495 -8.246 -3.001 1.00 0.00 O ATOM 211 CB ALA A 14 -4.117 -11.126 -4.589 1.00 0.00 C ATOM 0 H ALA A 14 -2.788 -11.985 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.725 -9.564 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.767 -10.505 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.426 -11.675 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.722 -11.831 -4.019 1.00 0.00 H new ATOM 217 N VAL A 15 -4.750 -10.076 -1.725 1.00 0.00 N ATOM 218 CA VAL A 15 -5.623 -9.442 -0.766 1.00 0.00 C ATOM 219 C VAL A 15 -4.820 -8.456 0.075 1.00 0.00 C ATOM 220 O VAL A 15 -5.267 -7.349 0.364 1.00 0.00 O ATOM 221 CB VAL A 15 -6.259 -10.512 0.138 1.00 0.00 C ATOM 222 CG1 VAL A 15 -6.926 -9.885 1.356 1.00 0.00 C ATOM 223 CG2 VAL A 15 -7.261 -11.341 -0.651 1.00 0.00 C ATOM 0 H VAL A 15 -4.554 -11.057 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.414 -8.904 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.464 -11.166 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.365 -10.668 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.183 -9.339 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.708 -9.199 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.703 -12.094 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.045 -10.691 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.753 -11.832 -1.481 1.00 0.00 H new ATOM 233 N MET A 16 -3.620 -8.880 0.448 1.00 0.00 N ATOM 234 CA MET A 16 -2.718 -8.068 1.250 1.00 0.00 C ATOM 235 C MET A 16 -2.159 -6.899 0.458 1.00 0.00 C ATOM 236 O MET A 16 -2.329 -5.746 0.849 1.00 0.00 O ATOM 237 CB MET A 16 -1.567 -8.926 1.790 1.00 0.00 C ATOM 238 CG MET A 16 -1.873 -9.591 3.123 1.00 0.00 C ATOM 239 SD MET A 16 -3.380 -10.581 3.084 1.00 0.00 S ATOM 240 CE MET A 16 -3.427 -11.192 4.767 1.00 0.00 C ATOM 0 H MET A 16 -3.246 -9.796 0.203 1.00 0.00 H new ATOM 0 HA MET A 16 -3.294 -7.666 2.083 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.325 -9.696 1.057 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.681 -8.301 1.901 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.034 -10.226 3.407 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.968 -8.825 3.892 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.306 -11.823 4.901 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.528 -11.775 4.968 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.476 -10.351 5.458 1.00 0.00 H new ATOM 250 N MET A 17 -1.482 -7.186 -0.648 1.00 0.00 N ATOM 251 CA MET A 17 -0.903 -6.118 -1.447 1.00 0.00 C ATOM 252 C MET A 17 -1.987 -5.284 -2.086 1.00 0.00 C ATOM 253 O MET A 17 -1.964 -4.056 -2.004 1.00 0.00 O ATOM 254 CB MET A 17 0.032 -6.684 -2.517 1.00 0.00 C ATOM 255 CG MET A 17 1.050 -7.678 -1.978 1.00 0.00 C ATOM 256 SD MET A 17 2.209 -8.236 -3.245 1.00 0.00 S ATOM 257 CE MET A 17 1.093 -8.998 -4.421 1.00 0.00 C ATOM 0 H MET A 17 -1.324 -8.128 -1.005 1.00 0.00 H new ATOM 0 HA MET A 17 -0.319 -5.480 -0.784 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.565 -7.171 -3.288 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.561 -5.860 -2.997 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.605 -7.218 -1.160 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.527 -8.540 -1.563 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.657 -9.343 -5.287 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.593 -9.846 -3.952 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.348 -8.269 -4.741 1.00 0.00 H new ATOM 267 N GLY A 18 -2.949 -5.946 -2.703 1.00 0.00 N ATOM 268 CA GLY A 18 -4.033 -5.222 -3.316 1.00 0.00 C ATOM 269 C GLY A 18 -4.667 -4.261 -2.336 1.00 0.00 C ATOM 270 O GLY A 18 -4.745 -3.060 -2.598 1.00 0.00 O ATOM 0 H GLY A 18 -2.998 -6.961 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.664 -4.673 -4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.784 -5.924 -3.680 1.00 0.00 H new ATOM 274 N LEU A 19 -5.107 -4.792 -1.195 1.00 0.00 N ATOM 275 CA LEU A 19 -5.741 -3.980 -0.167 1.00 0.00 C ATOM 276 C LEU A 19 -4.786 -2.969 0.463 1.00 0.00 C ATOM 277 O LEU A 19 -5.235 -1.940 0.968 1.00 0.00 O ATOM 278 CB LEU A 19 -6.342 -4.867 0.924 1.00 0.00 C ATOM 279 CG LEU A 19 -7.482 -5.778 0.464 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.968 -6.647 1.614 1.00 0.00 C ATOM 281 CD2 LEU A 19 -8.627 -4.950 -0.101 1.00 0.00 C ATOM 0 H LEU A 19 -5.034 -5.783 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.531 -3.417 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.550 -5.486 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.709 -4.229 1.728 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.106 -6.431 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.779 -7.288 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.146 -7.265 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.328 -6.012 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.430 -5.612 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.001 -4.274 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.271 -4.370 -0.952 1.00 0.00 H new ATOM 293 N ALA A 20 -3.477 -3.239 0.456 1.00 0.00 N ATOM 294 CA ALA A 20 -2.548 -2.296 1.063 1.00 0.00 C ATOM 295 C ALA A 20 -2.215 -1.161 0.120 1.00 0.00 C ATOM 296 O ALA A 20 -2.553 -0.007 0.386 1.00 0.00 O ATOM 297 CB ALA A 20 -1.283 -2.996 1.520 1.00 0.00 C ATOM 0 H ALA A 20 -3.053 -4.073 0.051 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.041 -1.871 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.607 -2.269 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.535 -3.760 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.796 -3.463 0.664 1.00 0.00 H new ATOM 303 N ALA A 21 -1.555 -1.482 -0.982 1.00 0.00 N ATOM 304 CA ALA A 21 -1.190 -0.467 -1.953 1.00 0.00 C ATOM 305 C ALA A 21 -2.394 0.418 -2.263 1.00 0.00 C ATOM 306 O ALA A 21 -2.257 1.631 -2.415 1.00 0.00 O ATOM 307 CB ALA A 21 -0.663 -1.109 -3.227 1.00 0.00 C ATOM 0 H ALA A 21 -1.264 -2.429 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.398 0.151 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.395 -0.331 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.218 -1.708 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.434 -1.748 -3.658 1.00 0.00 H new ATOM 313 N ILE A 22 -3.584 -0.194 -2.344 1.00 0.00 N ATOM 314 CA ILE A 22 -4.791 0.571 -2.622 1.00 0.00 C ATOM 315 C ILE A 22 -5.224 1.357 -1.394 1.00 0.00 C ATOM 316 O ILE A 22 -5.605 2.519 -1.503 1.00 0.00 O ATOM 317 CB ILE A 22 -5.966 -0.309 -3.080 1.00 0.00 C ATOM 318 CG1 ILE A 22 -6.505 -1.147 -1.916 1.00 0.00 C ATOM 319 CG2 ILE A 22 -5.546 -1.190 -4.247 1.00 0.00 C ATOM 320 CD1 ILE A 22 -7.634 -2.067 -2.313 1.00 0.00 C ATOM 0 H ILE A 22 -3.728 -1.196 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.535 1.247 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.773 0.340 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.692 -1.741 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.850 -0.479 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.389 -1.807 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.227 -0.563 -5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.721 -1.832 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.968 -2.630 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.463 -1.478 -2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.287 -2.758 -3.081 1.00 0.00 H new ATOM 332 N GLY A 23 -5.159 0.723 -0.217 1.00 0.00 N ATOM 333 CA GLY A 23 -5.545 1.417 1.000 1.00 0.00 C ATOM 334 C GLY A 23 -4.918 2.790 1.052 1.00 0.00 C ATOM 335 O GLY A 23 -5.610 3.811 1.141 1.00 0.00 O ATOM 0 H GLY A 23 -4.851 -0.241 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.630 1.505 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.235 0.837 1.869 1.00 0.00 H new ATOM 339 N ALA A 24 -3.598 2.812 0.945 1.00 0.00 N ATOM 340 CA ALA A 24 -2.868 4.059 0.934 1.00 0.00 C ATOM 341 C ALA A 24 -3.221 4.845 -0.314 1.00 0.00 C ATOM 342 O ALA A 24 -3.414 6.052 -0.252 1.00 0.00 O ATOM 343 CB ALA A 24 -1.376 3.803 0.993 1.00 0.00 C ATOM 0 H ALA A 24 -3.016 1.978 0.865 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.147 4.640 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.843 4.754 0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.136 3.261 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.074 3.210 0.130 1.00 0.00 H new ATOM 349 N ALA A 25 -3.323 4.151 -1.451 1.00 0.00 N ATOM 350 CA ALA A 25 -3.674 4.811 -2.709 1.00 0.00 C ATOM 351 C ALA A 25 -4.871 5.742 -2.514 1.00 0.00 C ATOM 352 O ALA A 25 -4.763 6.964 -2.665 1.00 0.00 O ATOM 353 CB ALA A 25 -3.976 3.777 -3.783 1.00 0.00 C ATOM 0 H ALA A 25 -3.170 3.145 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.823 5.410 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.235 4.283 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.098 3.152 -3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.812 3.154 -3.464 1.00 0.00 H new ATOM 359 N ILE A 26 -6.010 5.158 -2.153 1.00 0.00 N ATOM 360 CA ILE A 26 -7.221 5.928 -1.913 1.00 0.00 C ATOM 361 C ILE A 26 -6.948 7.038 -0.919 1.00 0.00 C ATOM 362 O ILE A 26 -7.381 8.163 -1.121 1.00 0.00 O ATOM 363 CB ILE A 26 -8.365 5.041 -1.385 1.00 0.00 C ATOM 364 CG1 ILE A 26 -8.634 3.888 -2.355 1.00 0.00 C ATOM 365 CG2 ILE A 26 -9.627 5.868 -1.173 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.745 2.964 -1.904 1.00 0.00 C ATOM 0 H ILE A 26 -6.117 4.152 -2.021 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.530 6.354 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.065 4.622 -0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.888 4.298 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.719 3.309 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.425 5.226 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.427 6.657 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.933 6.314 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.880 2.171 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.485 2.525 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.672 3.530 -1.806 1.00 0.00 H new ATOM 378 N GLY A 27 -6.215 6.728 0.146 1.00 0.00 N ATOM 379 CA GLY A 27 -5.903 7.751 1.124 1.00 0.00 C ATOM 380 C GLY A 27 -5.179 8.918 0.502 1.00 0.00 C ATOM 381 O GLY A 27 -5.481 10.062 0.792 1.00 0.00 O ATOM 0 H GLY A 27 -5.837 5.802 0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.824 8.101 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.288 7.322 1.915 1.00 0.00 H new ATOM 385 N ILE A 28 -4.234 8.633 -0.380 1.00 0.00 N ATOM 386 CA ILE A 28 -3.505 9.687 -1.060 1.00 0.00 C ATOM 387 C ILE A 28 -4.494 10.540 -1.831 1.00 0.00 C ATOM 388 O ILE A 28 -4.334 11.754 -1.953 1.00 0.00 O ATOM 389 CB ILE A 28 -2.458 9.112 -2.031 1.00 0.00 C ATOM 390 CG1 ILE A 28 -1.491 8.203 -1.279 1.00 0.00 C ATOM 391 CG2 ILE A 28 -1.703 10.234 -2.731 1.00 0.00 C ATOM 392 CD1 ILE A 28 -0.641 7.343 -2.187 1.00 0.00 C ATOM 0 H ILE A 28 -3.956 7.686 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.978 10.284 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.972 8.523 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.839 8.816 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.058 7.558 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.968 9.807 -3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.405 10.850 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.195 10.849 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.022 6.723 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.285 6.704 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.047 7.981 -2.841 1.00 0.00 H new ATOM 404 N GLY A 29 -5.536 9.882 -2.329 1.00 0.00 N ATOM 405 CA GLY A 29 -6.565 10.575 -3.068 1.00 0.00 C ATOM 406 C GLY A 29 -7.478 11.364 -2.156 1.00 0.00 C ATOM 407 O GLY A 29 -7.906 12.467 -2.502 1.00 0.00 O ATOM 0 H GLY A 29 -5.683 8.877 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.103 11.248 -3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.153 9.854 -3.635 1.00 0.00 H new ATOM 411 N ILE A 30 -7.777 10.810 -0.981 1.00 0.00 N ATOM 412 CA ILE A 30 -8.649 11.496 -0.032 1.00 0.00 C ATOM 413 C ILE A 30 -7.884 12.594 0.696 1.00 0.00 C ATOM 414 O ILE A 30 -8.187 13.782 0.565 1.00 0.00 O ATOM 415 CB ILE A 30 -9.240 10.514 1.001 1.00 0.00 C ATOM 416 CG1 ILE A 30 -10.017 9.402 0.291 1.00 0.00 C ATOM 417 CG2 ILE A 30 -10.141 11.248 1.988 1.00 0.00 C ATOM 418 CD1 ILE A 30 -10.621 8.387 1.237 1.00 0.00 C ATOM 0 H ILE A 30 -7.434 9.902 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.468 11.937 -0.601 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.419 10.064 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.812 9.849 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.350 8.889 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.547 10.537 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.562 12.007 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.959 11.726 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.156 7.629 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.829 7.912 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -11.314 8.887 1.913 1.00 0.00 H new ATOM 430 N LEU A 31 -6.877 12.181 1.446 1.00 0.00 N ATOM 431 CA LEU A 31 -6.037 13.095 2.191 1.00 0.00 C ATOM 432 C LEU A 31 -5.309 14.048 1.250 1.00 0.00 C ATOM 433 O LEU A 31 -5.198 15.240 1.531 1.00 0.00 O ATOM 434 CB LEU A 31 -5.036 12.299 3.027 1.00 0.00 C ATOM 435 CG LEU A 31 -5.219 12.418 4.541 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.150 11.621 5.273 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.188 13.878 4.968 1.00 0.00 C ATOM 0 H LEU A 31 -6.620 11.200 1.554 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.663 13.692 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.108 11.248 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.029 12.628 2.771 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.193 12.005 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.297 11.718 6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.222 10.571 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.165 12.002 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.320 13.944 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.230 14.318 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.993 14.420 4.471 1.00 0.00 H new ATOM 449 N GLY A 32 -4.824 13.522 0.128 1.00 0.00 N ATOM 450 CA GLY A 32 -4.127 14.355 -0.831 1.00 0.00 C ATOM 451 C GLY A 32 -5.083 15.219 -1.627 1.00 0.00 C