USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=8 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 180:sc= 0 USER MOD Set 1.2: A 73 TYR OH : rot 152:sc= 0.0133 USER MOD Single : A 5 ASN : amide:sc= -0.0132 K(o=-0.013,f=-0.67) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -162:sc= -8.37! (180deg=-9.88!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -176:sc= -5.66! (180deg=-5.83!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.2!) USER MOD Single : A 51 THR OG1 : rot 60:sc= 1.14 USER MOD Single : A 52 GLN : amide:sc= -0.0972 X(o=-0.097,f=-0.097) USER MOD Single : A 57 MET CE :methyl -161:sc= -2.46 (180deg=-3.08) USER MOD Single : A 65 MET CE :methyl 166:sc= -0.064 (180deg=-0.374) USER MOD Single : A 75 MET CE :methyl -157:sc= -0.173 (180deg=-0.908) USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 5 -2.897 -24.236 1.830 1.00 0.00 N ATOM 69 CA ASN A 5 -1.623 -23.554 1.838 1.00 0.00 C ATOM 70 C ASN A 5 -1.613 -22.454 0.791 1.00 0.00 C ATOM 71 O ASN A 5 -1.604 -21.269 1.122 1.00 0.00 O ATOM 72 CB ASN A 5 -0.495 -24.548 1.580 1.00 0.00 C ATOM 73 CG ASN A 5 0.865 -23.972 1.907 1.00 0.00 C ATOM 74 OD1 ASN A 5 1.347 -23.058 1.239 1.00 0.00 O ATOM 75 ND2 ASN A 5 1.479 -24.498 2.957 1.00 0.00 N ATOM 0 HA ASN A 5 -1.469 -23.101 2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.660 -25.445 2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.515 -24.854 0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.393 -24.146 3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.038 -25.255 3.479 1.00 0.00 H new ATOM 82 N MET A 6 -1.636 -22.852 -0.478 1.00 0.00 N ATOM 83 CA MET A 6 -1.652 -21.893 -1.566 1.00 0.00 C ATOM 84 C MET A 6 -2.794 -20.904 -1.373 1.00 0.00 C ATOM 85 O MET A 6 -2.729 -19.767 -1.830 1.00 0.00 O ATOM 86 CB MET A 6 -1.811 -22.601 -2.913 1.00 0.00 C ATOM 87 CG MET A 6 -0.664 -23.533 -3.261 1.00 0.00 C ATOM 88 SD MET A 6 0.940 -22.713 -3.212 1.00 0.00 S ATOM 89 CE MET A 6 2.026 -24.062 -3.670 1.00 0.00 C ATOM 0 H MET A 6 -1.644 -23.829 -0.772 1.00 0.00 H new ATOM 0 HA MET A 6 -0.702 -21.358 -1.562 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.739 -23.172 -2.904 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.906 -21.850 -3.697 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.660 -24.372 -2.565 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.826 -23.945 -4.257 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.058 -23.710 -3.684 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.928 -24.870 -2.945 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.754 -24.428 -4.660 1.00 0.00 H new ATOM 99 N ASP A 7 -3.842 -21.349 -0.689 1.00 0.00 N ATOM 100 CA ASP A 7 -5.000 -20.503 -0.437 1.00 0.00 C ATOM 101 C ASP A 7 -4.657 -19.387 0.542 1.00 0.00 C ATOM 102 O ASP A 7 -5.058 -18.241 0.353 1.00 0.00 O ATOM 103 CB ASP A 7 -6.161 -21.338 0.106 1.00 0.00 C ATOM 104 CG ASP A 7 -7.407 -20.509 0.354 1.00 0.00 C ATOM 105 OD1 ASP A 7 -7.338 -19.560 1.164 1.00 0.00 O ATOM 106 OD2 ASP A 7 -8.451 -20.807 -0.265 1.00 0.00 O ATOM 0 H ASP A 7 -3.913 -22.289 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.300 -20.051 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.393 -22.134 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.856 -21.817 1.037 1.00 0.00 H new ATOM 111 N LEU A 8 -3.919 -19.730 1.590 1.00 0.00 N ATOM 112 CA LEU A 8 -3.533 -18.756 2.603 1.00 0.00 C ATOM 113 C LEU A 8 -2.482 -17.782 2.076 1.00 0.00 C ATOM 114 O LEU A 8 -2.662 -16.569 2.152 1.00 0.00 O ATOM 115 CB LEU A 8 -3.004 -19.467 3.850 1.00 0.00 C ATOM 116 CG LEU A 8 -2.589 -18.544 4.996 1.00 0.00 C ATOM 117 CD1 LEU A 8 -3.770 -17.704 5.458 1.00 0.00 C ATOM 118 CD2 LEU A 8 -2.024 -19.354 6.153 1.00 0.00 C ATOM 0 H LEU A 8 -3.576 -20.675 1.761 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.423 -18.183 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.772 -20.149 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.146 -20.076 3.566 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.811 -17.872 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.456 -17.053 6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.132 -17.097 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.570 -18.359 5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.734 -18.682 6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.782 -20.049 6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.151 -19.912 5.814 1.00 0.00 H new ATOM 130 N LEU A 9 -1.383 -18.315 1.555 1.00 0.00 N ATOM 131 CA LEU A 9 -0.303 -17.480 1.030 1.00 0.00 C ATOM 132 C LEU A 9 -0.791 -16.584 -0.108 1.00 0.00 C ATOM 133 O LEU A 9 -0.501 -15.385 -0.142 1.00 0.00 O ATOM 134 CB LEU A 9 0.851 -18.357 0.539 1.00 0.00 C ATOM 135 CG LEU A 9 1.498 -19.238 1.609 1.00 0.00 C ATOM 136 CD1 LEU A 9 2.621 -20.067 1.009 1.00 0.00 C ATOM 137 CD2 LEU A 9 2.017 -18.383 2.757 1.00 0.00 C ATOM 0 H LEU A 9 -1.214 -19.318 1.484 1.00 0.00 H new ATOM 0 HA LEU A 9 0.045 -16.840 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.484 -18.997 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.618 -17.713 0.108 1.00 0.00 H new ATOM 0 HG LEU A 9 0.742 -19.919 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.070 -20.688 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.221 -20.704 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.379 -19.405 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.475 -19.024 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.759 -17.679 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.189 -17.832 3.204 1.00 0.00 H new ATOM 149 N TYR A 10 -1.521 -17.176 -1.041 1.00 0.00 N ATOM 150 CA TYR A 10 -2.045 -16.448 -2.192 1.00 0.00 C ATOM 151 C TYR A 10 -3.040 -15.377 -1.742 1.00 0.00 C ATOM 152 O TYR A 10 -2.828 -14.179 -1.972 1.00 0.00 O ATOM 153 CB TYR A 10 -2.694 -17.447 -3.148 1.00 0.00 C ATOM 154 CG TYR A 10 -2.898 -16.958 -4.563 1.00 0.00 C ATOM 155 CD1 TYR A 10 -3.105 -15.616 -4.862 1.00 0.00 C ATOM 156 CD2 TYR A 10 -2.897 -17.869 -5.607 1.00 0.00 C ATOM 157 CE1 TYR A 10 -3.300 -15.201 -6.166 1.00 0.00 C ATOM 158 CE2 TYR A 10 -3.092 -17.465 -6.911 1.00 0.00 C ATOM 159 CZ TYR A 10 -3.293 -16.130 -7.187 1.00 0.00 C ATOM 160 OH TYR A 10 -3.488 -15.721 -8.486 1.00 0.00 O ATOM 0 H TYR A 10 -1.767 -18.166 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.234 -15.935 -2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.078 -18.346 -3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.662 -17.737 -2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.114 -14.888 -4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.740 -18.916 -5.395 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.457 -14.155 -6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.087 -18.190 -7.711 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.453 -16.498 -9.082 1.00 0.00 H new ATOM 170 N MET A 11 -4.111 -15.797 -1.072 1.00 0.00 N ATOM 171 CA MET A 11 -5.102 -14.849 -0.575 1.00 0.00 C ATOM 172 C MET A 11 -4.443 -13.855 0.377 1.00 0.00 C ATOM 173 O MET A 11 -4.984 -12.782 0.643 1.00 0.00 O ATOM 174 CB MET A 11 -6.249 -15.567 0.140 1.00 0.00 C ATOM 175 CG MET A 11 -7.272 -16.214 -0.787 1.00 0.00 C ATOM 176 SD MET A 11 -6.543 -17.341 -1.993 1.00 0.00 S ATOM 177 CE MET A 11 -5.926 -16.184 -3.213 1.00 0.00 C ATOM 0 H MET A 11 -4.312 -16.775 -0.863 1.00 0.00 H new ATOM 0 HA MET A 11 -5.515 -14.315 -1.431 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.830 -16.336 0.789 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.762 -14.852 0.783 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.000 -16.759 -0.187 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.817 -15.432 -1.316 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.741 -16.708 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.664 -15.399 -3.376 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.997 -15.740 -2.856 1.00 0.00 H new ATOM 187 N ALA A 12 -3.267 -14.222 0.887 1.00 0.00 N ATOM 188 CA ALA A 12 -2.536 -13.373 1.799 1.00 0.00 C ATOM 189 C ALA A 12 -1.992 -12.159 1.068 1.00 0.00 C ATOM 190 O ALA A 12 -2.260 -11.031 1.448 1.00 0.00 O ATOM 191 CB ALA A 12 -1.410 -14.143 2.471 1.00 0.00 C ATOM 0 H ALA A 12 -2.807 -15.108 0.676 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.222 -13.033 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.874 -13.483 