USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 825 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 18 CYS SG : rot 146:sc= 0.173 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0.17 USER MOD Set 1.3: A 121 CYS SG : rot 180:sc= 0 USER MOD Set 1.4: A 125 THR OG1 : rot 86:sc= -1.46! USER MOD Single : A 10 TYR OH : rot 165:sc= -0.363 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.25) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -113:sc= 0.783 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0.994 (180deg=0.955) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -172:sc= 0 (180deg=-0.0404) USER MOD Single : A 77 THR OG1 : rot 80:sc= 0.00408 USER MOD Single : A 78 MET CE :methyl -149:sc= -0.21 (180deg=-1.64!) USER MOD Single : A 82 THR OG1 : rot 67:sc= 0.58 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 4:sc= 0.806 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 174:sc= -0.709 (180deg=-0.822) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 10.638 4.907 -9.091 1.00 71.33 N ATOM 56 CA GLU A 6 11.224 4.832 -10.424 1.00 41.34 C ATOM 57 C GLU A 6 10.473 5.734 -11.400 1.00 4.10 C ATOM 58 O GLU A 6 11.042 6.637 -12.013 1.00 44.33 O ATOM 59 CB GLU A 6 11.209 3.389 -10.932 1.00 44.13 C ATOM 60 CG GLU A 6 11.043 3.276 -12.438 1.00 70.54 C ATOM 61 CD GLU A 6 11.372 1.890 -12.959 1.00 23.11 C ATOM 62 OE1 GLU A 6 12.506 1.423 -12.724 1.00 25.30 O ATOM 63 OE2 GLU A 6 10.497 1.273 -13.601 1.00 12.11 O ATOM 0 HA GLU A 6 12.256 5.176 -10.359 1.00 41.34 H new ATOM 0 HB2 GLU A 6 12.138 2.900 -10.640 1.00 44.13 H new ATOM 0 HB3 GLU A 6 10.398 2.849 -10.444 1.00 44.13 H new ATOM 0 HG2 GLU A 6 10.017 3.527 -12.706 1.00 70.54 H new ATOM 0 HG3 GLU A 6 11.688 4.006 -12.927 1.00 70.54 H new ATOM 70 N PRO A 7 9.164 5.484 -11.548 1.00 51.13 N ATOM 71 CA PRO A 7 8.306 6.262 -12.448 1.00 24.24 C ATOM 72 C PRO A 7 8.078 7.683 -11.945 1.00 41.45 C ATOM 73 O PRO A 7 7.870 8.606 -12.735 1.00 32.31 O ATOM 74 CB PRO A 7 6.992 5.478 -12.450 1.00 33.10 C ATOM 75 CG PRO A 7 6.983 4.749 -11.151 1.00 31.12 C ATOM 76 CD PRO A 7 8.420 4.423 -10.849 1.00 14.31 C ATOM 0 HA PRO A 7 8.750 6.378 -13.437 1.00 24.24 H new ATOM 0 HB2 PRO A 7 6.134 6.144 -12.536 1.00 33.10 H new ATOM 0 HB3 PRO A 7 6.945 4.787 -13.292 1.00 33.10 H new ATOM 0 HG2 PRO A 7 6.548 5.363 -10.362 1.00 31.12 H new ATOM 0 HG3 PRO A 7 6.383 3.842 -11.217 1.00 31.12 H new ATOM 0 HD2 PRO A 7 8.618 4.433 -9.777 1.00 14.31 H new ATOM 0 HD3 PRO A 7 8.693 3.433 -11.214 1.00 14.31 H new ATOM 84 N LEU A 8 8.119 7.854 -10.629 1.00 11.42 N ATOM 85 CA LEU A 8 7.917 9.165 -10.021 1.00 11.02 C ATOM 86 C LEU A 8 9.044 10.121 -10.400 1.00 30.55 C ATOM 87 O LEU A 8 8.919 11.336 -10.247 1.00 62.13 O ATOM 88 CB LEU A 8 7.832 9.036 -8.499 1.00 24.40 C ATOM 89 CG LEU A 8 6.740 9.859 -7.815 1.00 23.31 C ATOM 90 CD1 LEU A 8 5.589 8.964 -7.383 1.00 23.34 C ATOM 91 CD2 LEU A 8 7.309 10.613 -6.622 1.00 22.21 C ATOM 0 H LEU A 8 8.290 7.102 -9.962 1.00 11.42 H new ATOM 0 HA LEU A 8 6.979 9.572 -10.398 1.00 11.02 H new ATOM 0 HB2 LEU A 8 7.676 7.986 -8.252 1.00 24.40 H new ATOM 0 HB3 LEU A 8 8.794 9.324 -8.076 1.00 24.40 H new ATOM 0 HG LEU A 8 6.358 10.587 -8.531 1.00 23.31 H new ATOM 0 HD11 LEU A 8 4.821 9.567 -6.898 1.00 23.34 H new ATOM 0 HD12 LEU A 8 5.164 8.470 -8.257 1.00 23.34 H new ATOM 0 HD13 LEU A 8 5.955 8.212 -6.684 1.00 23.34 H new ATOM 0 HD21 LEU A 8 6.518 11.193 -6.147 1.00 22.21 H new ATOM 0 HD22 LEU A 8 7.718 9.902 -5.904 1.00 22.21 H new ATOM 0 HD23 LEU A 8 8.099 11.284 -6.959 1.00 22.21 H new ATOM 103 N PHE A 9 10.144 9.563 -10.896 1.00 14.13 N ATOM 104 CA PHE A 9 11.293 10.366 -11.298 1.00 32.41 C ATOM 105 C PHE A 9 10.916 11.332 -12.417 1.00 3.53 C ATOM 106 O PHE A 9 11.592 12.338 -12.637 1.00 31.03 O ATOM 107 CB PHE A 9 12.439 9.461 -11.755 1.00 32.42 C ATOM 108 CG PHE A 9 13.674 10.214 -12.157 1.00 41.41 C ATOM 109 CD1 PHE A 9 14.143 11.265 -11.385 1.00 54.32 C ATOM 110 CD2 PHE A 9 14.366 9.872 -13.308 1.00 5.44 C ATOM 111 CE1 PHE A 9 15.279 