ATOM 452 O GLY A 32 -4.770 16.364 -1.955 1.00 0.00 O ATOM 0 H GLY A 32 -4.902 12.539 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.412 14.991 -0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.555 13.725 -1.511 1.00 0.00 H new ATOM 456 N GLY A 33 -6.257 14.672 -1.928 1.00 0.00 N ATOM 457 CA GLY A 33 -7.249 15.418 -2.677 1.00 0.00 C ATOM 458 C GLY A 33 -7.669 16.686 -1.963 1.00 0.00 C ATOM 459 O GLY A 33 -7.828 17.734 -2.589 1.00 0.00 O ATOM 0 H GLY A 33 -6.538 13.727 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.847 15.671 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.124 14.790 -2.844 1.00 0.00 H new ATOM 463 N LYS A 34 -7.850 16.593 -0.648 1.00 0.00 N ATOM 464 CA LYS A 34 -8.254 17.746 0.149 1.00 0.00 C ATOM 465 C LYS A 34 -7.045 18.537 0.641 1.00 0.00 C ATOM 466 O LYS A 34 -7.105 19.761 0.760 1.00 0.00 O ATOM 467 CB LYS A 34 -9.113 17.307 1.338 1.00 0.00 C ATOM 468 CG LYS A 34 -10.532 16.904 0.960 1.00 0.00 C ATOM 469 CD LYS A 34 -10.550 15.738 -0.017 1.00 0.00 C ATOM 470 CE LYS A 34 -11.972 15.328 -0.365 1.00 0.00 C ATOM 471 NZ LYS A 34 -12.731 16.441 -0.998 1.00 0.00 N ATOM 0 H LYS A 34 -7.724 15.733 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.846 18.397 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.627 16.467 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.158 18.121 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.084 16.632 1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.046 17.757 0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.017 16.015 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.021 14.890 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.948 14.474 -1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.488 15.004 0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.615 16.072 -1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.952 17.162 -0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.157 16.868 -1.753 1.00 0.00 H new ATOM 485 N PHE A 35 -5.945 17.843 0.927 1.00 0.00 N ATOM 486 CA PHE A 35 -4.738 18.509 1.404 1.00 0.00 C ATOM 487 C PHE A 35 -4.102 19.343 0.294 1.00 0.00 C ATOM 488 O PHE A 35 -3.336 20.268 0.562 1.00 0.00 O ATOM 489 CB PHE A 35 -3.727 17.496 1.954 1.00 0.00 C ATOM 490 CG PHE A 35 -2.543 18.141 2.612 1.00 0.00 C ATOM 491 CD1 PHE A 35 -1.521 18.679 1.850 1.00 0.00 C ATOM 492 CD2 PHE A 35 -2.463 18.225 3.992 1.00 0.00 C ATOM 493 CE1 PHE A 35 -0.439 19.289 2.452 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.381 18.831 4.601 1.00 0.00 C ATOM 495 CZ PHE A 35 -0.368 19.365 3.828 1.00 0.00 C ATOM 0 H PHE A 35 -5.866 16.830 0.838 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.028 19.176 2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.227 16.848 2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.380 16.860 1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.570 18.621 0.773 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.255 17.812 4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.352 19.707 1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.327 18.887 5.678 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.478 19.841 4.300 1.00 0.00 H new ATOM 505 N LEU A 36 -4.434 19.019 -0.953 1.00 0.00 N ATOM 506 CA LEU A 36 -3.902 19.749 -2.097 1.00 0.00 C ATOM 507 C LEU A 36 -4.683 21.041 -2.318 1.00 0.00 C ATOM 508 O LEU A 36 -4.138 22.033 -2.800 1.00 0.00 O ATOM 509 CB LEU A 36 -3.958 18.886 -3.359 1.00 0.00 C ATOM 510 CG LEU A 36 -3.428 19.559 -4.628 1.00 0.00 C ATOM 511 CD1 LEU A 36 -1.952 19.896 -4.481 1.00 0.00 C ATOM 512 CD2 LEU A 36 -3.655 18.665 -5.837 1.00 0.00 C ATOM 0 H LEU A 36 -5.068 18.257 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.862 19.997 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.386 17.975 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.992 18.586 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.976 20.489 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.595 20.373 -5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.816 20.575 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.386 18.981 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.273 19.158 -6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.133 17.719 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.722 18.476 -5.955 1.00 0.00 H new ATOM 524 N GLU A 37 -5.966 21.020 -1.958 1.00 0.00 N ATOM 525 CA GLU A 37 -6.823 22.190 -2.113 1.00 0.00 C ATOM 526 C GLU A 37 -6.216 23.400 -1.415 1.00 0.00 C ATOM 527 O GLU A 37 -6.189 24.498 -1.968 1.00 0.00 O ATOM 528 CB GLU A 37 -8.217 21.907 -1.548 1.00 0.00 C ATOM 529 CG GLU A 37 -8.916 20.728 -2.205 1.00 0.00 C ATOM 530 CD GLU A 37 -9.132 20.927 -3.693 1.00 0.00 C ATOM 531 OE1 GLU A 37 -8.129 21.067 -4.425 1.00 0.00 O ATOM 532 OE2 GLU A 37 -10.302 20.943 -4.126 1.00 0.00 O ATOM 0 H GLU A 37 -6.432 20.206 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.909 22.410 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.134 21.718 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.835 22.797 -1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.325 19.826 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.879 20.567 -1.721 1.00 0.00 H new ATOM 539 N GLY A 38 -5.721 23.190 -0.200 1.00 0.00 N ATOM 540 CA GLY A 38 -5.111 24.277 0.544 1.00 0.00 C ATOM 541 C GLY A 38 -4.015 24.965 -0.246 1.00 0.00 C ATOM 542 O GLY A 38 -3.834 26.179 -0.147 1.00 0.00 O ATOM 0 H GLY A 38 -5.731 22.291 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.876 25.006 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.698 23.891 1.476 1.00 0.00 H new ATOM 546 N ALA A 39 -3.281 24.182 -1.031 1.00 0.00 N ATOM 547 CA ALA A 39 -2.199 24.706 -1.843 1.00 0.00 C ATOM 548 C ALA A 39 -2.724 25.612 -2.954 1.00 0.00 C ATOM 549 O ALA A 39 -2.025 26.514 -3.412 1.00 0.00 O ATOM 550 CB ALA A 39 -1.382 23.566 -2.431 1.00 0.00 C ATOM 0 H ALA A 39 -3.421 23.176 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.557 25.307 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.573 23.973 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.963 22.965 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.024 22.942 -3.053 1.00 0.00 H new ATOM 556 N ALA A 40 -3.960 25.364 -3.385 1.00 0.00 N ATOM 557 CA ALA A 40 -4.573 26.156 -4.442 1.00 0.00 C ATOM 558 C ALA A 40 -4.510 27.644 -4.121 1.00 0.00 C ATOM 559 O ALA A 40 -4.507 28.487 -5.018 1.00 0.00 O ATOM 560 CB ALA A 40 -6.016 25.731 -4.663 1.00 0.00 C ATOM 0 H ALA A 40 -4.554 24.621 -3.017 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.010 25.979 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.456 26.335 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.046 24.679 -4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.582 25.873 -3.743 1.00 0.00 H new ATOM 566 N ARG A 41 -4.451 27.956 -2.831 1.00 0.00 N ATOM 567 CA ARG A 41 -4.378 29.341 -2.384 1.00 0.00 C ATOM 568 C ARG A 41 -3.148 29.556 -1.509 1.00 0.00 C ATOM 569 O ARG A 41 -3.173 30.343 -0.563 1.00 0.00 O ATOM 570 CB ARG A 41 -5.644 29.742 -1.618 1.00 0.00 C ATOM 571 CG ARG A 41 -5.947 28.870 -0.408 1.00 0.00 C ATOM 572 CD ARG A 41 -6.699 27.604 -0.794 1.00 0.00 C ATOM 573 NE ARG A 41 -7.974 27.902 -1.440 1.00 0.00 N ATOM 