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.826 -14.982 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.722 -14.517 1.713 1.00 0.00 H new ATOM 197 N ALA A 13 -1.224 -12.401 0.013 1.00 0.00 N ATOM 198 CA ALA A 13 -0.647 -11.325 -0.769 1.00 0.00 C ATOM 199 C ALA A 13 -1.703 -10.607 -1.605 1.00 0.00 C ATOM 200 O ALA A 13 -1.468 -9.503 -2.093 1.00 0.00 O ATOM 201 CB ALA A 13 0.462 -11.860 -1.662 1.00 0.00 C ATOM 0 H ALA A 13 -0.988 -13.337 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.226 -10.598 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.887 -11.042 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.240 -12.310 -1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.054 -12.612 -2.337 1.00 0.00 H new ATOM 207 N ALA A 14 -2.877 -11.217 -1.760 1.00 0.00 N ATOM 208 CA ALA A 14 -3.943 -10.591 -2.533 1.00 0.00 C ATOM 209 C ALA A 14 -4.745 -9.669 -1.637 1.00 0.00 C ATOM 210 O ALA A 14 -5.157 -8.578 -2.036 1.00 0.00 O ATOM 211 CB ALA A 14 -4.839 -11.644 -3.167 1.00 0.00 C ATOM 0 H ALA A 14 -3.110 -12.129 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.501 -10.005 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.627 -11.154 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.247 -12.274 -3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.286 -12.259 -2.386 1.00 0.00 H new ATOM 217 N VAL A 15 -4.935 -10.122 -0.412 1.00 0.00 N ATOM 218 CA VAL A 15 -5.655 -9.374 0.596 1.00 0.00 C ATOM 219 C VAL A 15 -4.758 -8.289 1.187 1.00 0.00 C ATOM 220 O VAL A 15 -5.200 -7.174 1.467 1.00 0.00 O ATOM 221 CB VAL A 15 -6.119 -10.336 1.704 1.00 0.00 C ATOM 222 CG1 VAL A 15 -6.597 -9.577 2.937 1.00 0.00 C ATOM 223 CG2 VAL A 15 -7.214 -11.252 1.183 1.00 0.00 C ATOM 0 H VAL A 15 -4.591 -11.026 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.523 -8.896 0.141 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.264 -10.943 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.917 -10.287 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.782 -8.968 3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.434 -8.933 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.532 -11.927 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.063 -10.653 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.833 -11.834 0.344 1.00 0.00 H new ATOM 233 N MET A 16 -3.490 -8.640 1.359 1.00 0.00 N ATOM 234 CA MET A 16 -2.491 -7.731 1.904 1.00 0.00 C ATOM 235 C MET A 16 -2.089 -6.681 0.885 1.00 0.00 C ATOM 236 O MET A 16 -2.064 -5.492 1.193 1.00 0.00 O ATOM 237 CB MET A 16 -1.253 -8.512 2.360 1.00 0.00 C ATOM 238 CG MET A 16 -1.349 -9.031 3.787 1.00 0.00 C ATOM 239 SD MET A 16 -2.823 -10.030 4.073 1.00 0.00 S ATOM 240 CE MET A 16 -2.610 -10.459 5.799 1.00 0.00 C ATOM 0 H MET A 16 -3.125 -9.563 1.124 1.00 0.00 H new ATOM 0 HA MET A 16 -2.934 -7.225 2.762 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.097 -9.354 1.686 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.377 -7.869 2.275 1.00 0.00 H new ATOM 0 HG2 MET A 16 -0.464 -9.626 4.012 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.349 -8.186 4.476 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.445 -11.078 6.126 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.678 -11.011 5.925 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.577 -9.549 6.399 1.00 0.00 H new ATOM 250 N MET A 17 -1.766 -7.115 -0.330 1.00 0.00 N ATOM 251 CA MET A 17 -1.362 -6.173 -1.361 1.00 0.00 C ATOM 252 C MET A 17 -2.565 -5.473 -1.946 1.00 0.00 C ATOM 253 O MET A 17 -2.487 -4.311 -2.331 1.00 0.00 O ATOM 254 CB MET A 17 -0.576 -6.868 -2.473 1.00 0.00 C ATOM 255 CG MET A 17 0.591 -7.704 -1.978 1.00 0.00 C ATOM 256 SD MET A 17 1.563 -8.400 -3.332 1.00 0.00 S ATOM 257 CE MET A 17 0.322 -9.371 -4.184 1.00 0.00 C ATOM 0 H MET A 17 -1.776 -8.093 -0.618 1.00 0.00 H new ATOM 0 HA MET A 17 -0.713 -5.434 -0.892 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.254 -7.508 -3.037 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.201 -6.113 -3.164 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.236 -7.088 -1.351 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.215 -8.513 -1.351 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.788 -9.918 -5.004 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.130 -10.077 -3.487 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.448 -8.710 -4.581 1.00 0.00 H new ATOM 267 N GLY A 18 -3.687 -6.163 -1.993 1.00 0.00 N ATOM 268 CA GLY A 18 -4.872 -5.532 -2.504 1.00 0.00 C ATOM 269 C GLY A 18 -5.290 -4.412 -1.583 1.00 0.00 C ATOM 270 O GLY A 18 -5.425 -3.261 -1.997 1.00 0.00 O ATOM 0 H GLY A 18 -3.797 -7.131 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.685 -5.142 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.676 -6.263 -2.591 1.00 0.00 H new ATOM 274 N LEU A 19 -5.472 -4.760 -0.316 1.00 0.00 N ATOM 275 CA LEU A 19 -5.873 -3.800 0.698 1.00 0.00 C ATOM 276 C LEU A 19 -4.784 -2.763 0.991 1.00 0.00 C ATOM 277 O LEU A 19 -5.104 -1.616 1.308 1.00 0.00 O ATOM 278 CB LEU A 19 -6.256 -4.540 1.985 1.00 0.00 C ATOM 279 CG LEU A 19 -6.871 -3.677 3.095 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.477 -4.562 4.174 1.00 0.00 C ATOM 281 CD2 LEU A 19 -5.829 -2.746 3.702 1.00 0.00 C ATOM 0 H LEU A 19 -5.346 -5.710 0.034 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.734 -3.255 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.963 -5.329 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.364 -5.026 2.381 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.658 -3.066 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.910 -3.938 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.255 -5.188 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.701 -5.195 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.290 -2.145 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.017 -3.336 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.433 -2.089 2.928 1.00 0.00 H new ATOM 293 N ALA A 20 -3.503 -3.139 0.906 1.00 0.00 N ATOM 294 CA ALA A 20 -2.448 -2.176 1.206 1.00 0.00 C ATOM 295 C ALA A 20 -2.032 -1.391 -0.014 1.00 0.00 C ATOM 296 O ALA A 20 -2.079 -0.169 -0.011 1.00 0.00 O ATOM 297 CB ALA A 20 -1.250 -2.862 1.825 1.00 0.00 C ATOM 0 H ALA A 20 -3.183 -4.071 0.641 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.859 -1.469 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.478 -2.123 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.550 -3.352 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.858 -3.606 1.131 1.00 0.00 H new ATOM 303 N ALA A 21 -1.623 -2.085 -1.060 1.00 0.00 N ATOM 304 CA ALA A 21 -1.212 -1.409 -2.275 1.00 0.00 C ATOM 305 C ALA A 21 -2.322 -0.477 -2.747 1.00 0.00 C ATOM 306 O ALA A 21 -2.054 0.625 -3.227 1.00 0.00 O ATOM 307 CB ALA A 21 -0.848 -2.413 -3.358 1.00 0.00 C ATOM 0 H ALA A 21 -1.567 -3.103 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.322 -0.816 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.543 -1.881 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.027 -3.040 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.713 -3.038 -3.580 1.00 0.00 H new ATOM 313 N ILE A 22 -3.578 -0.910 -2.584 1.00 0.00 N ATOM 314 CA ILE A 22 -4.707 -0.080 -2.975 1.00 0.00 C ATOM 315 C ILE A 22 -4.998 0.955 -1.893 1.00 0.00 C ATOM 316 O ILE A 22 -5.265 2.114 -2.201 1.00 0.00 O ATOM 317 CB ILE A 22 -5.973 -0.909 -3.244 1.00 0.00 C ATOM 318 CG1 ILE A 22 -5.707 -1.954 -4.330 1.00 0.00 C ATOM 319 CG2 ILE A 22 -7.127 -0.003 -3.651 1.00 0.00 C ATOM 320 CD1 ILE A 22 -5.322 -1.354 -5.664 1.00 0.00 C ATOM 0 H ILE A 22 -3.829 -1.817 -2.190 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.431 0.419 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.248 -1.427 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.910 -2.619 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.599 -2.566 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.015 -0.607 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.332 0.707 -2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.861 0.540 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.148 -2.152 -6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.127 -0.712 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.412 -0.765 -5.549 1.00 0.00 H new ATOM 332 N GLY A 23 -4.919 0.548 -0.620 1.00 0.00 N ATOM 333 CA GLY A 23 -5.155 1.498 0.453 