11.961 -11.752 1.00 62.14 C ATOM 112 CE2 PHE A 9 15.504 10.564 -13.679 1.00 72.15 C ATOM 113 CZ PHE A 9 15.960 11.610 -12.902 1.00 1.23 C ATOM 0 H PHE A 9 10.264 8.559 -11.029 1.00 14.13 H new ATOM 0 HA PHE A 9 11.619 10.947 -10.435 1.00 32.41 H new ATOM 0 HB2 PHE A 9 12.690 8.771 -10.949 1.00 32.42 H new ATOM 0 HB3 PHE A 9 12.101 8.858 -12.597 1.00 32.42 H new ATOM 0 HD1 PHE A 9 13.614 11.544 -10.485 1.00 54.32 H new ATOM 0 HD2 PHE A 9 14.013 9.056 -13.922 1.00 5.44 H new ATOM 0 HE1 PHE A 9 15.634 12.778 -11.141 1.00 62.14 H new ATOM 0 HE2 PHE A 9 16.036 10.286 -14.577 1.00 72.15 H new ATOM 0 HZ PHE A 9 16.847 12.153 -13.192 1.00 1.23 H new ATOM 123 N TYR A 10 9.834 11.020 -13.121 1.00 0.23 N ATOM 124 CA TYR A 10 9.368 11.859 -14.219 1.00 24.30 C ATOM 125 C TYR A 10 8.618 13.079 -13.693 1.00 23.42 C ATOM 126 O TYR A 10 9.019 14.219 -13.929 1.00 0.04 O ATOM 127 CB TYR A 10 8.464 11.054 -15.154 1.00 42.55 C ATOM 128 CG TYR A 10 8.757 11.279 -16.621 1.00 11.43 C ATOM 129 CD1 TYR A 10 9.985 10.928 -17.166 1.00 62.43 C ATOM 130 CD2 TYR A 10 7.804 11.843 -17.461 1.00 22.12 C ATOM 131 CE1 TYR A 10 10.257 11.132 -18.505 1.00 50.12 C ATOM 132 CE2 TYR A 10 8.067 12.050 -18.801 1.00 72.33 C ATOM 133 CZ TYR A 10 9.295 11.693 -19.319 1.00 13.14 C ATOM 134 OH TYR A 10 9.561 11.897 -20.653 1.00 40.11 O ATOM 0 H TYR A 10 9.263 10.192 -12.951 1.00 0.23 H new ATOM 0 HA TYR A 10 10.240 12.204 -14.775 1.00 24.30 H new ATOM 0 HB2 TYR A 10 8.574 9.993 -14.928 1.00 42.55 H new ATOM 0 HB3 TYR A 10 7.425 11.316 -14.955 1.00 42.55 H new ATOM 0 HD1 TYR A 10 10.741 10.488 -16.532 1.00 62.43 H new ATOM 0 HD2 TYR A 10 6.842 12.124 -17.059 1.00 22.12 H new ATOM 0 HE1 TYR A 10 11.218 10.854 -18.912 1.00 50.12 H new ATOM 0 HE2 TYR A 10 7.315 12.489 -19.440 1.00 72.33 H new ATOM 0 HH TYR A 10 8.723 12.069 -21.131 1.00 40.11 H new ATOM 144 N THR A 11 7.526 12.830 -12.977 1.00 51.20 N ATOM 145 CA THR A 11 6.718 13.906 -12.417 1.00 50.20 C ATOM 146 C THR A 11 7.570 14.857 -11.584 1.00 50.34 C ATOM 147 O THR A 11 7.393 16.075 -11.641 1.00 21.42 O ATOM 148 CB THR A 11 5.578 13.355 -11.540 1.00 21.31 C ATOM 149 OG1 THR A 11 4.885 14.433 -10.902 1.00 5.33 O ATOM 150 CG2 THR A 11 6.119 12.399 -10.487 1.00 42.21 C ATOM 0 H THR A 11 7.181 11.892 -12.771 1.00 51.20 H new ATOM 0 HA THR A 11 6.289 14.449 -13.259 1.00 50.20 H new ATOM 0 HB THR A 11 4.887 12.810 -12.182 1.00 21.31 H new ATOM 0 HG1 THR A 11 4.161 14.074 -10.348 1.00 5.33 H new ATOM 0 HG21 THR A 11 5.296 12.023 -9.880 1.00 42.21 H new ATOM 0 HG22 THR A 11 6.620 11.564 -10.977 1.00 42.21 H new ATOM 0 HG23 THR A 11 6.830 12.925 -9.849 1.00 42.21 H new ATOM 158 N ILE A 12 8.494 14.295 -10.813 1.00 63.12 N ATOM 159 CA ILE A 12 9.375 15.094 -9.970 1.00 52.24 C ATOM 160 C ILE A 12 10.261 16.007 -10.811 1.00 52.22 C ATOM 161 O ILE A 12 10.477 17.168 -10.466 1.00 64.04 O ATOM 162 CB ILE A 12 10.267 14.204 -9.085 1.00 45.44 C ATOM 163 CG1 ILE A 12 9.413 13.416 -8.091 1.00 11.35 C ATOM 164 CG2 ILE A 12 11.298 15.050 -8.353 1.00 2.21 C ATOM 165 CD1 ILE A 12 10.149 12.267 -7.439 1.00 24.10 C ATOM 0 H ILE A 12 8.652 13.289 -10.754 1.00 63.12 H new ATOM 0 HA ILE A 12 8.735 15.702 -9.331 1.00 52.24 H new ATOM 0 HB ILE A 12 10.794 13.495 -9.723 1.00 45.44 H new ATOM 0 HG12 ILE A 12 9.054 14.093 -7.316 1.00 11.35 H new ATOM 0 HG13 ILE A 12 8.535 13.028 -8.607 1.00 11.35 H new ATOM 0 HG21 ILE A 12 11.921 14.407 -7.731 1.00 2.21 H new ATOM 0 HG22 ILE A 12 11.923 15.570 -9.079 1.00 2.21 H new ATOM 0 HG23 ILE A 12 10.789 15.780 -7.724 1.00 2.21 H new ATOM 0 HD11 ILE A 12 9.482 11.754 -6.747 1.00 24.10 H new ATOM 0 HD12 ILE A 12 10.484 11.568 -8.205 1.00 24.10 H new ATOM 0 HD13 ILE A 12 11.012 12.650 -6.894 1.00 24.10 H new ATOM 177 N ASN A 13 10.769 15.474 -11.918 1.00 2.24 N ATOM 178 CA ASN A 13 11.631 16.242 -12.809 1.00 70.54 C ATOM 179 C ASN A 13 10.833 17.311 -13.550 1.00 23.22 C ATOM 180 O ASN A 13 11.404 18.194 -14.191 1.00 1.54 O ATOM 181 CB ASN A 13 12.316 15.313 -13.814 1.00 51.13 C ATOM 182 CG ASN A 