574 CZ ARG A 41 -8.827 26.971 -1.862 1.00 0.00 C ATOM 575 NH1 ARG A 41 -8.546 25.684 -1.705 1.00 0.00 N ATOM 576 NH2 ARG A 41 -9.965 27.329 -2.443 1.00 0.00 N ATOM 0 H ARG A 41 -4.452 27.269 -2.077 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.298 29.973 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.543 30.776 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.494 29.705 -2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.014 28.601 0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.538 29.438 0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.083 27.007 -1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.876 27.001 0.097 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.226 28.881 -1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.673 25.403 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.203 24.975 -2.030 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.186 28.317 -2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.619 26.616 -2.766 1.00 0.00 H new ATOM 590 N GLN A 42 -2.074 28.845 -1.838 1.00 0.00 N ATOM 591 CA GLN A 42 -0.822 28.940 -1.095 1.00 0.00 C ATOM 592 C GLN A 42 0.362 28.631 -2.008 1.00 0.00 C ATOM 593 O GLN A 42 0.189 28.031 -3.069 1.00 0.00 O ATOM 594 CB GLN A 42 -0.841 27.969 0.087 1.00 0.00 C ATOM 595 CG GLN A 42 -1.873 28.315 1.148 1.00 0.00 C ATOM 596 CD GLN A 42 -1.577 29.626 1.849 1.00 0.00 C ATOM 597 OE1 GLN A 42 -1.508 30.681 1.219 1.00 0.00 O ATOM 598 NE2 GLN A 42 -1.398 29.566 3.164 1.00 0.00 N ATOM 0 H GLN A 42 -2.046 28.192 -2.621 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.715 29.957 -0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.038 26.963 -0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.147 27.951 0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.859 28.370 0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.911 27.514 1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.464 28.670 3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.195 30.416 3.690 1.00 0.00 H new ATOM 607 N PRO A 43 1.584 29.028 -1.614 1.00 0.00 N ATOM 608 CA PRO A 43 2.781 28.771 -2.418 1.00 0.00 C ATOM 609 C PRO A 43 3.099 27.288 -2.486 1.00 0.00 C ATOM 610 O PRO A 43 2.777 26.535 -1.572 1.00 0.00 O ATOM 611 CB PRO A 43 3.886 29.532 -1.682 1.00 0.00 C ATOM 612 CG PRO A 43 3.400 29.660 -0.281 1.00 0.00 C ATOM 613 CD PRO A 43 1.900 29.741 -0.361 1.00 0.00 C ATOM 0 HA PRO A 43 2.661 29.091 -3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.832 28.992 -1.724 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.058 30.510 -2.131 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.712 28.805 0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.813 30.550 0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.426 29.270 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.555 30.774 -0.389 1.00 0.00 H new ATOM 621 N ASP A 44 3.733 26.868 -3.574 1.00 0.00 N ATOM 622 CA ASP A 44 4.086 25.466 -3.749 1.00 0.00 C ATOM 623 C ASP A 44 5.437 25.160 -3.108 1.00 0.00 C ATOM 624 O ASP A 44 6.213 24.357 -3.626 1.00 0.00 O ATOM 625 CB ASP A 44 4.117 25.109 -5.235 1.00 0.00 C ATOM 626 CG ASP A 44 5.159 25.903 -6.000 1.00 0.00 C ATOM 627 OD1 ASP A 44 6.355 25.794 -5.661 1.00 0.00 O ATOM 628 OD2 ASP A 44 4.776 26.633 -6.939 1.00 0.00 O ATOM 0 H ASP A 44 4.012 27.475 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 44 3.327 24.860 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.322 24.044 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.134 25.291 -5.670 1.00 0.00 H new ATOM 633 N LEU A 45 5.712 25.806 -1.978 1.00 0.00 N ATOM 634 CA LEU A 45 6.969 25.602 -1.269 1.00 0.00 C ATOM 635 C LEU A 45 6.767 24.765 -0.016 1.00 0.00 C ATOM 636 O LEU A 45 7.436 23.751 0.182 1.00 0.00 O ATOM 637 CB LEU A 45 7.596 26.948 -0.902 1.00 0.00 C ATOM 638 CG LEU A 45 8.924 26.861 -0.149 1.00 0.00 C ATOM 639 CD1 LEU A 45 9.964 26.130 -0.984 1.00 0.00 C ATOM 640 CD2 LEU A 45 9.418 28.251 0.223 1.00 0.00 C ATOM 0 H LEU A 45 5.081 26.474 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 45 7.643 25.062 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.752 27.520 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.886 27.508 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 45 8.763 26.296 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.902 26.078 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.613 25.121 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.123 26.667 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.364 28.170 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.563 28.840 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.682 28.740 0.860 1.00 0.00 H new ATOM 652 N ILE A 46 5.851 25.202 0.829 1.00 0.00 N ATOM 653 CA ILE A 46 5.564 24.506 2.073 1.00 0.00 C ATOM 654 C ILE A 46 4.546 23.382 1.877 1.00 0.00 C ATOM 655 O ILE A 46 4.793 22.246 2.282 1.00 0.00 O ATOM 656 CB ILE A 46 5.041 25.494 3.124 1.00 0.00 C ATOM 657 CG1 ILE A 46 6.113 26.533 3.456 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.589 24.767 4.385 1.00 0.00 C ATOM 659 CD1 ILE A 46 7.388 25.932 4.005 1.00 0.00 C ATOM 0 H ILE A 46 5.290 26.040 0.676 1.00 0.00 H new ATOM 0 HA ILE A 46 6.497 24.059 2.417 1.00 0.00 H new ATOM 0 HB ILE A 46 4.175 26.007 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.347 27.102 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.711 27.238 4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.223 25.492 5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.790 24.069 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.430 24.219 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.103 26.727 4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.168 25.387 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.814 25.248 3.270 1.00 0.00 H new ATOM 671 N PRO A 47 3.381 23.672 1.266 1.00 0.00 N ATOM 672 CA PRO A 47 2.351 22.658 1.052 1.00 0.00 C ATOM 673 C PRO A 47 2.736 21.663 -0.033 1.00 0.00 C ATOM 674 O PRO A 47 2.331 20.504 0.011 1.00 0.00 O ATOM 675 CB PRO A 47 1.125 23.469 0.638 1.00 0.00 C ATOM 676 CG PRO A 47 1.681 24.706 0.026 1.00 0.00 C ATOM 677 CD PRO A 47 2.973 24.992 0.748 1.00 0.00 C ATOM 0 HA PRO A 47 2.186 22.051 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.507 22.919 -0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.495 23.701 1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.854 24.568 -1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.985 25.538 0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.724 25.409 0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.831 25.712 1.554 1.00 0.00 H new ATOM 685 N LEU A 48 3.533 22.110 -0.998 1.00 0.00 N ATOM 686 CA LEU A 48 3.978 21.228 -2.068 1.00 0.00 C ATOM 687 C LEU A 48 4.798 20.091 -1.476 1.00 0.00 C ATOM 688 O LEU A 48 4.663 18.932 -1.868 1.00 0.00 O ATOM 689 CB LEU A 48 4.819 21.997 -3.091 1.00 0.00 C ATOM 690 CG LEU A 48 5.382 21.147 -4.232 1.00 0.00 C ATOM 691 CD1 LEU A 48 4.256 20.581 -5.081 1.00 0.00 C ATOM 692 CD2 LEU A 48 6.342 21.963 -5.085 1.00 0.00 C ATOM 0 H LEU A 48 3.880 23.067 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 48 3.103 20.825 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.208 