1.00 0.00 C ATOM 334 C GLY A 23 -4.209 2.674 0.335 1.00 0.00 C ATOM 335 O GLY A 23 -4.571 3.819 0.609 1.00 0.00 O ATOM 0 H GLY A 23 -4.700 -0.403 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.187 1.848 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.018 1.008 1.417 1.00 0.00 H new ATOM 339 N ALA A 24 -2.997 2.370 -0.114 1.00 0.00 N ATOM 340 CA ALA A 24 -1.965 3.368 -0.324 1.00 0.00 C ATOM 341 C ALA A 24 -2.326 4.234 -1.517 1.00 0.00 C ATOM 342 O ALA A 24 -2.386 5.457 -1.416 1.00 0.00 O ATOM 343 CB ALA A 24 -0.628 2.683 -0.552 1.00 0.00 C ATOM 0 H ALA A 24 -2.705 1.420 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.888 4.002 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.144 3.436 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.375 2.080 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.693 2.041 -1.430 1.00 0.00 H new ATOM 349 N ALA A 25 -2.580 3.586 -2.653 1.00 0.00 N ATOM 350 CA ALA A 25 -2.949 4.305 -3.869 1.00 0.00 C ATOM 351 C ALA A 25 -4.134 5.235 -3.608 1.00 0.00 C ATOM 352 O ALA A 25 -4.011 6.462 -3.680 1.00 0.00 O ATOM 353 CB ALA A 25 -3.280 3.325 -4.984 1.00 0.00 C ATOM 0 H ALA A 25 -2.537 2.572 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.099 4.912 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.553 3.876 -5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.410 2.701 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.114 2.694 -4.678 1.00 0.00 H new ATOM 359 N ILE A 26 -5.279 4.640 -3.288 1.00 0.00 N ATOM 360 CA ILE A 26 -6.486 5.404 -3.000 1.00 0.00 C ATOM 361 C ILE A 26 -6.190 6.532 -2.032 1.00 0.00 C ATOM 362 O ILE A 26 -6.557 7.666 -2.289 1.00 0.00 O ATOM 363 CB ILE A 26 -7.598 4.517 -2.410 1.00 0.00 C ATOM 364 CG1 ILE A 26 -7.915 3.358 -3.359 1.00 0.00 C ATOM 365 CG2 ILE A 26 -8.850 5.341 -2.136 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.038 2.467 -2.870 1.00 0.00 C ATOM 0 H ILE A 26 -5.395 3.629 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.833 5.814 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.246 4.104 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.181 3.761 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.017 2.755 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.625 4.698 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.616 6.134 -1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.206 5.782 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.209 1.668 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.767 2.035 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.948 3.056 -2.760 1.00 0.00 H new ATOM 378 N GLY A 27 -5.515 6.225 -0.927 1.00 0.00 N ATOM 379 CA GLY A 27 -5.188 7.262 0.034 1.00 0.00 C ATOM 380 C GLY A 27 -4.530 8.442 -0.621 1.00 0.00 C ATOM 381 O GLY A 27 -5.067 9.539 -0.605 1.00 0.00 O ATOM 0 H GLY A 27 -5.193 5.289 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.097 7.587 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.526 6.854 0.798 1.00 0.00 H new ATOM 385 N ILE A 28 -3.371 8.217 -1.224 1.00 0.00 N ATOM 386 CA ILE A 28 -2.664 9.287 -1.911 1.00 0.00 C ATOM 387 C ILE A 28 -3.648 10.100 -2.739 1.00 0.00 C ATOM 388 O ILE A 28 -3.518 11.317 -2.871 1.00 0.00 O ATOM 389 CB ILE A 28 -1.556 8.727 -2.818 1.00 0.00 C ATOM 390 CG1 ILE A 28 -0.589 7.886 -1.986 1.00 0.00 C ATOM 391 CG2 ILE A 28 -0.818 9.854 -3.525 1.00 0.00 C ATOM 392 CD1 ILE A 28 0.434 7.142 -2.814 1.00 0.00 C ATOM 0 H ILE A 28 -2.904 7.311 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.198 9.927 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.009 8.095 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.070 8.535 -1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.160 7.168 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.038 9.435 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.520 10.421 -4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.366 10.514 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.086 6.567 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.076 6.466 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.030 7.856 -3.382 1.00 0.00 H new ATOM 404 N GLY A 29 -4.660 9.411 -3.264 1.00 0.00 N ATOM 405 CA GLY A 29 -5.679 10.080 -4.043 1.00 0.00 C ATOM 406 C GLY A 29 -6.638 10.865 -3.169 1.00 0.00 C ATOM 407 O GLY A 29 -7.001 11.998 -3.494 1.00 0.00 O ATOM 0 H GLY A 29 -4.789 8.404 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.205 10.753 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.236 9.343 -4.621 1.00 0.00 H new ATOM 411 N ILE A 30 -7.044 10.270 -2.046 1.00 0.00 N ATOM 412 CA ILE A 30 -7.961 10.936 -1.127 1.00 0.00 C ATOM 413 C ILE A 30 -7.247 12.061 -0.392 1.00 0.00 C ATOM 414 O ILE A 30 -7.581 13.236 -0.549 1.00 0.00 O ATOM 415 CB ILE A 30 -8.545 9.946 -0.098 1.00 0.00 C ATOM 416 CG1 ILE A 30 -9.252 8.793 -0.813 1.00 0.00 C ATOM 417 CG2 ILE A 30 -9.507 10.660 0.843 1.00 0.00 C ATOM 418 CD1 ILE A 30 -9.835 7.763 0.131 1.00 0.00 C ATOM 0 H ILE A 30 -6.754 9.336 -1.755 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.780 11.345 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.726 9.537 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.051 9.197 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.545 8.302 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.909 9.946 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.977 11.451 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.324 11.095 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.321 6.975 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.038 7.331 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.567 8.240 0.783 1.00 0.00 H new ATOM 430 N LEU A 31 -6.245 11.684 0.389 1.00 0.00 N ATOM 431 CA LEU A 31 -5.447 12.626 1.140 1.00 0.00 C ATOM 432 C LEU A 31 -4.799 13.646 0.208 1.00 0.00 C ATOM 433 O LEU A 31 -4.704 14.825 0.538 1.00 0.00 O ATOM 434 CB LEU A 31 -4.384 11.857 1.925 1.00 0.00 C ATOM 435 CG LEU A 31 -4.649 11.730 3.425 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.537 10.940 4.098 1.00 0.00 C ATOM 437 CD2 LEU A 31 -4.785 13.106 4.059 1.00 0.00 C ATOM 0 H LEU A 31 -5.966 10.711 0.516 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.085 13.173 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.295 10.856 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.422 12.350 1.782 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.586 11.191 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.742 10.860 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.485 9.942 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.586 11.451 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.973 12.997 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.864 13.669 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.616 13.639 3.596 1.00 0.00 H new ATOM 449 N GLY A 32 -4.360 13.188 -0.961 1.00 0.00 N ATOM 450 CA GLY A 32 -3.738 14.086 -1.914 1.00 0.00 C ATOM 451 C GLY A 32 -4.744 14.993 -2.595 1.00 0.00 C ATOM 452 O GLY A 32 -4.406 16.097 -3.020 1.00 0.00 O ATOM 0 H GLY A 32 -4.424 12.216 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.992 14.694 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.210 13.502 -2.668 1.00 0.00 H new ATOM 456 N GLY A 33 -5.984 14.522 -2.707 1.00 0.00 N ATOM 457 CA GLY A 33 -7.019 15.309 -3.353 1.00 0.00 C ATOM 458 C GLY A 33 -7.773 16.221 -2.397 1.00 0.00 C ATOM 459 O GLY A 33 -8.491 17.119 -2.836 1.00 0.00 O ATOM 0 H GLY A 33 -6.289 13.612 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.567 15.914 -4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.728 14.636 -3.836 1.00 0.00 H new ATOM 463 N LYS A 34 -7.626 15.995 -1.092 1.00 0.00 N ATOM 464 CA LYS A 34 -8.323 16.815 -0.101 1.00 0.00 C ATOM 465 C LYS A 34 -7.348 17.646 0.728 1.00 0.00 C ATOM 466 O LYS A 34 -7.555 18.842 0.935 1.00 0.00 O ATOM 467 CB LYS A 34 -9.164 15.935 0.829 1.00 0.00 C ATOM 468 CG LYS A 34 -8.342 15.073 1.774 1.00 0.00 C ATOM 469 CD LYS A 34 -9.226 14.160 2.608 1.00 0.00 C ATOM 470 CE LYS A 34 -8.403 13.301 3.555 1.00 0.00 C ATOM 471 NZ LYS A 34 -9.260 12.400 4.374 1.00 0.00 N ATOM 0 H LYS A 34 -7.038 15.260 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.976 17.496 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.825 16.572 1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.800 15.289 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.637 