13 13.165 16.071 -14.816 1.00 41.22 C ATOM 183 OD1 ASN A 13 14.294 16.462 -14.520 1.00 1.44 O ATOM 184 ND2 ASN A 13 12.624 16.282 -16.010 1.00 50.44 N ATOM 0 H ASN A 13 10.599 14.514 -12.219 1.00 2.24 H new ATOM 0 HA ASN A 13 12.391 16.736 -12.203 1.00 70.54 H new ATOM 0 HB2 ASN A 13 12.942 14.600 -13.277 1.00 51.13 H new ATOM 0 HB3 ASN A 13 11.559 14.736 -14.346 1.00 51.13 H new ATOM 0 HD21 ASN A 13 13.148 16.786 -16.725 1.00 50.44 H new ATOM 0 HD22 ASN A 13 11.685 15.940 -16.212 1.00 50.44 H new ATOM 191 N LEU A 14 9.511 17.225 -13.457 1.00 30.21 N ATOM 192 CA LEU A 14 8.634 18.185 -14.117 1.00 55.21 C ATOM 193 C LEU A 14 8.354 19.380 -13.211 1.00 31.21 C ATOM 194 O LEU A 14 8.093 20.485 -13.687 1.00 72.13 O ATOM 195 CB LEU A 14 7.318 17.514 -14.516 1.00 20.15 C ATOM 196 CG LEU A 14 7.098 17.306 -16.014 1.00 55.13 C ATOM 197 CD1 LEU A 14 6.094 16.189 -16.256 1.00 51.44 C ATOM 198 CD2 LEU A 14 6.629 18.598 -16.669 1.00 22.34 C ATOM 0 H LEU A 14 9.023 16.500 -12.931 1.00 30.21 H new ATOM 0 HA LEU A 14 9.139 18.543 -15.014 1.00 55.21 H new ATOM 0 HB2 LEU A 14 7.264 16.543 -14.023 1.00 20.15 H new ATOM 0 HB3 LEU A 14 6.495 18.114 -14.128 1.00 20.15 H new ATOM 0 HG LEU A 14 8.048 17.017 -16.465 1.00 55.13 H new ATOM 0 HD11 LEU A 14 5.950 16.055 -17.328 1.00 51.44 H new ATOM 0 HD12 LEU A 14 6.469 15.262 -15.822 1.00 51.44 H new ATOM 0 HD13 LEU A 14 5.142 16.448 -15.792 1.00 51.44 H new ATOM 0 HD21 LEU A 14 6.477 18.431 -17.735 1.00 22.34 H new ATOM 0 HD22 LEU A 14 5.691 18.917 -16.215 1.00 22.34 H new ATOM 0 HD23 LEU A 14 7.383 19.373 -16.526 1.00 22.34 H new ATOM 210 N ILE A 15 8.413 19.151 -11.903 1.00 74.44 N ATOM 211 CA ILE A 15 8.169 20.209 -10.931 1.00 60.21 C ATOM 212 C ILE A 15 9.397 21.098 -10.767 1.00 20.20 C ATOM 213 O ILE A 15 9.279 22.290 -10.482 1.00 50.15 O ATOM 214 CB ILE A 15 7.779 19.632 -9.557 1.00 43.22 C ATOM 215 CG1 ILE A 15 6.573 18.701 -9.694 1.00 51.02 C ATOM 216 CG2 ILE A 15 7.479 20.756 -8.577 1.00 0.21 C ATOM 217 CD1 ILE A 15 5.316 19.404 -10.157 1.00 43.24 C ATOM 0 H ILE A 15 8.628 18.242 -11.493 1.00 74.44 H new ATOM 0 HA ILE A 15 7.341 20.805 -11.314 1.00 60.21 H new ATOM 0 HB ILE A 15 8.618 19.054 -9.171 1.00 43.22 H new ATOM 0 HG12 ILE A 15 6.816 17.906 -10.400 1.00 51.02 H new ATOM 0 HG13 ILE A 15 6.380 18.225 -8.732 1.00 51.02 H new ATOM 0 HG21 ILE A 15 7.205 20.333 -7.611 1.00 0.21 H new ATOM 0 HG22 ILE A 15 8.363 21.383 -8.461 1.00 0.21 H new ATOM 0 HG23 ILE A 15 6.654 21.359 -8.956 1.00 0.21 H new ATOM 0 HD11 ILE A 15 4.502 18.683 -10.232 1.00 43.24 H new ATOM 0 HD12 ILE A 15 5.048 20.180 -9.440 1.00 43.24 H new ATOM 0 HD13 ILE A 15 5.491 19.856 -11.133 1.00 43.24 H new ATOM 229 N ILE A 16 10.575 20.510 -10.950 1.00 13.32 N ATOM 230 CA ILE A 16 11.824 21.250 -10.825 1.00 24.11 C ATOM 231 C ILE A 16 11.802 22.515 -11.676 1.00 52.10 C ATOM 232 O ILE A 16 11.976 23.629 -11.182 1.00 24.05 O ATOM 233 CB ILE A 16 13.032 20.388 -11.238 1.00 42.31 C ATOM 234 CG1 ILE A 16 13.571 19.615 -10.033 1.00 1.34 C ATOM 235 CG2 ILE A 16 14.121 21.260 -11.845 1.00 65.34 C ATOM 236 CD1 ILE A 16 14.161 18.270 -10.392 1.00 63.23 C ATOM 0 H ILE A 16 10.690 19.524 -11.185 1.00 13.32 H new ATOM 0 HA ILE A 16 11.925 21.524 -9.775 1.00 24.11 H new ATOM 0 HB ILE A 16 12.707 19.669 -11.990 1.00 42.31 H new ATOM 0 HG12 ILE A 16 14.333 20.216 -9.537 1.00 1.34 H new ATOM 0 HG13 ILE A 16 12.764 19.469 -9.315 1.00 1.34 H new ATOM 0 HG21 ILE A 16 14.968 20.637 -12.132 1.00 65.34 H new ATOM 0 HG22 ILE A 16 13.730 21.770 -12.726 1.00 65.34 H new ATOM 0 HG23 ILE A 16 14.446 21.999 -11.113 1.00 65.34 H new ATOM 0 HD11 ILE A 16 14.523 17.779 -9.489 1.00 63.23 H new ATOM 0 HD12 ILE A 16 13.396 17.650 -10.860 1.00 63.23 H new ATOM 0 HD13 ILE A 16 14.990 18.410 -11.086 1.00 63.23 H new ATOM 248 N PRO A 17 11.580 22.342 -12.987 1.00 51.05 N ATOM 249 CA PRO A 17 11.527 23.459 -13.935 1.00 75.14 C ATOM 250 C PRO A 17 10.288 24.326 -13.740 1.00 54.14 C ATOM 251 O PRO A 17 10.349 25.550 -13.867 1.00 33.31 O ATOM 252 CB PRO A 