22.792 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.648 22.476 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 48 5.936 20.314 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.675 19.979 -5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.611 19.958 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.673 21.399 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.732 21.341 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.815 22.818 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.168 22.316 -4.467 1.00 0.00 H new ATOM 704 N LEU A 49 5.633 20.449 -0.505 1.00 0.00 N ATOM 705 CA LEU A 49 6.482 19.499 0.189 1.00 0.00 C ATOM 706 C LEU A 49 5.640 18.580 1.069 1.00 0.00 C ATOM 707 O LEU A 49 5.891 17.377 1.155 1.00 0.00 O ATOM 708 CB LEU A 49 7.507 20.279 1.021 1.00 0.00 C ATOM 709 CG LEU A 49 7.822 19.706 2.401 1.00 0.00 C ATOM 710 CD1 LEU A 49 8.324 18.273 2.293 1.00 0.00 C ATOM 711 CD2 LEU A 49 8.838 20.581 3.121 1.00 0.00 C ATOM 0 H LEU A 49 5.737 21.410 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 49 7.007 18.870 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.436 20.340 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.143 21.299 1.147 1.00 0.00 H new ATOM 0 HG LEU A 49 6.901 19.696 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.541 17.888 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.560 17.654 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.231 18.250 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.051 20.158 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.758 20.626 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.434 21.586 3.239 1.00 0.00 H new ATOM 723 N ARG A 50 4.641 19.159 1.716 1.00 0.00 N ATOM 724 CA ARG A 50 3.756 18.404 2.587 1.00 0.00 C ATOM 725 C ARG A 50 2.841 17.512 1.757 1.00 0.00 C ATOM 726 O ARG A 50 2.686 16.318 2.031 1.00 0.00 O ATOM 727 CB ARG A 50 2.937 19.371 3.444 1.00 0.00 C ATOM 728 CG ARG A 50 2.836 18.968 4.904 1.00 0.00 C ATOM 729 CD ARG A 50 2.162 17.619 5.071 1.00 0.00 C ATOM 730 NE ARG A 50 2.105 17.213 6.475 1.00 0.00 N ATOM 731 CZ ARG A 50 1.389 17.841 7.406 1.00 0.00 C ATOM 732 NH1 ARG A 50 0.627 18.877 7.083 1.00 0.00 N ATOM 733 NH2 ARG A 50 1.425 17.421 8.664 1.00 0.00 N ATOM 0 H ARG A 50 4.423 20.153 1.654 1.00 0.00 H new ATOM 0 HA ARG A 50 4.349 17.767 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.384 20.363 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.932 19.447 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.834 18.932 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.275 19.725 5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.152 17.664 4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.704 16.868 4.497 1.00 0.00 H new ATOM 0 HE ARG A 50 2.648 16.397 6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.586 19.198 6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.082 19.353 7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.001 16.618 8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.877 17.901 9.378 1.00 0.00 H new ATOM 747 N THR A 51 2.259 18.102 0.724 1.00 0.00 N ATOM 748 CA THR A 51 1.376 17.383 -0.178 1.00 0.00 C ATOM 749 C THR A 51 2.059 16.120 -0.694 1.00 0.00 C ATOM 750 O THR A 51 1.478 15.035 -0.669 1.00 0.00 O ATOM 751 CB THR A 51 0.994 18.287 -1.347 1.00 0.00 C ATOM 752 OG1 THR A 51 0.263 19.411 -0.892 1.00 0.00 O ATOM 753 CG2 THR A 51 0.162 17.593 -2.405 1.00 0.00 C ATOM 0 H THR A 51 2.385 19.087 0.489 1.00 0.00 H new ATOM 0 HA THR A 51 0.475 17.093 0.363 1.00 0.00 H new ATOM 0 HB THR A 51 1.941 18.585 -1.798 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.812 19.926 -0.264 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.071 18.297 -3.204 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.722 16.752 -2.814 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.764 17.230 -1.959 1.00 0.00 H new ATOM 761 N GLN A 52 3.307 16.260 -1.146 1.00 0.00 N ATOM 762 CA GLN A 52 4.054 15.116 -1.648 1.00 0.00 C ATOM 763 C GLN A 52 4.292 14.123 -0.530 1.00 0.00 C ATOM 764 O GLN A 52 4.101 12.921 -0.699 1.00 0.00 O ATOM 765 CB GLN A 52 5.386 15.545 -2.261 1.00 0.00 C ATOM 766 CG GLN A 52 6.268 16.367 -1.340 1.00 0.00 C ATOM 767 CD GLN A 52 7.649 16.599 -1.926 1.00 0.00 C ATOM 768 OE1 GLN A 52 7.904 17.819 -2.386 1.00 0.00 O flip ATOM 769 NE2 GLN A 52 8.469 15.683 -1.990 1.00 0.00 N flip ATOM 0 H GLN A 52 3.813 17.145 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 52 3.461 14.644 -2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.934 14.654 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.187 16.123 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.792 17.328 -1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.363 15.858 -0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.233 14.761 -1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.385 15.847 -2.408 1.00 0.00 H new ATOM 778 N PHE A 53 4.693 14.644 0.623 1.00 0.00 N ATOM 779 CA PHE A 53 4.939 13.810 1.795 1.00 0.00 C ATOM 780 C PHE A 53 3.799 12.820 1.965 1.00 0.00 C ATOM 781 O PHE A 53 4.016 11.651 2.273 1.00 0.00 O ATOM 782 CB PHE A 53 5.088 14.675 3.048 1.00 0.00 C ATOM 783 CG PHE A 53 5.397 13.889 4.290 1.00 0.00 C ATOM 784 CD1 PHE A 53 4.448 13.053 4.859 1.00 0.00 C ATOM 785 CD2 PHE A 53 6.641 13.983 4.886 1.00 0.00 C ATOM 786 CE1 PHE A 53 4.736 12.328 6.000 1.00 0.00 C ATOM 787 CE2 PHE A 53 6.938 13.263 6.027 1.00 0.00 C ATOM 788 CZ PHE A 53 5.983 12.434 6.585 1.00 0.00 C ATOM 0 H PHE A 53 4.855 15.640 0.773 1.00 0.00 H new ATOM 0 HA PHE A 53 5.869 13.260 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.881 15.404 2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.166 15.236 3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.472 12.967 4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.391 14.628 4.453 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.988 11.680 6.433 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.914 13.348 6.482 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.211 11.870 7.477 1.00 0.00 H new ATOM 798 N PHE A 54 2.582 13.296 1.726 1.00 0.00 N ATOM 799 CA PHE A 54 1.406 12.442 1.816 1.00 0.00 C ATOM 800 C PHE A 54 1.370 11.478 0.636 1.00 0.00 C ATOM 801 O PHE A 54 1.095 10.285 0.797 1.00 0.00 O ATOM 802 CB PHE A 54 0.129 13.280 1.864 1.00 0.00 C ATOM 803 CG PHE A 54 -0.221 13.741 3.249 1.00 0.00 C ATOM 804 CD1 PHE A 54 0.703 14.427 4.019 1.00 0.00 C ATOM 805 CD2 PHE A 54 -1.471 13.480 3.782 1.00 0.00 C ATOM 806 CE1 PHE A 54 0.383 14.844 5.297 1.00 0.00 C ATOM 807 CE2 PHE A 54 -1.796 13.896 5.059 1.00 0.00 C ATOM 808 CZ PHE A 54 -0.867 14.579 5.818 1.00 0.00 C ATOM 0 H PHE A 54 2.386 14.264 1.470 1.00 0.00 H new ATOM 0 HA PHE A 54 1.465 11.866 2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.248 14.149 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.698 12.694 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.683 14.638 3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.201 12.945 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.112 15.378 5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.776 13.687 5.463 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.118 14.905 