14.472 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.754 15.712 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.933 14.760 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.812 13.519 1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.694 12.705 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.819 13.944 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.661 11.831 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.920 12.970 4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.799 11.769 3.747 1.00 0.00 H new ATOM 485 N PHE A 35 -6.295 17.001 1.215 1.00 0.00 N ATOM 486 CA PHE A 35 -5.298 17.673 2.040 1.00 0.00 C ATOM 487 C PHE A 35 -4.763 18.923 1.343 1.00 0.00 C ATOM 488 O PHE A 35 -4.403 19.904 1.994 1.00 0.00 O ATOM 489 CB PHE A 35 -4.142 16.716 2.345 1.00 0.00 C ATOM 490 CG PHE A 35 -3.288 17.106 3.522 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.670 18.118 4.394 1.00 0.00 C ATOM 492 CD2 PHE A 35 -2.100 16.438 3.762 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.877 18.452 5.476 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.307 16.768 4.840 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.695 17.774 5.699 1.00 0.00 C ATOM 0 H PHE A 35 -6.109 16.011 1.053 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.775 17.976 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.551 15.722 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.507 16.644 1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.595 18.649 4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.790 15.647 3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.182 19.242 6.146 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.382 16.238 5.012 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.075 18.031 6.545 1.00 0.00 H new ATOM 505 N LEU A 36 -4.714 18.874 0.015 1.00 0.00 N ATOM 506 CA LEU A 36 -4.221 19.996 -0.776 1.00 0.00 C ATOM 507 C LEU A 36 -5.206 21.161 -0.754 1.00 0.00 C ATOM 508 O LEU A 36 -4.812 22.317 -0.599 1.00 0.00 O ATOM 509 CB LEU A 36 -3.970 19.554 -2.220 1.00 0.00 C ATOM 510 CG LEU A 36 -3.443 20.646 -3.152 1.00 0.00 C ATOM 511 CD1 LEU A 36 -2.116 21.187 -2.644 1.00 0.00 C ATOM 512 CD2 LEU A 36 -3.296 20.111 -4.568 1.00 0.00 C ATOM 0 H LEU A 36 -5.010 18.068 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.283 20.333 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.257 18.730 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.902 19.166 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.163 21.464 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.757 21.963 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.252 21.608 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.387 20.378 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.920 20.901 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.596 19.275 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.266 19.773 -4.932 1.00 0.00 H new ATOM 524 N GLU A 37 -6.489 20.849 -0.909 1.00 0.00 N ATOM 525 CA GLU A 37 -7.534 21.872 -0.906 1.00 0.00 C ATOM 526 C GLU A 37 -7.454 22.735 0.349 1.00 0.00 C ATOM 527 O GLU A 37 -7.914 23.878 0.357 1.00 0.00 O ATOM 528 CB GLU A 37 -8.913 21.221 -1.005 1.00 0.00 C ATOM 529 CG GLU A 37 -9.107 20.384 -2.260 1.00 0.00 C ATOM 530 CD GLU A 37 -9.013 21.205 -3.534 1.00 0.00 C ATOM 531 OE1 GLU A 37 -8.823 22.436 -3.437 1.00 0.00 O ATOM 532 OE2 GLU A 37 -9.133 20.616 -4.628 1.00 0.00 O ATOM 0 H GLU A 37 -6.832 19.897 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.379 22.514 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.070 20.590 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.675 22.000 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.355 19.595 -2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.081 19.895 -2.219 1.00 0.00 H new ATOM 539 N GLY A 38 -6.866 22.187 1.409 1.00 0.00 N ATOM 540 CA GLY A 38 -6.737 22.927 2.650 1.00 0.00 C ATOM 541 C GLY A 38 -5.513 23.825 2.673 1.00 0.00 C ATOM 542 O GLY A 38 -5.176 24.395 3.711 1.00 0.00 O ATOM 0 H GLY A 38 -6.477 21.244 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.630 23.533 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.683 22.225 3.483 1.00 0.00 H new ATOM 546 N ALA A 39 -4.847 23.958 1.529 1.00 0.00 N ATOM 547 CA ALA A 39 -3.666 24.793 1.427 1.00 0.00 C ATOM 548 C ALA A 39 -3.352 25.145 -0.026 1.00 0.00 C ATOM 549 O ALA A 39 -2.218 25.489 -0.356 1.00 0.00 O ATOM 550 CB ALA A 39 -2.475 24.108 2.078 1.00 0.00 C ATOM 0 H ALA A 39 -5.111 23.494 0.660 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.870 25.724 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.596 24.747 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.691 23.926 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.283 23.159 1.577 1.00 0.00 H new ATOM 556 N ALA A 40 -4.361 25.061 -0.889 1.00 0.00 N ATOM 557 CA ALA A 40 -4.184 25.373 -2.296 1.00 0.00 C ATOM 558 C ALA A 40 -3.876 26.852 -2.491 1.00 0.00 C ATOM 559 O ALA A 40 -3.198 27.237 -3.444 1.00 0.00 O ATOM 560 CB ALA A 40 -5.424 24.980 -3.085 1.00 0.00 C ATOM 0 H ALA A 40 -5.308 24.779 -0.634 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.336 24.798 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.276 25.220 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.599 23.910 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.286 25.529 -2.705 1.00 0.00 H new ATOM 566 N ARG A 41 -4.377 27.676 -1.578 1.00 0.00 N ATOM 567 CA ARG A 41 -4.157 29.114 -1.641 1.00 0.00 C ATOM 568 C ARG A 41 -2.765 29.470 -1.141 1.00 0.00 C ATOM 569 O ARG A 41 -2.064 30.284 -1.742 1.00 0.00 O ATOM 570 CB ARG A 41 -5.203 29.853 -0.806 1.00 0.00 C ATOM 571 CG ARG A 41 -6.620 29.742 -1.344 1.00 0.00 C ATOM 572 CD ARG A 41 -7.153 28.316 -1.264 1.00 0.00 C ATOM 573 NE ARG A 41 -7.120 27.790 0.100 1.00 0.00 N ATOM 574 CZ ARG A 41 -7.865 28.264 1.097 1.00 0.00 C ATOM 575 NH1 ARG A 41 -8.739 29.239 0.878 1.00 0.00 N ATOM 576 NH2 ARG A 41 -7.746 27.749 2.313 1.00 0.00 N ATOM 0 H ARG A 41 -4.940 27.371 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.248 29.421 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.181 29.463 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.929 30.906 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.275 30.406 -0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.641 30.079 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.177 28.291 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.562 27.672 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.489 27.014 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.843 29.630 -0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.306 29.597 1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.085 26.991 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.316 28.111 3.078 1.00 0.00 H new ATOM 590 N GLN A 42 -2.374 28.856 -0.032 1.00 0.00 N ATOM 591 CA GLN A 42 -1.069 29.105 0.560 1.00 0.00 C ATOM 592 C GLN A 42 0.048 28.755 -0.421 1.00 0.00 C ATOM 593 O GLN A 42 -0.163 27.989 -1.362 1.00 0.00 O ATOM 594 CB GLN A 42 -0.912 28.292 1.846 1.00 0.00 C ATOM 595 CG GLN A 42 -1.949 28.622 2.908 1.00 0.00 C ATOM 596 CD GLN A 42 -1.890 30.071 3.353 1.00 0.00 C ATOM 597 OE1 GLN A 42 -2.085 30.987 2.554 1.00 0.00 O ATOM 598 NE2 GLN A 42 -1.620 30.285 4.634 1.00 0.00 N ATOM 0 H GLN A 42 -2.945 28.180 0.476 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.997 30.166 0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.977 27.231 1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.083 28.466 2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.944 28.406 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.798 27.974 3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.465 29.496 5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.567 31.239 4.992 1.00 0.00 H new ATOM 607 N PRO A 43 1.259 29.304 -0.215 1.00 0.00 N ATOM 608 CA PRO A 43 2.402 29.029 -1.091 1.00 0.00 C ATOM 609 C PRO A 43 2.766 27.554 -1.090 1.00 0.00 C ATOM 610 O PRO A 43 2.490 26.843 -0.129 1.00 0.00 O ATOM 611 CB PRO A 43 3.539 29.866 -0.493 1.00 0.00 C ATOM 612 CG PRO A 43 3.116 30.161 0.905 1.00 0.00 C ATOM 613 CD PRO A 43 1.615 30.219 0.883 1.00 0.00 C ATOM 0 HA PRO A 43 2.190 29.279 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.482 29.319 