17 11.484 22.765 -15.299 1.00 62.11 C ATOM 253 CG PRO A 17 10.897 21.424 -15.024 1.00 20.24 C ATOM 254 CD PRO A 17 11.363 21.043 -13.646 1.00 23.33 C ATOM 0 HA PRO A 17 12.371 24.138 -13.813 1.00 75.14 H new ATOM 0 HB2 PRO A 17 10.876 23.325 -16.009 1.00 62.11 H new ATOM 0 HB3 PRO A 17 12.481 22.680 -15.731 1.00 62.11 H new ATOM 0 HG2 PRO A 17 9.809 21.457 -15.073 1.00 20.24 H new ATOM 0 HG3 PRO A 17 11.227 20.694 -15.763 1.00 20.24 H new ATOM 0 HD2 PRO A 17 10.618 20.446 -13.121 1.00 23.33 H new ATOM 0 HD3 PRO A 17 12.278 20.452 -13.681 1.00 23.33 H new ATOM 262 N CYS A 18 9.166 23.686 -13.432 1.00 34.34 N ATOM 263 CA CYS A 18 7.911 24.399 -13.219 1.00 44.53 C ATOM 264 C CYS A 18 8.088 25.517 -12.197 1.00 3.23 C ATOM 265 O CYS A 18 7.684 26.656 -12.430 1.00 42.43 O ATOM 266 CB CYS A 18 6.823 23.432 -12.752 1.00 52.13 C ATOM 267 SG CYS A 18 5.525 24.205 -11.758 1.00 41.24 S ATOM 0 H CYS A 18 9.099 22.674 -13.324 1.00 34.34 H new ATOM 0 HA CYS A 18 7.609 24.843 -14.168 1.00 44.53 H new ATOM 0 HB2 CYS A 18 6.367 22.965 -13.625 1.00 52.13 H new ATOM 0 HB3 CYS A 18 7.286 22.635 -12.170 1.00 52.13 H new ATOM 0 HG CYS A 18 4.387 23.626 -12.004 1.00 41.24 H new ATOM 273 N VAL A 19 8.694 25.183 -11.061 1.00 53.24 N ATOM 274 CA VAL A 19 8.924 26.158 -10.002 1.00 53.31 C ATOM 275 C VAL A 19 9.928 27.219 -10.440 1.00 34.21 C ATOM 276 O VAL A 19 9.727 28.412 -10.209 1.00 4.10 O ATOM 277 CB VAL A 19 9.436 25.481 -8.717 1.00 65.14 C ATOM 278 CG1 VAL A 19 9.611 26.505 -7.607 1.00 3.34 C ATOM 279 CG2 VAL A 19 8.489 24.371 -8.286 1.00 44.32 C ATOM 0 H VAL A 19 9.034 24.245 -10.851 1.00 53.24 H new ATOM 0 HA VAL A 19 7.965 26.633 -9.796 1.00 53.31 H new ATOM 0 HB VAL A 19 10.409 25.036 -8.924 1.00 65.14 H new ATOM 0 HG11 VAL A 19 9.973 26.008 -6.707 1.00 3.34 H new ATOM 0 HG12 VAL A 19 10.332 27.261 -7.919 1.00 3.34 H new ATOM 0 HG13 VAL A 19 8.653 26.982 -7.398 1.00 3.34 H new ATOM 0 HG21 VAL A 19 8.866 23.904 -7.376 1.00 44.32 H new ATOM 0 HG22 VAL A 19 7.501 24.789 -8.096 1.00 44.32 H new ATOM 0 HG23 VAL A 19 8.421 23.624 -9.077 1.00 44.32 H new ATOM 289 N LEU A 20 11.008 26.777 -11.073 1.00 62.45 N ATOM 290 CA LEU A 20 12.045 27.688 -11.545 1.00 61.01 C ATOM 291 C LEU A 20 11.463 28.732 -12.492 1.00 53.04 C ATOM 292 O LEU A 20 11.817 29.909 -12.428 1.00 5.42 O ATOM 293 CB LEU A 20 13.156 26.907 -12.249 1.00 42.23 C ATOM 294 CG LEU A 20 14.436 26.686 -11.442 1.00 60.33 C ATOM 295 CD1 LEU A 20 15.050 28.017 -11.039 1.00 14.45 C ATOM 296 CD2 LEU A 20 14.151 25.833 -10.214 1.00 45.23 C ATOM 0 H LEU A 20 11.189 25.793 -11.272 1.00 62.45 H new ATOM 0 HA LEU A 20 12.463 28.202 -10.680 1.00 61.01 H new ATOM 0 HB2 LEU A 20 12.761 25.934 -12.539 1.00 42.23 H new ATOM 0 HB3 LEU A 20 13.416 27.432 -13.168 1.00 42.23 H new ATOM 0 HG LEU A 20 15.152 26.156 -12.070 1.00 60.33 H new ATOM 0 HD11 LEU A 20 15.960 27.839 -10.466 1.00 14.45 H new ATOM 0 HD12 LEU A 20 15.291 28.592 -11.933 1.00 14.45 H new ATOM 0 HD13 LEU A 20 14.340 28.575 -10.429 1.00 14.45 H new ATOM 0 HD21 LEU A 20 15.073 25.686 -9.651 1.00 45.23 H new ATOM 0 HD22 LEU A 20 13.418 26.336 -9.584 1.00 45.23 H new ATOM 0 HD23 LEU A 20 13.758 24.865 -10.526 1.00 45.23 H new ATOM 308 N ILE A 21 10.566 28.293 -13.369 1.00 42.03 N ATOM 309 CA ILE A 21 9.932 29.190 -14.327 1.00 44.43 C ATOM 310 C ILE A 21 9.216 30.335 -13.618 1.00 30.50 C ATOM 311 O ILE A 21 9.359 31.499 -13.992 1.00 41.11 O ATOM 312 CB ILE A 21 8.923 28.441 -15.218 1.00 4.52 C ATOM 313 CG1 ILE A 21 9.658 27.634 -16.290 1.00 33.41 C ATOM 314 CG2 ILE A 21 7.952 29.422 -15.858 1.00 43.02 C ATOM 315 CD1 ILE A 21 8.923 26.380 -16.711 1.00 52.31 C ATOM 0 H ILE A 21 10.262 27.322 -13.436 1.00 42.03 H new ATOM 0 HA ILE A 21 10.727 29.595 -14.954 1.00 44.43 H new ATOM 0 HB ILE A 21 8.354 27.750 -14.596 1.00 4.52 H new ATOM 0 HG12 ILE A 21 9.815 28.265 -17.165 1.00 33.41 H new ATOM 0 HG13 ILE A 21 10.644 27.359 -15.915 1.00 33.41 H new ATOM 0 HG21 ILE A 21 7.245 28.878 -16.485 1.00 43.02 H new ATOM 0 HG22 ILE A 21 7.409 29.957 -15.079 1.00 43.02 H new ATOM 0 HG23 ILE A 21 8.505 30.135 -16.470 1.00 43.02 H new ATOM 0 HD11 ILE A 21 9.501 25.858 -17.473 1.00 52.31 H new ATOM 0 HD12 ILE A 21 8.790 25.729 -15.847 1.00 52.31 H new ATOM 0 HD13 ILE A 21 7.948 26.649 -17.117 1.00 52.31 H new ATOM 327 N THR A 22 8.445 29.996 -12.589 1.00 73.45 N ATOM 328 CA THR A 22 7.706 30.994 -11.826 1.00 62.24 C ATOM 329 C THR A 22 8.653 31.954 -11.116 1.00 1.01 C ATOM 330 O THR A 22 8.536 33.172 -11.253 1.00 61.33 O ATOM 331 CB THR A 22 6.784 30.334 -10.784 1.00 0.55 C ATOM 332 OG1 THR A 22 5.952 29.354 -11.415 1.00 5.42 O ATOM 333 CG2 THR A 22 5.915 31.376 -10.094 1.00 63.21 C ATOM 0 H THR A 22 8.316 29.037 -12.265 1.00 73.45 H new ATOM 0 HA THR A 22 7.097 31.550 -12.538 1.00 62.24 H new ATOM 0 HB THR A 22 7.409 29.850 -10.034 1.00 0.55 H new ATOM 0 HG1 THR A 22 5.370 28.938 -10.745 1.00 5.42 H new ATOM 0 HG21 THR A 22 5.272 30.887 -9.362 1.00 63.21 H new ATOM 0 HG22 THR A 22 6.551 32.104 -9.589 1.00 63.21 H new ATOM 0 HG23 THR A 22 5.299 31.885 -10.835 1.00 63.21 H new ATOM 341 N SER A 23 9.592 31.398 -10.356 1.00 51.44 N ATOM 342 CA SER A 23 10.558 32.207 -9.621 1.00 72.53 C ATOM 343 C SER A 23 11.265 33.188 -10.551 1.00 73.24 C ATOM 344 O SER A 23 11.569 34.317 -10.166 1.00 1.50 O ATOM 345 CB SER A 23 11.587 31.308 -8.932 1.00 53.12 C ATOM 346 OG SER A 23 12.826 31.332 -9.619 1.00 72.43 O ATOM 0 H SER A 23 9.704 30.392 -10.233 1.00 51.44 H new ATOM 0 HA SER A 23 10.018 32.776 -8.864 1.00 72.53 H new ATOM 0 HB2 SER A 23 11.732 31.638 -7.903 1.00 53.12 H new ATOM 0 HB3 SER A 23 11.211 30.286 -8.889 1.00 53.12 H new ATOM 0 HG SER A 23 13.467 30.751 -9.158 1.00 72.43 H new ATOM 352 N LEU A 24 11.523 32.749 -11.778 1.00 62.42 N ATOM 353 CA LEU A 24 12.194 33.587 -12.765 1.00 44.14 C ATOM 354 C LEU A 24 11.369 34.832 -13.074 1.00 1.22 C ATOM 355 O LEU A 24 11.902 35.938 -13.153 1.00 43.43 O ATOM 356 CB LEU A 24 12.444 32.796 -14.050 1.00 62.34 C ATOM 357 CG LEU A 24 13.880 32.805 -14.576 1.00 21.31 C ATOM 358 CD1 LEU A 24 14.056 31.760 -15.667 1.00 32.22 C ATOM 359 CD2 LEU A 24 14.250 34.187 -15.094 1.00 74.12 C ATOM 0 H LEU A 24 11.278 31.817 -12.113 1.00 62.42 H new ATOM 0 HA LEU A 24 13.150 33.902 -12.347 1.00 44.14 H new ATOM 0 HB2 LEU A 24 12.148 31.761 -13.879 1.00 62.34 H new ATOM 0 HB3 LEU A 24 11.791 33.190 -14.828 1.00 62.34 H new ATOM 0 HG LEU A 24 14.549 32.557 -13.752 1.00 21.31 H new ATOM 0 HD11 LEU A 24 15.084 31.781 -16.029 1.00 32.22 H new ATOM 0 HD12 LEU A 24 13.834 30.772 -15.264 1.00 32.22 H new ATOM 0 HD13 LEU A 24 13.377 31.977 -16.491 1.00 32.22 H new ATOM 0 HD21 LEU A 24 15.275 34.174 -15.464 1.00 74.12 H new ATOM 0 HD22 LEU A 24 13.575 34.465 -15.904 1.00 74.12 H new ATOM 0 HD23 LEU A 24 14.165 34.913 -14.286 1.00 74.12 H new ATOM 371 N ALA A 25 10.065 34.644 -13.244 1.00 74.24 N ATOM 372 CA ALA A 25 9.165 35.752 -13.540 1.00 31.04 C ATOM 373 C ALA A 25 9.040 36.691 -12.345 1.00 4.32 C ATOM 374 O ALA A 25 8.872 37.900 -12.509 1.00 34.03 O ATOM 375 CB ALA A 25 7.796 35.227 -13.945 1.00 71.43 C ATOM 0 H ALA A 25 9.608 33.734 -13.182 1.00 74.24 H new ATOM 0 HA ALA A 25 9.586 36.317 -14.372 1.00 31.04 H new ATOM 0 HB1 ALA A 25 7.135 36.066 -14.163 1.00 71.43 H new ATOM 0 HB2 ALA A 25 7.894 34.602 -14.833 1.00 71.43 H new ATOM 0 HB3 ALA A 25 7.377 34.637 -13.130 1.00 71.43 H new ATOM 381 N ILE A 26 9.124 36.128 -11.144 1.00 41.13 N ATOM 382 CA ILE A 26 9.021 36.916 -9.922 1.00 40.35 C ATOM 383 C ILE A 26 10.280 37.747 -9.696 1.00 71.41 C ATOM 384 O ILE A 26 10.207 38.907 -9.291 1.00 12.43 O ATOM 385 CB ILE A 26 8.783 36.020 -8.693 1.00 13.22 C ATOM 386 CG1 ILE A 26 7.458 35.267 -8.832 1.00 40.33 C ATOM 387 CG2 ILE A 26 8.793 36.854 -7.420 1.00 61.41 C ATOM 388 CD1 ILE A 26 7.356 34.053 -7.937 1.00 22.53 C ATOM 0 H ILE A 26 9.263 35.129 -10.991 1.00 41.13 H new ATOM 0 HA ILE A 26 8.167 37.582 -10.047 1.00 40.35 H new ATOM 0 HB ILE A 26 9.590 35.290 -8.633 1.00 13.22 H new ATOM 0 HG12 ILE A 26 6.637 35.947 -8.603 1.00 40.33 H new ATOM 