6.817 1.00 0.00 H new ATOM 818 N ILE A 55 1.674 11.998 -0.553 1.00 0.00 N ATOM 819 CA ILE A 55 1.696 11.179 -1.758 1.00 0.00 C ATOM 820 C ILE A 55 2.585 9.957 -1.549 1.00 0.00 C ATOM 821 O ILE A 55 2.141 8.821 -1.708 1.00 0.00 O ATOM 822 CB ILE A 55 2.200 11.979 -2.978 1.00 0.00 C ATOM 823 CG1 ILE A 55 1.267 13.156 -3.265 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.308 11.081 -4.200 1.00 0.00 C ATOM 825 CD1 ILE A 55 -0.151 12.740 -3.585 1.00 0.00 C ATOM 0 H ILE A 55 1.907 12.979 -0.704 1.00 0.00 H new ATOM 0 HA ILE A 55 0.673 10.859 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 55 3.192 12.368 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.256 13.819 -2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.666 13.730 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.665 11.664 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.008 10.271 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.328 10.663 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.756 13.626 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.152 12.101 -4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.569 12.192 -2.740 1.00 0.00 H new ATOM 837 N VAL A 56 3.835 10.198 -1.175 1.00 0.00 N ATOM 838 CA VAL A 56 4.772 9.112 -0.927 1.00 0.00 C ATOM 839 C VAL A 56 4.351 8.329 0.305 1.00 0.00 C ATOM 840 O VAL A 56 4.427 7.102 0.325 1.00 0.00 O ATOM 841 CB VAL A 56 6.210 9.631 -0.742 1.00 0.00 C ATOM 842 CG1 VAL A 56 7.179 8.474 -0.549 1.00 0.00 C ATOM 843 CG2 VAL A 56 6.623 10.490 -1.928 1.00 0.00 C ATOM 0 H VAL A 56 4.222 11.132 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 56 4.757 8.460 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 56 6.240 10.250 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.189 8.863 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.894 7.904 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.149 7.825 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.642 10.848 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.576 9.897 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.948 11.341 -2.013 1.00 0.00 H new ATOM 853 N MET A 57 3.881 9.041 1.326 1.00 0.00 N ATOM 854 CA MET A 57 3.421 8.393 2.548 1.00 0.00 C ATOM 855 C MET A 57 2.462 7.259 2.200 1.00 0.00 C ATOM 856 O MET A 57 2.391 6.250 2.902 1.00 0.00 O ATOM 857 CB MET A 57 2.731 9.405 3.467 1.00 0.00 C ATOM 858 CG MET A 57 2.137 8.786 4.722 1.00 0.00 C ATOM 859 SD MET A 57 1.356 10.007 5.796 1.00 0.00 S ATOM 860 CE MET A 57 0.781 8.963 7.133 1.00 0.00 C ATOM 0 H MET A 57 3.809 10.058 1.331 1.00 0.00 H new ATOM 0 HA MET A 57 4.283 7.984 3.075 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.452 10.170 3.756 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.939 9.907 2.911 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.401 8.034 4.438 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.922 8.271 5.275 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.275 9.574 7.880 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.087 8.220 6.741 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.631 8.459 7.592 1.00 0.00 H new ATOM 870 N GLY A 58 1.729 7.438 1.102 1.00 0.00 N ATOM 871 CA GLY A 58 0.788 6.425 0.667 1.00 0.00 C ATOM 872 C GLY A 58 1.372 5.489 -0.376 1.00 0.00 C ATOM 873 O GLY A 58 1.256 4.270 -0.256 1.00 0.00 O ATOM 0 H GLY A 58 1.772 8.266 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.463 5.843 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.098 6.910 0.258 1.00 0.00 H new ATOM 877 N LEU A 59 2.003 6.058 -1.400 1.00 0.00 N ATOM 878 CA LEU A 59 2.609 5.261 -2.464 1.00 0.00 C ATOM 879 C LEU A 59 3.635 4.276 -1.904 1.00 0.00 C ATOM 880 O LEU A 59 4.002 3.304 -2.564 1.00 0.00 O ATOM 881 CB LEU A 59 3.277 6.172 -3.497 1.00 0.00 C ATOM 882 CG LEU A 59 2.322 7.070 -4.286 1.00 0.00 C ATOM 883 CD1 LEU A 59 3.094 7.923 -5.281 1.00 0.00 C ATOM 884 CD2 LEU A 59 1.272 6.232 -5.000 1.00 0.00 C ATOM 0 H LEU A 59 2.108 7.066 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 59 1.814 4.692 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.004 6.803 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.832 5.551 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 59 1.814 7.734 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.399 8.556 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.808 8.549 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.628 7.276 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.601 6.886 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.762 5.544 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.699 5.664 -4.267 1.00 0.00 H new ATOM 896 N VAL A 60 4.093 4.535 -0.683 1.00 0.00 N ATOM 897 CA VAL A 60 5.073 3.679 -0.031 1.00 0.00 C ATOM 898 C VAL A 60 4.380 2.583 0.761 1.00 0.00 C ATOM 899 O VAL A 60 4.844 1.452 0.816 1.00 0.00 O ATOM 900 CB VAL A 60 5.971 4.490 0.920 1.00 0.00 C ATOM 901 CG1 VAL A 60 5.163 5.059 2.079 1.00 0.00 C ATOM 902 CG2 VAL A 60 7.124 3.637 1.429 1.00 0.00 C ATOM 0 H VAL A 60 3.798 5.336 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 60 5.690 3.234 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 60 6.389 5.327 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.821 5.628 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.383 5.714 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.707 4.243 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.746 4.229 2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.729 2.775 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.723 3.295 0.585 1.00 0.00 H new ATOM 912 N ASP A 61 3.260 2.944 1.372 1.00 0.00 N ATOM 913 CA ASP A 61 2.465 2.017 2.181 1.00 0.00 C ATOM 914 C ASP A 61 2.330 0.644 1.523 1.00 0.00 C ATOM 915 O ASP A 61 2.111 -0.356 2.206 1.00 0.00 O ATOM 916 CB ASP A 61 1.081 2.602 2.416 1.00 0.00 C ATOM 917 CG ASP A 61 0.243 1.762 3.359 1.00 0.00 C ATOM 918 OD1 ASP A 61 -0.022 0.586 3.032 1.00 0.00 O ATOM 919 OD2 ASP A 61 -0.149 2.280 4.426 1.00 0.00 O ATOM 0 H ASP A 61 2.873 3.887 1.324 1.00 0.00 H new ATOM 0 HA ASP A 61 2.986 1.881 3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.181 3.608 2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.563 2.695 1.461 1.00 0.00 H new ATOM 924 N ALA A 62 2.449 0.604 0.200 1.00 0.00 N ATOM 925 CA ALA A 62 2.340 -0.655 -0.544 1.00 0.00 C ATOM 926 C ALA A 62 3.640 -1.443 -0.461 1.00 0.00 C ATOM 927 O ALA A 62 3.639 -2.655 -0.265 1.00 0.00 O ATOM 928 CB ALA A 62 2.001 -0.381 -2.000 1.00 0.00 C ATOM 0 H ALA A 62 2.621 1.424 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 62 1.541 -1.245 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.923 -1.325 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.051 0.150 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.785 0.229 -2.448 1.00 0.00 H new ATOM 934 N ILE A 63 4.746 -0.727 -0.595 1.00 0.00 N ATOM 935 CA ILE A 63 6.084 -1.312 -0.527 1.00 0.00 C ATOM 936 C ILE A 63 6.229 -2.396 0.539 1.00 0.00 C ATOM 937 O ILE A 63 6.952 -3.373 0.333 1.00 0.00 O ATOM 938 CB ILE A 63 7.132 -0.214 -0.254 1.00 0.00 C ATOM 939 CG1 ILE A 63 7.552 0.433 -1.566 1.00 0.00 C ATOM 940 CG2 ILE A 63 8.352 -0.772 0.474 1.00 0.00 C ATOM 941 CD1 ILE A 63 8.209 -0.555 -2.503 