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.692 30.784 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.466 29.388 1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.537 31.106 1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.186 29.896 1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.254 31.231 0.697 1.00 0.00 H new ATOM 621 N ASP A 44 3.386 27.096 -2.170 1.00 0.00 N ATOM 622 CA ASP A 44 3.782 25.698 -2.281 1.00 0.00 C ATOM 623 C ASP A 44 5.081 25.433 -1.524 1.00 0.00 C ATOM 624 O ASP A 44 5.923 24.656 -1.974 1.00 0.00 O ATOM 625 CB ASP A 44 3.946 25.307 -3.751 1.00 0.00 C ATOM 626 CG ASP A 44 5.003 26.135 -4.455 1.00 0.00 C ATOM 627 OD1 ASP A 44 4.850 27.374 -4.506 1.00 0.00 O ATOM 628 OD2 ASP A 44 5.985 25.546 -4.953 1.00 0.00 O ATOM 0 H ASP A 44 3.625 27.670 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 44 2.995 25.090 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.212 24.252 -3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.992 25.427 -4.265 1.00 0.00 H new ATOM 633 N LEU A 45 5.240 26.082 -0.376 1.00 0.00 N ATOM 634 CA LEU A 45 6.440 25.912 0.435 1.00 0.00 C ATOM 635 C LEU A 45 6.156 25.059 1.662 1.00 0.00 C ATOM 636 O LEU A 45 6.722 23.979 1.828 1.00 0.00 O ATOM 637 CB LEU A 45 6.992 27.280 0.851 1.00 0.00 C ATOM 638 CG LEU A 45 8.356 27.259 1.551 1.00 0.00 C ATOM 639 CD1 LEU A 45 8.263 26.580 2.909 1.00 0.00 C ATOM 640 CD2 LEU A 45 9.390 26.563 0.678 1.00 0.00 C ATOM 0 H LEU A 45 4.555 26.729 0.013 1.00 0.00 H new ATOM 0 HA LEU A 45 7.188 25.395 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.069 27.906 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.270 27.756 1.515 1.00 0.00 H new ATOM 0 HG LEU A 45 8.670 28.290 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.244 26.579 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.556 27.121 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.922 25.553 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.353 26.557 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.074 25.538 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.485 27.096 -0.268 1.00 0.00 H new ATOM 652 N ILE A 46 5.287 25.560 2.522 1.00 0.00 N ATOM 653 CA ILE A 46 4.930 24.863 3.747 1.00 0.00 C ATOM 654 C ILE A 46 3.924 23.736 3.500 1.00 0.00 C ATOM 655 O ILE A 46 4.117 22.618 3.977 1.00 0.00 O ATOM 656 CB ILE A 46 4.346 25.852 4.764 1.00 0.00 C ATOM 657 CG1 ILE A 46 5.396 26.894 5.155 1.00 0.00 C ATOM 658 CG2 ILE A 46 3.822 25.125 5.998 1.00 0.00 C ATOM 659 CD1 ILE A 46 4.893 27.917 6.151 1.00 0.00 C ATOM 0 H ILE A 46 4.812 26.453 2.394 1.00 0.00 H new ATOM 0 HA ILE A 46 5.843 24.416 4.140 1.00 0.00 H new ATOM 0 HB ILE A 46 3.505 26.364 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.262 26.384 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.736 27.410 4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.414 25.850 6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.040 24.426 5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.637 24.579 6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.691 28.623 6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.045 28.454 5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.580 27.412 7.065 1.00 0.00 H new ATOM 671 N PRO A 47 2.826 24.007 2.768 1.00 0.00 N ATOM 672 CA PRO A 47 1.807 22.992 2.500 1.00 0.00 C ATOM 673 C PRO A 47 2.284 21.928 1.520 1.00 0.00 C ATOM 674 O PRO A 47 1.993 20.745 1.690 1.00 0.00 O ATOM 675 CB PRO A 47 0.648 23.792 1.908 1.00 0.00 C ATOM 676 CG PRO A 47 1.291 24.984 1.296 1.00 0.00 C ATOM 677 CD PRO A 47 2.482 25.306 2.159 1.00 0.00 C ATOM 0 HA PRO A 47 1.540 22.440 3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.103 23.210 1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.069 24.079 2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.597 24.778 0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.598 25.825 1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.308 25.705 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.240 26.053 2.915 1.00 0.00 H new ATOM 685 N LEU A 48 3.022 22.348 0.499 1.00 0.00 N ATOM 686 CA LEU A 48 3.536 21.412 -0.492 1.00 0.00 C ATOM 687 C LEU A 48 4.435 20.378 0.173 1.00 0.00 C ATOM 688 O LEU A 48 4.516 19.234 -0.274 1.00 0.00 O ATOM 689 CB LEU A 48 4.312 22.150 -1.586 1.00 0.00 C ATOM 690 CG LEU A 48 4.890 21.252 -2.682 1.00 0.00 C ATOM 691 CD1 LEU A 48 3.776 20.519 -3.417 1.00 0.00 C ATOM 692 CD2 LEU A 48 5.728 22.068 -3.656 1.00 0.00 C ATOM 0 H LEU A 48 3.276 23.322 0.337 1.00 0.00 H new ATOM 0 HA LEU A 48 2.688 20.904 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.651 22.884 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.128 22.704 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 48 5.536 20.510 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.207 19.886 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.220 19.902 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.103 21.244 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.130 21.412 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.105 22.834 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.549 22.543 -3.120 1.00 0.00 H new ATOM 704 N LEU A 49 5.100 20.790 1.251 1.00 0.00 N ATOM 705 CA LEU A 49 5.990 19.914 1.995 1.00 0.00 C ATOM 706 C LEU A 49 5.195 18.829 2.724 1.00 0.00 C ATOM 707 O LEU A 49 5.545 17.649 2.678 1.00 0.00 O ATOM 708 CB LEU A 49 6.828 20.754 2.970 1.00 0.00 C ATOM 709 CG LEU A 49 7.011 20.177 4.373 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.678 18.810 4.312 1.00 0.00 C ATOM 711 CD2 LEU A 49 7.822 21.129 5.238 1.00 0.00 C ATOM 0 H LEU A 49 5.035 21.736 1.628 1.00 0.00 H new ATOM 0 HA LEU A 49 6.665 19.407 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.814 20.906 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.365 21.736 3.061 1.00 0.00 H new ATOM 0 HG LEU A 49 6.026 20.055 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.798 18.418 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.058 18.128 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.656 18.903 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.943 20.702 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.803 21.284 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.303 22.084 5.313 1.00 0.00 H new ATOM 723 N ARG A 50 4.116 19.227 3.384 1.00 0.00 N ATOM 724 CA ARG A 50 3.280 18.270 4.092 1.00 0.00 C ATOM 725 C ARG A 50 2.434 17.489 3.102 1.00 0.00 C ATOM 726 O ARG A 50 2.231 16.281 3.247 1.00 0.00 O ATOM 727 CB ARG A 50 2.383 18.971 5.108 1.00 0.00 C ATOM 728 CG ARG A 50 1.542 20.090 4.518 1.00 0.00 C ATOM 729 CD ARG A 50 0.350 20.389 5.403 1.00 0.00 C ATOM 730 NE ARG A 50 -0.384 21.580 4.979 1.00 0.00 N ATOM 731 CZ ARG A 50 -1.433 22.073 5.634 1.00 0.00 C ATOM 732 NH1 ARG A 50 -1.877 21.478 6.735 1.00 0.00 N ATOM 733 NH2 ARG A 50 -2.039 23.164 5.188 1.00 0.00 N ATOM 0 H ARG A 50 3.802 20.196 3.444 1.00 0.00 H new ATOM 0 HA ARG A 50 3.931 17.582 4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.721 18.234 5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.004 19.378 5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.150 20.987 4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.200 19.808 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.324 19.532 5.400 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.690 20.523 6.430 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.075 22.060 4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.414 20.639 7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.681 21.860 7.233 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.702 23.626 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.843 23.542 5.689 1.00 0.00 H new ATOM 747 N THR A 51 1.955 18.189 2.083 1.00 0.00 N ATOM 748 CA THR A 51 1.145 17.576 1.046 1.00 0.00 C ATOM 749 C THR A 51 1.884 16.394 0.438 1.00 0.00 C ATOM 750 O THR A 51 1.307 15.331 0.215 1.00 0.00 O ATOM 751 CB THR A 51 0.824 18.605 -0.034 1.00 0.00 C ATOM 752 OG1 THR A 51 0.077 19.682 0.505 1.00 0.00 O ATOM 753 CG2 THR A 51 0.043 18.038 -1.200 1.00 0.00 C ATOM 0 H THR A 51 2.116 19.188 1.954 1.00 0.00 H new ATOM 0 HA THR A 51 0.214 17.219 1.485 1.00 0.00 H new ATOM 0 HB THR A 51 1.793 18.941 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.593 20.114 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.149 18.827 