0 HG13 ILE A 26 7.334 34.955 -9.869 1.00 40.33 H new ATOM 0 HG21 ILE A 26 8.623 36.207 -6.560 1.00 61.41 H new ATOM 0 HG22 ILE A 26 9.759 37.349 -7.317 1.00 61.41 H new ATOM 0 HG23 ILE A 26 8.004 37.604 -7.470 1.00 61.41 H new ATOM 0 HD11 ILE A 26 6.391 33.569 -8.089 1.00 22.53 H new ATOM 0 HD12 ILE A 26 8.155 33.353 -8.181 1.00 22.53 H new ATOM 0 HD13 ILE A 26 7.448 34.360 -6.895 1.00 22.53 H new ATOM 400 N LEU A 27 11.434 37.145 -9.962 1.00 42.33 N ATOM 401 CA LEU A 27 12.711 37.830 -9.790 1.00 31.43 C ATOM 402 C LEU A 27 12.848 38.984 -10.777 1.00 14.54 C ATOM 403 O LEU A 27 13.324 40.064 -10.424 1.00 31.52 O ATOM 404 CB LEU A 27 13.868 36.846 -9.974 1.00 40.34 C ATOM 405 CG LEU A 27 14.571 36.390 -8.696 1.00 24.32 C ATOM 406 CD1 LEU A 27 15.217 37.572 -7.990 1.00 52.21 C ATOM 407 CD2 LEU A 27 13.591 35.684 -7.770 1.00 53.43 C ATOM 0 H LEU A 27 11.512 36.185 -10.297 1.00 42.33 H new ATOM 0 HA LEU A 27 12.744 38.236 -8.779 1.00 31.43 H new ATOM 0 HB2 LEU A 27 13.490 35.964 -10.491 1.00 40.34 H new ATOM 0 HB3 LEU A 27 14.609 37.306 -10.628 1.00 40.34 H new ATOM 0 HG LEU A 27 15.355 35.684 -8.969 1.00 24.32 H new ATOM 0 HD11 LEU A 27 15.712 37.227 -7.082 1.00 52.21 H new ATOM 0 HD12 LEU A 27 15.951 38.034 -8.651 1.00 52.21 H new ATOM 0 HD13 LEU A 27 14.452 38.303 -7.730 1.00 52.21 H new ATOM 0 HD21 LEU A 27 14.110 35.366 -6.865 1.00 53.43 H new ATOM 0 HD22 LEU A 27 12.784 36.367 -7.505 1.00 53.43 H new ATOM 0 HD23 LEU A 27 13.176 34.812 -8.276 1.00 53.43 H new ATOM 419 N VAL A 28 12.425 38.751 -12.015 1.00 55.10 N ATOM 420 CA VAL A 28 12.496 39.773 -13.053 1.00 24.22 C ATOM 421 C VAL A 28 11.752 41.036 -12.633 1.00 64.52 C ATOM 422 O VAL A 28 12.315 42.131 -12.636 1.00 62.43 O ATOM 423 CB VAL A 28 11.911 39.263 -14.383 1.00 41.43 C ATOM 424 CG1 VAL A 28 11.479 40.430 -15.258 1.00 52.31 C ATOM 425 CG2 VAL A 28 12.922 38.388 -15.109 1.00 13.10 C ATOM 0 H VAL A 28 12.029 37.863 -12.324 1.00 55.10 H new ATOM 0 HA VAL A 28 13.551 40.007 -13.195 1.00 24.22 H new ATOM 0 HB VAL A 28 11.031 38.658 -14.165 1.00 41.43 H new ATOM 0 HG11 VAL A 28 11.068 40.051 -16.194 1.00 52.31 H new ATOM 0 HG12 VAL A 28 10.719 41.013 -14.738 1.00 52.31 H new ATOM 0 HG13 VAL A 28 12.340 41.064 -15.470 1.00 52.31 H new ATOM 0 HG21 VAL A 28 12.492 38.036 -16.047 1.00 13.10 H new ATOM 0 HG22 VAL A 28 13.822 38.967 -15.317 1.00 13.10 H new ATOM 0 HG23 VAL A 28 13.178 37.533 -14.484 1.00 13.10 H new ATOM 435 N PHE A 29 10.484 40.876 -12.272 1.00 33.42 N ATOM 436 CA PHE A 29 9.661 42.003 -11.849 1.00 41.35 C ATOM 437 C PHE A 29 10.294 42.724 -10.663 1.00 2.01 C ATOM 438 O PHE A 29 10.101 43.926 -10.477 1.00 74.32 O ATOM 439 CB PHE A 29 8.255 41.526 -11.480 1.00 1.13 C ATOM 440 CG PHE A 29 7.223 41.832 -12.527 1.00 44.25 C ATOM 441 CD1 PHE A 29 6.925 43.143 -12.863 1.00 44.10 C ATOM 442 CD2 PHE A 29 6.552 40.809 -13.177 1.00 52.11 C ATOM 443 CE1 PHE A 29 5.976 43.427 -13.826 1.00 51.42 C ATOM 444 CE2 PHE A 29 5.601 41.087 -14.142 1.00 5.35 C ATOM 445 CZ PHE A 29 5.314 42.398 -14.467 1.00 50.31 C ATOM 0 H PHE A 29 10.003 39.976 -12.264 1.00 33.42 H new ATOM 0 HA PHE A 29 9.592 42.703 -12.682 1.00 41.35 H new ATOM 0 HB2 PHE A 29 8.279 40.450 -11.309 1.00 1.13 H new ATOM 0 HB3 PHE A 29 7.957 41.992 -10.541 1.00 1.13 H new ATOM 0 HD1 PHE A 29 7.440 43.952 -12.366 1.00 44.10 H new ATOM 0 HD2 PHE A 29 6.774 39.782 -12.927 1.00 52.11 H new ATOM 0 HE1 PHE A 29 5.752 44.453 -14.078 1.00 51.42 H new ATOM 0 HE2 PHE A 29 5.084 40.280 -14.640 1.00 5.35 H new ATOM 0 HZ PHE A 29 4.573 42.618 -15.221 1.00 50.31 H new ATOM 455 N TYR A 30 11.051 41.981 -9.863 1.00 13.34 N ATOM 456 CA TYR A 30 11.710 42.548 -8.692 1.00 22.51 C ATOM 457 C TYR A 30 13.000 43.262 -9.085 1.00 72.42 C ATOM 458 O TYR A 30 13.461 44.166 -8.387 1.00 72.31 O ATOM 459 CB TYR A 30 12.013 41.450 -7.670 1.00 51.04 C ATOM 460 CG TYR A 30 11.237 41.593 -6.380 1.00 63.03 C ATOM 461 CD1 TYR A 30 9.848 41.560 -6.375 1.00 2.31 C ATOM 462 CD2 TYR A 30 11.893 41.762 -5.167 1.00 62.32 C ATOM 463 CE1 TYR