1.00 0.00 C ATOM 0 H ILE A 63 4.745 0.280 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 63 6.249 -1.783 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 63 6.677 0.536 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.678 0.867 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.242 1.252 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.069 0.030 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.043 -1.198 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.816 -1.547 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.492 -0.049 -3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.099 -0.969 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.511 -1.360 -2.730 1.00 0.00 H new ATOM 953 N PRO A 64 5.582 -2.247 1.701 1.00 0.00 N ATOM 954 CA PRO A 64 5.696 -3.216 2.776 1.00 0.00 C ATOM 955 C PRO A 64 4.776 -4.403 2.565 1.00 0.00 C ATOM 956 O PRO A 64 5.230 -5.543 2.480 1.00 0.00 O ATOM 957 CB PRO A 64 5.299 -2.413 4.032 1.00 0.00 C ATOM 958 CG PRO A 64 5.024 -1.016 3.551 1.00 0.00 C ATOM 959 CD PRO A 64 4.704 -1.149 2.093 1.00 0.00 C ATOM 0 HA PRO A 64 6.695 -3.646 2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.419 -2.843 4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.099 -2.422 4.772 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.192 -0.570 4.096 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.889 -0.371 3.706 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.653 -1.384 1.924 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.919 -0.234 1.541 1.00 0.00 H new ATOM 967 N MET A 65 3.480 -4.136 2.456 1.00 0.00 N ATOM 968 CA MET A 65 2.517 -5.194 2.228 1.00 0.00 C ATOM 969 C MET A 65 2.863 -5.917 0.934 1.00 0.00 C ATOM 970 O MET A 65 2.611 -7.111 0.786 1.00 0.00 O ATOM 971 CB MET A 65 1.104 -4.626 2.151 1.00 0.00 C ATOM 972 CG MET A 65 0.020 -5.679 2.310 1.00 0.00 C ATOM 973 SD MET A 65 0.202 -6.654 3.817 1.00 0.00 S ATOM 974 CE MET A 65 0.093 -5.373 5.063 1.00 0.00 C ATOM 0 H MET A 65 3.078 -3.201 2.522 1.00 0.00 H new ATOM 0 HA MET A 65 2.556 -5.897 3.060 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.982 -3.870 2.926 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.974 -4.124 1.192 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.955 -5.191 2.315 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.039 -6.346 1.448 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.062 -5.829 6.041 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.018 -4.796 5.074 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.744 -4.713 4.834 1.00 0.00 H new ATOM 984 N ILE A 66 3.467 -5.176 0.007 1.00 0.00 N ATOM 985 CA ILE A 66 3.878 -5.736 -1.269 1.00 0.00 C ATOM 986 C ILE A 66 5.099 -6.618 -1.083 1.00 0.00 C ATOM 987 O ILE A 66 5.140 -7.728 -1.597 1.00 0.00 O ATOM 988 CB ILE A 66 4.166 -4.639 -2.320 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.874 -3.904 -2.686 1.00 0.00 C ATOM 990 CG2 ILE A 66 4.806 -5.238 -3.566 1.00 0.00 C ATOM 991 CD1 ILE A 66 3.082 -2.771 -3.666 1.00 0.00 C ATOM 0 H ILE A 66 3.681 -4.185 0.121 1.00 0.00 H new ATOM 0 HA ILE A 66 3.050 -6.337 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 66 4.866 -3.925 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.168 -4.617 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.420 -3.509 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.000 -4.448 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.745 -5.721 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.132 -5.975 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.125 -2.295 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.764 -2.038 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.507 -3.163 -4.590 1.00 0.00 H new ATOM 1003 N ALA A 67 6.077 -6.144 -0.317 1.00 0.00 N ATOM 1004 CA ALA A 67 7.260 -6.949 -0.050 1.00 0.00 C ATOM 1005 C ALA A 67 6.827 -8.224 0.659 1.00 0.00 C ATOM 1006 O ALA A 67 7.364 -9.306 0.417 1.00 0.00 O ATOM 1007 CB ALA A 67 8.264 -6.174 0.791 1.00 0.00 C ATOM 0 H ALA A 67 6.074 -5.223 0.122 1.00 0.00 H new ATOM 0 HA ALA A 67 7.752 -7.201 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.139 -6.796 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.566 -5.273 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.806 -5.897 1.741 1.00 0.00 H new ATOM 1013 N VAL A 68 5.815 -8.083 1.513 1.00 0.00 N ATOM 1014 CA VAL A 68 5.262 -9.215 2.238 1.00 0.00 C ATOM 1015 C VAL A 68 4.582 -10.163 1.263 1.00 0.00 C ATOM 1016 O VAL A 68 4.850 -11.364 1.268 1.00 0.00 O ATOM 1017 CB VAL A 68 4.250 -8.767 3.309 1.00 0.00 C ATOM 1018 CG1 VAL A 68 3.732 -9.963 4.094 1.00 0.00 C ATOM 1019 CG2 VAL A 68 4.875 -7.736 4.240 1.00 0.00 C ATOM 0 H VAL A 68 5.363 -7.192 1.717 1.00 0.00 H new ATOM 0 HA VAL A 68 6.084 -9.722 2.743 1.00 0.00 H new ATOM 0 HB VAL A 68 3.403 -8.301 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.019 -9.624 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.240 -10.659 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.566 -10.464 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.144 -7.432 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.743 -8.172 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.186 -6.865 3.662 1.00 0.00 H new ATOM 1029 N GLY A 69 3.725 -9.618 0.398 1.00 0.00 N ATOM 1030 CA GLY A 69 3.066 -10.452 -0.586 1.00 0.00 C ATOM 1031 C GLY A 69 4.084 -11.113 -1.486 1.00 0.00 C ATOM 1032 O GLY A 69 3.875 -12.213 -1.987 1.00 0.00 O ATOM 0 H GLY A 69 3.481 -8.628 0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.467 -11.212 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.381 -9.849 -1.183 1.00 0.00 H new ATOM 1036 N LEU A 70 5.205 -10.426 -1.660 1.00 0.00 N ATOM 1037 CA LEU A 70 6.307 -10.911 -2.468 1.00 0.00 C ATOM 1038 C LEU A 70 7.005 -12.054 -1.748 1.00 0.00 C ATOM 1039 O LEU A 70 7.524 -12.978 -2.367 1.00 0.00 O ATOM 1040 CB LEU A 70 7.289 -9.767 -2.728 1.00 0.00 C ATOM 1041 CG LEU A 70 7.608 -9.526 -4.196 1.00 0.00 C ATOM 1042 CD1 LEU A 70 8.541 -8.335 -4.355 1.00 0.00 C ATOM 1043 CD2 LEU A 70 8.214 -10.770 -4.824 1.00 0.00 C ATOM 0 H LEU A 70 5.373 -9.512 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 70 5.929 -11.277 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.879 -8.850 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.218 -9.976 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 70 6.676 -9.301 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.756 -8.180 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.065 -7.443 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.471 -8.527 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.435 -10.577 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.135 -11.030 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.508 -11.597 -4.748 1.00 0.00 H new ATOM 1055 N GLY A 71 6.993 -11.981 -0.425 1.00 0.00 N ATOM 1056 CA GLY A 71 7.607 -13.014 0.385 1.00 0.00 C ATOM 1057 C GLY A 71 6.785 -14.283 0.376 1.00 0.00 C ATOM 1058 O GLY A 71 7.289 -15.357 0.049 1.00 0.00 O ATOM 0 H GLY A 71 6.567 -11.221 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.609 -13.225 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.718 -12.658 1.409 1.00 0.00 H new ATOM 1062 N LEU