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.619 17.242 -1.671 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.905 17.637 -0.842 1.00 0.00 H new ATOM 761 N GLN A 52 3.175 16.585 0.192 1.00 0.00 N ATOM 762 CA GLN A 52 3.998 15.527 -0.372 1.00 0.00 C ATOM 763 C GLN A 52 4.213 14.439 0.662 1.00 0.00 C ATOM 764 O GLN A 52 4.095 13.253 0.370 1.00 0.00 O ATOM 765 CB GLN A 52 5.344 16.076 -0.843 1.00 0.00 C ATOM 766 CG GLN A 52 6.121 16.809 0.233 1.00 0.00 C ATOM 767 CD GLN A 52 7.492 17.257 -0.239 1.00 0.00 C ATOM 768 OE1 GLN A 52 7.613 18.020 -1.197 1.00 0.00 O ATOM 769 NE2 GLN A 52 8.534 16.781 0.434 1.00 0.00 N ATOM 0 H GLN A 52 3.670 17.458 0.374 1.00 0.00 H new ATOM 0 HA GLN A 52 3.480 15.108 -1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.951 15.251 -1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.176 16.753 -1.680 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.551 17.679 0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.234 16.159 1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.387 16.151 1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.481 17.046 0.162 1.00 0.00 H new ATOM 778 N PHE A 53 4.515 14.863 1.881 1.00 0.00 N ATOM 779 CA PHE A 53 4.733 13.936 2.986 1.00 0.00 C ATOM 780 C PHE A 53 3.624 12.894 3.042 1.00 0.00 C ATOM 781 O PHE A 53 3.869 11.726 3.337 1.00 0.00 O ATOM 782 CB PHE A 53 4.793 14.702 4.311 1.00 0.00 C ATOM 783 CG PHE A 53 5.045 13.825 5.503 1.00 0.00 C ATOM 784 CD1 PHE A 53 6.199 13.061 5.586 1.00 0.00 C ATOM 785 CD2 PHE A 53 4.128 13.762 6.540 1.00 0.00 C ATOM 786 CE1 PHE A 53 6.434 12.253 6.681 1.00 0.00 C ATOM 787 CE2 PHE A 53 4.358 12.955 7.638 1.00 0.00 C ATOM 788 CZ PHE A 53 5.512 12.199 7.709 1.00 0.00 C ATOM 0 H PHE A 53 4.615 15.847 2.132 1.00 0.00 H new ATOM 0 HA PHE A 53 5.682 13.425 2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.580 15.454 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.853 15.235 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.923 13.098 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.224 14.350 6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.338 11.664 6.734 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.636 12.915 8.440 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.693 11.567 8.566 1.00 0.00 H new ATOM 798 N PHE A 54 2.405 13.327 2.749 1.00 0.00 N ATOM 799 CA PHE A 54 1.256 12.433 2.760 1.00 0.00 C ATOM 800 C PHE A 54 1.194 11.603 1.481 1.00 0.00 C ATOM 801 O PHE A 54 1.015 10.385 1.534 1.00 0.00 O ATOM 802 CB PHE A 54 -0.033 13.230 2.959 1.00 0.00 C ATOM 803 CG PHE A 54 -0.254 13.644 4.388 1.00 0.00 C ATOM 804 CD1 PHE A 54 0.785 14.173 5.142 1.00 0.00 C ATOM 805 CD2 PHE A 54 -1.499 13.503 4.979 1.00 0.00 C ATOM 806 CE1 PHE A 54 0.583 14.553 6.456 1.00 0.00 C ATOM 807 CE2 PHE A 54 -1.707 13.883 6.292 1.00 0.00 C ATOM 808 CZ PHE A 54 -0.665 14.408 7.031 1.00 0.00 C ATOM 0 H PHE A 54 2.187 14.292 2.501 1.00 0.00 H new ATOM 0 HA PHE A 54 1.367 11.742 3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.005 14.119 2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.880 12.630 2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.762 14.289 4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.317 13.091 4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.400 14.963 7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.683 13.769 6.739 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.825 14.705 8.057 1.00 0.00 H new ATOM 818 N ILE A 55 1.364 12.254 0.331 1.00 0.00 N ATOM 819 CA ILE A 55 1.346 11.546 -0.944 1.00 0.00 C ATOM 820 C ILE A 55 2.338 10.386 -0.915 1.00 0.00 C ATOM 821 O ILE A 55 2.018 9.265 -1.314 1.00 0.00 O ATOM 822 CB ILE A 55 1.679 12.492 -2.119 1.00 0.00 C ATOM 823 CG1 ILE A 55 0.591 13.557 -2.264 1.00 0.00 C ATOM 824 CG2 ILE A 55 1.834 11.708 -3.416 1.00 0.00 C ATOM 825 CD1 ILE A 55 0.870 14.561 -3.363 1.00 0.00 C ATOM 0 H ILE A 55 1.514 13.260 0.258 1.00 0.00 H new ATOM 0 HA ILE A 55 0.339 11.158 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 55 2.627 12.987 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.362 13.067 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.484 14.087 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.068 12.394 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.641 10.983 -3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.904 11.185 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.057 15.286 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.806 15.078 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.947 14.042 -4.319 1.00 0.00 H new ATOM 837 N VAL A 56 3.538 10.660 -0.411 1.00 0.00 N ATOM 838 CA VAL A 56 4.564 9.637 -0.301 1.00 0.00 C ATOM 839 C VAL A 56 4.220 8.692 0.835 1.00 0.00 C ATOM 840 O VAL A 56 4.336 7.476 0.694 1.00 0.00 O ATOM 841 CB VAL A 56 5.959 10.244 -0.065 1.00 0.00 C ATOM 842 CG1 VAL A 56 7.023 9.156 -0.026 1.00 0.00 C ATOM 843 CG2 VAL A 56 6.280 11.275 -1.136 1.00 0.00 C ATOM 0 H VAL A 56 3.820 11.581 -0.074 1.00 0.00 H new ATOM 0 HA VAL A 56 4.595 9.094 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 56 5.954 10.746 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.000 9.609 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.802 8.460 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.030 8.620 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.270 11.693 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.263 10.799 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.538 12.073 -1.107 1.00 0.00 H new ATOM 853 N MET A 57 3.760 9.251 1.955 1.00 0.00 N ATOM 854 CA MET A 57 3.361 8.431 3.094 1.00 0.00 C ATOM 855 C MET A 57 2.462 7.295 2.615 1.00 0.00 C ATOM 856 O MET A 57 2.461 6.202 3.180 1.00 0.00 O ATOM 857 CB MET A 57 2.630 9.278 4.139 1.00 0.00 C ATOM 858 CG MET A 57 2.043 8.468 5.283 1.00 0.00 C ATOM 859 SD MET A 57 1.234 9.499 6.522 1.00 0.00 S ATOM 860 CE MET A 57 2.602 10.528 7.050 1.00 0.00 C ATOM 0 H MET A 57 3.656 10.256 2.095 1.00 0.00 H new ATOM 0 HA MET A 57 4.255 8.013 3.558 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.323 10.014 4.546 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.829 9.831 3.649 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.323 7.753 4.885 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.836 7.891 5.758 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.371 10.972 8.018 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.503 9.920 7.135 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.766 11.319 6.318 1.00 0.00 H new ATOM 870 N GLY A 58 1.714 7.566 1.548 1.00 0.00 N ATOM 871 CA GLY A 58 0.838 6.564 0.982 1.00 0.00 C ATOM 872 C GLY A 58 1.586 5.628 0.057 1.00 0.00 C ATOM 873 O GLY A 58 1.531 4.411 0.214 1.00 0.00 O ATOM 0 H GLY A 58 1.702 8.465 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.375 5.990 1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.033 7.052 0.433 1.00 0.00 H new ATOM 877 N LEU A 59 2.307 6.204 -0.898 1.00 0.00 N ATOM 878 CA LEU A 59 3.095 5.423 -1.846 1.00 0.00 C ATOM 879 C LEU A 59 4.030 4.460 -1.109 1.00 0.00 C ATOM 880 O LEU A 59 4.480 3.461 -1.670 1.00 0.00 O ATOM 881 CB LEU A 59 3.899 6.374 -2.743 1.00 0.00 C ATOM 882 CG LEU A 59 4.737 5.719 -3.846 1.00 0.00 C ATOM 883 CD1 LEU A 59 5.957 5.016 -3.266 1.00 0.00 C ATOM 884 CD2 LEU A 59 3.889 4.744 -4.649 1.00 0.00 C ATOM 0 H LEU A 59 2.363 7.213 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 59 2.423 4.828 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.205 7.073 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.565 6.961 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 59 5.090 6.505 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.532 4.561 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.579 5.741 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.634 4.243 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.499 4.287 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.503 3.967 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.056 5.278 -5.106 1.00 0.00 H new ATOM 896 N VAL A 60 4.313 4.774 0.152 1.00 0.00 N ATOM 897 CA VAL A 60 5.194 3.958 0.976 1.00 0.00 C ATOM 898 C VAL A 60 4.431 2.869 1.726 1.00 0.00 C ATOM 899 O VAL A 60 5.035 1.933 2.240 1.00 0.00 O ATOM 900 CB VAL A 60 5.954 4.829 1.996 1.00 0.00 C ATOM 901 CG1 VAL A 60 6.793 3.965 2.924 1.00 0.00 C ATOM 902 