A 30 9.135 41.691 -5.199 1.00 2.22 C ATOM 464 CE2 TYR A 30 11.189 41.892 -3.986 1.00 74.13 C ATOM 465 CZ TYR A 30 9.810 41.856 -4.007 1.00 51.22 C ATOM 466 OH TYR A 30 9.104 41.987 -2.833 1.00 43.00 O ATOM 0 H TYR A 30 11.223 40.986 -10.004 1.00 13.34 H new ATOM 0 HA TYR A 30 11.035 43.277 -8.244 1.00 22.51 H new ATOM 0 HB2 TYR A 30 11.788 40.480 -8.114 1.00 51.04 H new ATOM 0 HB3 TYR A 30 13.080 41.458 -7.446 1.00 51.04 H new ATOM 0 HD1 TYR A 30 9.317 41.430 -7.306 1.00 2.31 H new ATOM 0 HD2 TYR A 30 12.972 41.792 -5.147 1.00 62.32 H new ATOM 0 HE1 TYR A 30 8.055 41.664 -5.213 1.00 2.22 H new ATOM 0 HE2 TYR A 30 11.715 42.021 -3.052 1.00 74.13 H new ATOM 0 HH TYR A 30 9.729 42.094 -2.086 1.00 43.00 H new ATOM 476 N LEU A 31 13.577 42.850 -10.208 1.00 63.43 N ATOM 477 CA LEU A 31 14.814 43.449 -10.697 1.00 41.22 C ATOM 478 C LEU A 31 14.612 44.063 -12.079 1.00 4.42 C ATOM 479 O LEU A 31 15.142 43.584 -13.082 1.00 2.35 O ATOM 480 CB LEU A 31 15.926 42.400 -10.750 1.00 43.42 C ATOM 481 CG LEU A 31 16.707 42.184 -9.453 1.00 60.24 C ATOM 482 CD1 LEU A 31 16.112 41.033 -8.658 1.00 34.32 C ATOM 483 CD2 LEU A 31 18.176 41.924 -9.753 1.00 3.15 C ATOM 0 H LEU A 31 13.208 42.104 -10.797 1.00 63.43 H new ATOM 0 HA LEU A 31 15.103 44.241 -10.006 1.00 41.22 H new ATOM 0 HB2 LEU A 31 15.486 41.448 -11.049 1.00 43.42 H new ATOM 0 HB3 LEU A 31 16.630 42.685 -11.532 1.00 43.42 H new ATOM 0 HG LEU A 31 16.634 43.090 -8.852 1.00 60.24 H new ATOM 0 HD11 LEU A 31 16.680 40.894 -7.738 1.00 34.32 H new ATOM 0 HD12 LEU A 31 15.074 41.259 -8.412 1.00 34.32 H new ATOM 0 HD13 LEU A 31 16.154 40.120 -9.252 1.00 34.32 H new ATOM 0 HD21 LEU A 31 18.717 41.773 -8.819 1.00 3.15 H new ATOM 0 HD22 LEU A 31 18.268 41.033 -10.374 1.00 3.15 H new ATOM 0 HD23 LEU A 31 18.597 42.780 -10.281 1.00 3.15 H new ATOM 495 N PRO A 32 13.830 45.151 -12.134 1.00 52.35 N ATOM 496 CA PRO A 32 13.543 45.856 -13.387 1.00 55.51 C ATOM 497 C PRO A 32 14.764 46.587 -13.934 1.00 60.14 C ATOM 498 O PRO A 32 14.908 47.796 -13.755 1.00 53.34 O ATOM 499 CB PRO A 32 12.455 46.857 -12.989 1.00 53.33 C ATOM 500 CG PRO A 32 12.661 47.082 -11.531 1.00 63.51 C ATOM 501 CD PRO A 32 13.165 45.777 -10.979 1.00 24.02 C ATOM 0 HA PRO A 32 13.243 45.171 -14.180 1.00 55.51 H new ATOM 0 HB2 PRO A 32 12.548 47.787 -13.550 1.00 53.33 H new ATOM 0 HB3 PRO A 32 11.460 46.461 -13.192 1.00 53.33 H new ATOM 0 HG2 PRO A 32 13.380 47.883 -11.357 1.00 63.51 H new ATOM 0 HG3 PRO A 32 11.731 47.378 -11.046 1.00 63.51 H new ATOM 0 HD2 PRO A 32 13.858 45.932 -10.152 1.00 24.02 H new ATOM 0 HD3 PRO A 32 12.350 45.159 -10.601 1.00 24.02 H new ATOM 509 N SER A 33 15.642 45.845 -14.602 1.00 75.14 N ATOM 510 CA SER A 33 16.853 46.422 -15.173 1.00 40.00 C ATOM 511 C SER A 33 16.538 47.193 -16.451 1.00 74.02 C ATOM 512 O SER A 33 17.184 48.194 -16.761 1.00 62.33 O ATOM 513 CB SER A 33 17.877 45.324 -15.466 1.00 23.01 C ATOM 514 OG SER A 33 18.159 45.246 -16.853 1.00 34.45 O ATOM 0 H SER A 33 15.537 44.843 -14.761 1.00 75.14 H new ATOM 0 HA SER A 33 17.273 47.116 -14.445 1.00 40.00 H new ATOM 0 HB2 SER A 33 18.796 45.524 -14.916 1.00 23.01 H new ATOM 0 HB3 SER A 33 17.497 44.365 -15.115 1.00 23.01 H new ATOM 0 HG SER A 33 17.819 44.398 -17.209 1.00 34.45 H new ATOM 520 N ASP A 34 15.539 46.719 -17.189 1.00 5.41 N ATOM 521 CA ASP A 34 15.136 47.364 -18.434 1.00 21.35 C ATOM 522 C ASP A 34 13.778 46.847 -18.898 1.00 30.24 C ATOM 523 O ASP A 34 13.223 45.917 -18.310 1.00 53.43 O ATOM 524 CB ASP A 34 16.185 47.124 -19.520 1.00 64.12 C ATOM 525 CG ASP A 34 16.946 48.385 -19.878 1.00 44.35 C ATOM 526 OD1 ASP A 34 16.295 49.423 -20.120 1.00 10.31 O ATOM 527 OD2 ASP A 34 18.193 48.335 -19.917 1.00 24.34 O ATOM 0 H ASP A 34 14.994 45.891 -16.947 1.00 5.41 H new ATOM 0 HA ASP A 34 15.054 48.435 -18.250 1.00 21.35 H new ATOM 0 HB2 ASP A 34 16.888 46.363 -19.181 1.00 64.12 H new ATOM 0 HB3 ASP A 34 15.697 46.732 -20.412 1.00 64.12 H new ATOM 532 N CYS A 35 13.249 47.455 -19.953 1.00 55.11 N ATOM 533 CA CYS A 35 