A 72 5.508 -14.153 0.722 1.00 0.00 N ATOM 1063 CA LEU A 72 4.602 -15.295 0.735 1.00 0.00 C ATOM 1064 C LEU A 72 4.411 -15.842 -0.677 1.00 0.00 C ATOM 1065 O LEU A 72 4.347 -17.057 -0.889 1.00 0.00 O ATOM 1066 CB LEU A 72 3.249 -14.886 1.325 1.00 0.00 C ATOM 1067 CG LEU A 72 3.238 -14.669 2.839 1.00 0.00 C ATOM 1068 CD1 LEU A 72 3.534 -15.970 3.567 1.00 0.00 C ATOM 1069 CD2 LEU A 72 4.237 -13.595 3.241 1.00 0.00 C ATOM 0 H LEU A 72 5.078 -13.270 0.997 1.00 0.00 H new ATOM 0 HA LEU A 72 5.039 -16.077 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.922 -13.966 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.516 -15.654 1.079 1.00 0.00 H new ATOM 0 HG LEU A 72 2.242 -14.331 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.522 -15.796 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.777 -16.711 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.516 -16.338 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.210 -13.459 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.239 -13.899 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.979 -12.656 2.751 1.00 0.00 H new ATOM 1081 N TYR A 73 4.330 -14.935 -1.643 1.00 0.00 N ATOM 1082 CA TYR A 73 4.152 -15.324 -3.038 1.00 0.00 C ATOM 1083 C TYR A 73 5.409 -16.023 -3.549 1.00 0.00 C ATOM 1084 O TYR A 73 5.359 -17.170 -4.007 1.00 0.00 O ATOM 1085 CB TYR A 73 3.827 -14.096 -3.886 1.00 0.00 C ATOM 1086 CG TYR A 73 3.452 -14.411 -5.313 1.00 0.00 C ATOM 1087 CD1 TYR A 73 4.399 -14.876 -6.217 1.00 0.00 C ATOM 1088 CD2 TYR A 73 2.146 -14.239 -5.757 1.00 0.00 C ATOM 1089 CE1 TYR A 73 4.057 -15.158 -7.524 1.00 0.00 C ATOM 1090 CE2 TYR A 73 1.797 -14.520 -7.064 1.00 0.00 C ATOM 1091 CZ TYR A 73 2.756 -14.978 -7.943 1.00 0.00 C ATOM 1092 OH TYR A 73 2.413 -15.257 -9.247 1.00 0.00 O ATOM 0 H TYR A 73 4.384 -13.928 -1.488 1.00 0.00 H new ATOM 0 HA TYR A 73 3.318 -16.022 -3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.006 -13.552 -3.418 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.690 -13.431 -3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.419 -15.019 -5.892 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.393 -13.881 -5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.805 -15.518 -8.215 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.779 -14.382 -7.396 1.00 0.00 H new ATOM 0 HH TYR A 73 2.989 -15.971 -9.591 1.00 0.00 H new ATOM 1102 N VAL A 74 6.547 -15.343 -3.437 1.00 0.00 N ATOM 1103 CA VAL A 74 7.813 -15.928 -3.857 1.00 0.00 C ATOM 1104 C VAL A 74 8.045 -17.234 -3.110 1.00 0.00 C ATOM 1105 O VAL A 74 8.685 -18.152 -3.624 1.00 0.00 O ATOM 1106 CB VAL A 74 9.003 -14.973 -3.625 1.00 0.00 C ATOM 1107 CG1 VAL A 74 10.325 -15.675 -3.906 1.00 0.00 C ATOM 1108 CG2 VAL A 74 8.869 -13.735 -4.497 1.00 0.00 C ATOM 0 H VAL A 74 6.617 -14.397 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 74 7.750 -16.115 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 74 8.993 -14.667 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 74 11.149 -14.982 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.430 -16.533 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.344 -16.013 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.716 -13.072 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.851 -14.029 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.944 -13.214 -4.250 1.00 0.00 H new ATOM 1118 N MET A 75 7.489 -17.324 -1.900 1.00 0.00 N ATOM 1119 CA MET A 75 7.609 -18.535 -1.105 1.00 0.00 C ATOM 1120 C MET A 75 6.958 -19.676 -1.860 1.00 0.00 C ATOM 1121 O MET A 75 7.575 -20.717 -2.091 1.00 0.00 O ATOM 1122 CB MET A 75 6.959 -18.358 0.269 1.00 0.00 C ATOM 1123 CG MET A 75 7.089 -19.579 1.164 1.00 0.00 C ATOM 1124 SD MET A 75 6.320 -19.342 2.777 1.00 0.00 S ATOM 1125 CE MET A 75 6.654 -20.923 3.548 1.00 0.00 C ATOM 0 H MET A 75 6.956 -16.576 -1.457 1.00 0.00 H new ATOM 0 HA MET A 75 8.664 -18.755 -0.939 1.00 0.00 H new ATOM 0 HB2 MET A 75 7.412 -17.502 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.902 -18.127 0.135 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.632 -20.437 0.670 1.00 0.00 H new ATOM 0 HG3 MET A 75 8.145 -19.814 1.300 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.238 -20.931 4.556 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.196 -21.718 2.960 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.731 -21.083 3.598 1.00 0.00 H new ATOM 1135 N PHE A 76 5.718 -19.455 -2.295 1.00 0.00 N ATOM 1136 CA PHE A 76 5.012 -20.455 -3.082 1.00 0.00 C ATOM 1137 C PHE A 76 5.881 -20.855 -4.269 1.00 0.00 C ATOM 1138 O PHE A 76 5.901 -22.014 -4.683 1.00 0.00 O ATOM 1139 CB PHE A 76 3.663 -19.911 -3.571 1.00 0.00 C ATOM 1140 CG PHE A 76 3.105 -20.647 -4.761 1.00 0.00 C ATOM 1141 CD1 PHE A 76 3.675 -20.486 -6.015 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.022 -21.503 -4.628 1.00 0.00 C ATOM 1143 CE1 PHE A 76 3.177 -21.161 -7.113 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.520 -22.179 -5.726 1.00 0.00 C ATOM 1145 CZ PHE A 76 2.098 -22.008 -6.967 1.00 0.00 C ATOM 0 H PHE A 76 5.190 -18.601 -2.116 1.00 0.00 H new ATOM 0 HA PHE A 76 4.815 -21.327 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.943 -19.962 -2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.778 -18.858 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.520 -19.824 -6.135 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.566 -21.643 -3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.631 -21.026 -8.083 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.675 -22.841 -5.611 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.706 -22.537 -7.823 1.00 0.00 H new ATOM 1155 N ALA A 77 6.600 -19.872 -4.806 1.00 0.00 N ATOM 1156 CA ALA A 77 7.479 -20.103 -5.946 1.00 0.00 C ATOM 1157 C ALA A 77 8.552 -21.133 -5.610 1.00 0.00 C ATOM 1158 O ALA A 77 9.008 -21.876 -6.480 1.00 0.00 O ATOM 1159 CB ALA A 77 8.116 -18.795 -6.392 1.00 0.00 C ATOM 0 H ALA A 77 6.590 -18.909 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 77 6.879 -20.499 -6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.770 -18.981 -7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.336 -18.090 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.699 -18.376 -5.572 1.00 0.00 H new ATOM 1165 N VAL A 78 8.951 -21.173 -4.343 1.00 0.00 N ATOM 1166 CA VAL A 78 9.969 -22.113 -3.892 1.00 0.00 C ATOM 1167 C VAL A 78 9.351 -23.460 -3.533 1.00 0.00 C ATOM 1168 O VAL A 78 9.636 -24.475 -4.170 1.00 0.00 O ATOM 1169 CB VAL A 78 10.735 -21.567 -2.671 1.00 0.00 C ATOM 1170 CG1 VAL A 78 11.838 -22.527 -2.251 1.00 0.00 C ATOM 1171 CG2 VAL A 78 11.302 -20.189 -2.970 1.00 0.00 C ATOM 0 H VAL A 78 8.584 -20.565 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 78 10.667 -22.246 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 78 10.035 -21.476 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.365 -22.121 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.401 -23.491 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.539 -22.658 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.839 -19.819 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.986 -20.253 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.488 -19.505 -3.211 1.00 0.00 H new