CG2 VAL A 60 6.822 5.852 1.280 1.00 0.00 C ATOM 0 H VAL A 60 3.940 5.596 0.627 1.00 0.00 H new ATOM 0 HA VAL A 60 5.901 3.482 0.297 1.00 0.00 H new ATOM 0 HB VAL A 60 5.223 5.364 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.320 4.601 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.144 3.276 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.517 3.398 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.351 6.458 2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.544 5.337 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.193 6.495 0.664 1.00 0.00 H new ATOM 912 N ASP A 61 3.110 2.992 1.795 1.00 0.00 N ATOM 913 CA ASP A 61 2.294 2.001 2.494 1.00 0.00 C ATOM 914 C ASP A 61 2.055 0.775 1.614 1.00 0.00 C ATOM 915 O ASP A 61 1.791 -0.320 2.110 1.00 0.00 O ATOM 916 CB ASP A 61 0.960 2.616 2.911 1.00 0.00 C ATOM 917 CG ASP A 61 0.116 1.667 3.738 1.00 0.00 C ATOM 918 OD1 ASP A 61 -0.230 0.581 3.227 1.00 0.00 O ATOM 919 OD2 ASP A 61 -0.197 2.009 4.898 1.00 0.00 O ATOM 0 H ASP A 61 2.583 3.760 1.380 1.00 0.00 H new ATOM 0 HA ASP A 61 2.833 1.683 3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.146 3.525 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.404 2.909 2.020 1.00 0.00 H new ATOM 924 N ALA A 62 2.153 0.975 0.304 1.00 0.00 N ATOM 925 CA ALA A 62 1.954 -0.104 -0.668 1.00 0.00 C ATOM 926 C ALA A 62 3.241 -0.888 -0.887 1.00 0.00 C ATOM 927 O ALA A 62 3.282 -2.107 -0.725 1.00 0.00 O ATOM 928 CB ALA A 62 1.486 0.485 -1.990 1.00 0.00 C ATOM 0 H ALA A 62 2.370 1.879 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 62 1.199 -0.786 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.338 -0.317 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.546 1.016 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.238 1.178 -2.366 1.00 0.00 H new ATOM 934 N ILE A 63 4.287 -0.161 -1.254 1.00 0.00 N ATOM 935 CA ILE A 63 5.610 -0.729 -1.506 1.00 0.00 C ATOM 936 C ILE A 63 6.001 -1.844 -0.534 1.00 0.00 C ATOM 937 O ILE A 63 6.657 -2.813 -0.931 1.00 0.00 O ATOM 938 CB ILE A 63 6.679 0.382 -1.441 1.00 0.00 C ATOM 939 CG1 ILE A 63 6.802 1.056 -2.801 1.00 0.00 C ATOM 940 CG2 ILE A 63 8.032 -0.166 -0.997 1.00 0.00 C ATOM 941 CD1 ILE A 63 7.262 0.100 -3.877 1.00 0.00 C ATOM 0 H ILE A 63 4.244 0.849 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 63 5.560 -1.173 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 63 6.363 1.115 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.838 1.479 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.506 1.885 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.760 0.645 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.937 -0.610 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.367 -0.925 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.334 0.629 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.239 -0.304 -3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.545 -0.716 -3.969 1.00 0.00 H new ATOM 953 N PRO A 64 5.643 -1.731 0.748 1.00 0.00 N ATOM 954 CA PRO A 64 6.008 -2.730 1.737 1.00 0.00 C ATOM 955 C PRO A 64 5.087 -3.935 1.699 1.00 0.00 C ATOM 956 O PRO A 64 5.542 -5.071 1.576 1.00 0.00 O ATOM 957 CB PRO A 64 5.884 -1.975 3.076 1.00 0.00 C ATOM 958 CG PRO A 64 5.528 -0.564 2.712 1.00 0.00 C ATOM 959 CD PRO A 64 4.883 -0.647 1.360 1.00 0.00 C ATOM 0 HA PRO A 64 7.005 -3.137 1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.117 -2.422 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.819 -2.012 3.635 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.848 -0.130 3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.415 0.070 2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.819 -0.876 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.975 0.285 0.803 1.00 0.00 H new ATOM 967 N MET A 65 3.789 -3.685 1.794 1.00 0.00 N ATOM 968 CA MET A 65 2.818 -4.757 1.762 1.00 0.00 C ATOM 969 C MET A 65 2.877 -5.482 0.426 1.00 0.00 C ATOM 970 O MET A 65 2.581 -6.672 0.344 1.00 0.00 O ATOM 971 CB MET A 65 1.412 -4.214 1.993 1.00 0.00 C ATOM 972 CG MET A 65 0.421 -5.292 2.406 1.00 0.00 C ATOM 973 SD MET A 65 0.966 -6.238 3.842 1.00 0.00 S ATOM 974 CE MET A 65 1.107 -4.942 5.069 1.00 0.00 C ATOM 0 H MET A 65 3.390 -2.752 1.893 1.00 0.00 H new ATOM 0 HA MET A 65 3.058 -5.460 2.560 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.447 -3.445 2.765 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.059 -3.734 1.080 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.540 -4.828 2.627 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.262 -5.972 1.569 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.190 -5.387 6.060 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.994 -4.342 4.865 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.222 -4.306 5.030 1.00 0.00 H new ATOM 984 N ILE A 66 3.267 -4.757 -0.618 1.00 0.00 N ATOM 985 CA ILE A 66 3.370 -5.345 -1.946 1.00 0.00 C ATOM 986 C ILE A 66 4.600 -6.222 -2.042 1.00 0.00 C ATOM 987 O ILE A 66 4.509 -7.367 -2.464 1.00 0.00 O ATOM 988 CB ILE A 66 3.408 -4.275 -3.061 1.00 0.00 C ATOM 989 CG1 ILE A 66 3.393 -4.928 -4.444 1.00 0.00 C ATOM 990 CG2 ILE A 66 4.629 -3.390 -2.912 1.00 0.00 C ATOM 991 CD1 ILE A 66 2.107 -5.657 -4.756 1.00 0.00 C ATOM 0 H ILE A 66 3.515 -3.769 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 66 2.475 -5.949 -2.095 1.00 0.00 H new ATOM 0 HB ILE A 66 2.516 -3.656 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.558 -4.161 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.224 -5.629 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.637 -2.644 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.600 -2.889 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.530 -3.999 -2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.169 -6.094 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.949 -6.447 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.273 -4.956 -4.719 1.00 0.00 H new ATOM 1003 N ALA A 67 5.749 -5.702 -1.628 1.00 0.00 N ATOM 1004 CA ALA A 67 6.971 -6.494 -1.657 1.00 0.00 C ATOM 1005 C ALA A 67 6.797 -7.726 -0.775 1.00 0.00 C ATOM 1006 O ALA A 67 7.305 -8.808 -1.078 1.00 0.00 O ATOM 1007 CB ALA A 67 8.161 -5.664 -1.199 1.00 0.00 C ATOM 0 H ALA A 67 5.860 -4.752 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 67 7.166 -6.814 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.063 -6.275 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.282 -4.806 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.991 -5.316 -0.180 1.00 0.00 H new ATOM 1013 N VAL A 68 6.047 -7.552 0.312 1.00 0.00 N ATOM 1014 CA VAL A 68 5.777 -8.644 1.235 1.00 0.00 C ATOM 1015 C VAL A 68 4.798 -9.631 0.622 1.00 0.00 C ATOM 1016 O VAL A 68 4.983 -10.844 0.732 1.00 0.00 O ATOM 1017 CB VAL A 68 5.220 -8.133 2.579 1.00 0.00 C ATOM 1018 CG1 VAL A 68 4.952 -9.290 3.531 1.00 0.00 C ATOM 1019 CG2 VAL A 68 6.177 -7.132 3.207 1.00 0.00 C ATOM 0 H VAL A 68 5.617 -6.664 0.572 1.00 0.00 H new ATOM 0 HA VAL A 68 6.726 -9.144 1.427 1.00 0.00 H new ATOM 0 HB VAL A 68 4.273 -7.629 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.560 -8.904 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.224 -9.967 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.881 -9.829 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.767 -6.782 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.140 -7.611 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.310 -6.285 2.534 1.00 0.00 H new ATOM 1029 N GLY A 69 3.771 -9.120 -0.056 1.00 0.00 N ATOM 1030 CA GLY A 69 2.826 -10.010 -0.691 1.00 0.00 C ATOM 1031 C GLY A 69 3.487 -10.738 -1.835 1.00 0.00 C ATOM 1032 O GLY A 69 3.164 -11.884 -2.133 1.00 0.00 O ATOM 0 H GLY A 69 3.583 -8.124 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.446 -10.728 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.970 -9.443 -1.057 1.00 0.00 H new ATOM 1036 N LEU A 70 4.439 -10.057 -2.455 1.00 0.00 N ATOM 1037 CA LEU A 70 5.201 -10.602 -3.556 1.00 0.00 C ATOM 1038 C LEU A 70 6.050 -11.761 -3.064 1.00 0.00 C ATOM 1039 O LEU A 70 6.178 -12.779 -3.737 1.00 0.00 O ATOM 1040 CB LEU A 70 6.088 -9.507 -4.145 1.00 0.00 C ATOM 1041 CG LEU A 70 6.099 -9.457 -5.662 1.00 0.00 C ATOM 1042 CD1 LEU A 70 6.990 -8.329 -6.158 1.00 0.00 C ATOM 1043 CD2 LEU A 70 6.544 -10.791 -6.241 1.00 0.00 C ATOM 0 H LEU A 70 4.702 -9.104 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 70 4.525 -10.967 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.754 -8.542 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.108 -9.653 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 70 5.083 -9.261 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.983 -8.312 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.618 -7.378 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.009 -8.488 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.545 -10.733 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.549 -11.023 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.857 -11.574 -5.920 1.00 0.00 H new ATOM 1055 N GLY A 71 6.610 -11.598 -1.870 1.00 0.00 N ATOM 1056 CA GLY A 71 7.426 -12.647 -1.288 1.00 0.00 C ATOM 1057 C GLY A 71 6.599 -13.875 -0.979 1.00 0.00 C ATOM 1058 O GLY A 71 6.857 -14.961 -1.503 1.00 0.00 O ATOM 0 H GLY A 71 6.514 -10.760 -1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.230 -12.910 -1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.895 -12.282 -0.374 1.00 0.00 H new ATOM 1062 N LEU A 72 5.581 -13.696 -0.142 1.00 0.00 N ATOM 1063 CA LEU A 72 4.691 -14.793 0.215 1.00 0.00 C ATOM 1064 C LEU A 72 4.096 -15.408 -1.047 1.00 0.00 C ATOM 1065 O LEU A 72 3.902 -16.627 -1.145 1.00 0.00 O ATOM 1066 CB LEU A 72 3.575 -14.293 1.140 1.00 0.00 C ATOM 1067 CG LEU A 72 4.047 -13.752 2.490 1.00 0.00 C ATOM 1068 CD1 LEU A 72 2.861 -13.291 3.324 1.00 0.00 C ATOM 1069 CD2 LEU A 72 4.849 -14.808 3.236 1.00 0.00 C ATOM 0 H LEU A 72 5.354 -12.805 0.299 1.00 0.00 H new ATOM 0 HA LEU A 72 5.263 -15.555 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.021 -13.508 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.877 -15.111 1.318 1.00 0.00 H new ATOM 0 HG LEU A 72 4.694 -12.893 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.216 -12.909 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.328 -12.502 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.188 -14.131 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.177 -14.406 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.226 -15.686 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.720 -15.090 2.644 1.00 0.00 H new ATOM 1081 N TYR A 73 3.828 -14.557 -2.029 1.00 0.00 N ATOM 1082 CA TYR A 73 3.277 -15.018 -3.290 1.00 0.00 C ATOM 1083 C TYR A 73 4.311 -15.872 -4.010 1.00 0.00 C ATOM 1084 O TYR A 73 3.983 -16.904 -4.599 1.00 0.00 O ATOM 1085 CB TYR A 73 2.838 -13.835 -4.151 1.00 0.00 C ATOM 1086 CG TYR A 73 2.059 -14.236 -5.380 1.00 0.00 C ATOM 1087 CD1 TYR A 73 2.695 -14.795 -6.481 1.00 0.00 C ATOM 1088 CD2 TYR A 73 0.681 -14.059 -5.434 1.00 0.00 C ATOM 1089 CE1 TYR A 73 1.982 -15.163 -7.605 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -0.039 -14.426 -6.556 1.00 0.00 C ATOM 1091 CZ TYR A 73 0.616 -14.975 -7.638 1.00 0.00 C ATOM 1092 OH TYR A 73 -0.098 -15.341 -8.756 1.00 0.00 O ATOM 0 H TYR A 73 3.983 -13.550 -1.975 1.00 0.00 H new ATOM 0 HA TYR A 73 2.393 -15.626 -3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.227 -13.164 -3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.720 -13.273 -4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.764 -14.944 -6.458 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.166 -13.629 -4.588 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.491 -15.596 -8.453 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.109 -14.283 -6.585 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.014 -15.576 -8.497 1.00 0.00 H new ATOM 1102 N VAL A 74 5.576 -15.462 -3.918 1.00 0.00 N ATOM 1103 CA VAL A 74 6.659 -16.225 -4.521 1.00 0.00 C ATOM 1104 C VAL A 74 6.661 -17.621 -3.921 1.00 0.00 C ATOM 1105 O VAL A 74 6.901 -18.611 -4.614 1.00 0.00 O ATOM 1106 CB VAL A 74 8.036 -15.565 -4.296 1.00 0.00 C ATOM 1107 CG1 VAL A 74 9.152 -16.440 -4.850 1.00 0.00 C ATOM 1108 CG2 VAL A 74 8.079 -14.181 -4.930 1.00 0.00 C ATOM 0 H VAL A 74 5.870 -14.613 -3.435 1.00 0.00 H new ATOM 0 HA VAL A 74 6.491 -16.262 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 74 8.188 -15.457 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.113 -15.955 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.140 -17.407 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.003 -16.586 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.058 -13.733 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.900 -14.266 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.310 -13.552 -4.483 1.00 0.00 H new ATOM 1118 N MET A 75 6.349 -17.692 -2.626 1.00 0.00 N ATOM 1119 CA MET A 75 6.273 -18.970 -1.938 1.00 0.00 C ATOM 1120 C MET A 75 5.216 -19.824 -2.620 1.00 0.00 C ATOM 1121 O MET A 75 5.441 -20.995 -2.919 1.00 0.00 O ATOM 1122 CB MET A 75 5.936 -18.779 -0.459 1.00 0.00 C ATOM 1123 CG MET A 75 5.947 -20.073 0.339 1.00 0.00 C ATOM 1124 SD MET A 75 5.589 -19.815 2.088 1.00 0.00 S ATOM 1125 CE MET A 75 6.926 -18.718 2.550 1.00 0.00 C ATOM 0 H MET A 75 6.147 -16.882 -2.040 1.00 0.00 H new ATOM 0 HA MET A 75 7.242 -19.467 -1.989 1.00 0.00 H new ATOM 0 HB2 MET A 75 6.651 -18.084 -0.019 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.951 -18.319 -0.376 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.212 -20.760 -0.081 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.922 -20.549 0.238 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.098 -18.786 3.624 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.833 -19.006 2.018 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.662 -17.693 2.289 1.00 0.00 H new ATOM 1135 N PHE A 76 4.069 -19.210 -2.902 1.00 0.00 N ATOM 1136 CA PHE A 76 2.991 -19.907 -3.595 1.00 0.00 C ATOM 1137 C PHE A 76 3.468 -20.390 -4.965 1.00 0.00 C ATOM 1138 O PHE A 76 2.993 -21.404 -5.478 1.00 0.00 O ATOM 1139 CB PHE A 76 1.765 -18.996 -3.757 1.00 0.00 C ATOM 1140 CG PHE A 76 0.852 -19.415 -4.880 1.00 0.00 C ATOM 1141 CD1 PHE A 76 1.158 -19.085 -6.191 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -0.293 -20.155 -4.629 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.340 -19.481 -7.231 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.116 -20.553 -5.668 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.798 -20.215 -6.968 1.00 0.00 C ATOM 0 H PHE A 76 3.864 -18.240 -2.663 1.00 0.00 H new ATOM 0 HA PHE A 76 2.702 -20.769 -2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.201 -18.989 -2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.102 -17.975 -3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.048 -18.511 -6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.545 -20.423 -3.614 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.591 -19.217 -8.248 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.007 -21.128 -5.462 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.440 -20.525 -7.779 1.00 0.00 H new ATOM 1155 N ALA A 77 4.396 -19.644 -5.560 1.00 0.00 N ATOM 1156 CA ALA A 77 4.920 -19.984 -6.881 1.00 0.00 C ATOM 1157 C ALA A 77 6.103 -20.951 -6.810 1.00 0.00 C ATOM 1158 O ALA A 77 6.723 -21.251 -7.831 1.00 0.00 O ATOM 1159 CB ALA A 77 5.324 -18.720 -7.623 1.00 0.00 C ATOM 0 H ALA A 77 4.800 -18.802 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 77 4.122 -20.491 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.713 -18.984 -8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.455 -18.072 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.094 -18.196 -7.057 1.00 0.00 H new ATOM 1165 N VAL A 78 6.418 -21.440 -5.614 1.00 0.00 N ATOM 1166 CA VAL A 78 7.531 -22.370 -5.451 1.00 0.00 C ATOM 1167 C VAL A 78 7.152 -23.547 -4.555 1.00 0.00 C ATOM 1168 O VAL A 78 7.431 -24.701 -4.882 1.00 0.00 O ATOM 1169 CB VAL A 78 8.771 -21.668 -4.864 1.00 0.00 C ATOM 1170 CG1 VAL A 78 9.273 -20.590 -5.814 1.00 0.00 C ATOM 1171 CG2 VAL A 78 8.456 -21.077 -3.500 1.00 0.00 C ATOM 0 H VAL A 78 5.924 -21.211 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 78 7.771 -22.744 -6.446 1.00 0.00 H new ATOM 0 HB VAL A 78 9.560 -22.410 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.149 -20.105 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.541 -21.043 -6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.489 -19.850 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.344 -20.586 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.651 -20.349 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.147 -21.872 -2.822 1.00 0.00 H new