11.954 47.058 -20.495 1.00 71.40 C ATOM 534 C CYS A 35 12.100 45.860 -21.428 1.00 35.43 C ATOM 535 O CYS A 35 11.143 45.123 -21.662 1.00 71.42 O ATOM 536 CB CYS A 35 11.310 48.226 -21.243 1.00 2.23 C ATOM 537 SG CYS A 35 11.140 49.731 -20.254 1.00 74.34 S ATOM 0 H CYS A 35 13.696 48.225 -20.451 1.00 55.11 H new ATOM 0 HA CYS A 35 11.312 46.772 -19.662 1.00 71.40 H new ATOM 0 HB2 CYS A 35 11.906 48.450 -22.127 1.00 2.23 H new ATOM 0 HB3 CYS A 35 10.324 47.920 -21.593 1.00 2.23 H new ATOM 0 HG CYS A 35 10.588 50.663 -20.973 1.00 74.34 H new ATOM 543 N GLY A 36 13.304 45.672 -21.959 1.00 1.52 N ATOM 544 CA GLY A 36 13.553 44.564 -22.861 1.00 74.35 C ATOM 545 C GLY A 36 13.732 43.249 -22.129 1.00 22.20 C ATOM 546 O GLY A 36 13.618 42.179 -22.726 1.00 24.34 O ATOM 0 H GLY A 36 14.112 46.268 -21.780 1.00 1.52 H new ATOM 0 HA2 GLY A 36 12.722 44.476 -23.561 1.00 74.35 H new ATOM 0 HA3 GLY A 36 14.446 44.773 -23.450 1.00 74.35 H new ATOM 550 N GLU A 37 14.015 43.329 -20.833 1.00 2.14 N ATOM 551 CA GLU A 37 14.213 42.135 -20.019 1.00 44.13 C ATOM 552 C GLU A 37 13.025 41.187 -20.146 1.00 73.24 C ATOM 553 O GLU A 37 13.191 39.969 -20.213 1.00 25.35 O ATOM 554 CB GLU A 37 14.419 42.519 -18.552 1.00 62.43 C ATOM 555 CG GLU A 37 15.044 41.414 -17.716 1.00 50.34 C ATOM 556 CD GLU A 37 16.120 41.929 -16.781 1.00 23.05 C ATOM 557 OE1 GLU A 37 17.015 42.662 -17.251 1.00 0.25 O ATOM 558 OE2 GLU A 37 16.067 41.598 -15.577 1.00 42.13 O ATOM 0 H GLU A 37 14.112 44.208 -20.324 1.00 2.14 H new ATOM 0 HA GLU A 37 15.104 41.623 -20.382 1.00 44.13 H new ATOM 0 HB2 GLU A 37 15.054 43.404 -18.502 1.00 62.43 H new ATOM 0 HB3 GLU A 37 13.457 42.792 -18.118 1.00 62.43 H new ATOM 0 HG2 GLU A 37 14.267 40.921 -17.133 1.00 50.34 H new ATOM 0 HG3 GLU A 37 15.472 40.661 -18.377 1.00 50.34 H new ATOM 565 N LYS A 38 11.824 41.754 -20.180 1.00 13.25 N ATOM 566 CA LYS A 38 10.606 40.962 -20.299 1.00 74.24 C ATOM 567 C LYS A 38 10.641 40.095 -21.554 1.00 43.53 C ATOM 568 O LYS A 38 10.262 38.925 -21.523 1.00 5.14 O ATOM 569 CB LYS A 38 9.379 41.876 -20.333 1.00 10.21 C ATOM 570 CG LYS A 38 8.452 41.695 -19.143 1.00 64.21 C ATOM 571 CD LYS A 38 9.066 42.251 -17.869 1.00 34.32 C ATOM 572 CE LYS A 38 8.131 42.082 -16.681 1.00 13.51 C ATOM 573 NZ LYS A 38 7.862 40.648 -16.385 1.00 62.12 N ATOM 0 H LYS A 38 11.668 42.761 -20.127 1.00 13.25 H new ATOM 0 HA LYS A 38 10.541 40.309 -19.429 1.00 74.24 H new ATOM 0 HB2 LYS A 38 9.710 42.914 -20.370 1.00 10.21 H new ATOM 0 HB3 LYS A 38 8.821 41.687 -21.250 1.00 10.21 H new ATOM 0 HG2 LYS A 38 7.504 42.195 -19.340 1.00 64.21 H new ATOM 0 HG3 LYS A 38 8.232 40.636 -19.010 1.00 64.21 H new ATOM 0 HD2 LYS A 38 10.009 41.743 -17.666 1.00 34.32 H new ATOM 0 HD3 LYS A 38 9.296 43.308 -18.005 1.00 34.32 H new ATOM 0 HE2 LYS A 38 8.569 42.558 -15.804 1.00 13.51 H new ATOM 0 HE3 LYS A 38 7.190 42.593 -16.884 1.00 13.51 H new ATOM 0 HZ1 LYS A 38 7.262 40.575 -15.539 1.00 62.12 H new ATOM 0 HZ2 LYS A 38 7.374 40.212 -17.194 1.00 62.12 H new ATOM 0 HZ3 LYS A 38 8.761 40.154 -16.216 1.00 62.12 H new ATOM 587 N MET A 39 11.100 40.678 -22.657 1.00 43.12 N ATOM 588 CA MET A 39 11.188 39.957 -23.922 1.00 12.41 C ATOM 589 C MET A 39 12.087 38.732 -23.789 1.00 10.44 C ATOM 590 O MET A 39 11.793 37.670 -24.339 1.00 3.53 O ATOM 591 CB MET A 39 11.720 40.878 -25.022 1.00 72.32 C ATOM 592 CG MET A 39 10.722 41.126 -26.142 1.00 1.12 C ATOM 593 SD MET A 39 10.235 39.610 -26.987 1.00 71.21 S ATOM 594 CE MET A 39 8.451 39.713 -26.866 1.00 31.34 C ATOM 0 H MET A 39 11.416 41.647 -22.700 1.00 43.12 H new ATOM 0 HA MET A 39 10.186 39.622 -24.191 1.00 12.41 H new ATOM 0 HB2 MET A 39 12.002 41.833 -24.580 1.00 72.32 H new ATOM 0 HB3 MET A 39 12.626 40.442 -25.443 1.00 72.32 H new ATOM 0 HG2 MET A 39 9.835 41.610 -25.733 1.00 1.12 H new ATOM 0 HG3 MET A 39 11.157 41.816 -26.865 1.00 1.12 H new ATOM 0 HE1 MET A 39 8.003 38.843 -27.345 1.00 31.34 H new ATOM 0 HE2 MET A 39 8.158 39.740 -25.816 1.00 31.34 H new ATOM 0 HE3 MET A 39 8.104 40.619 -27.363 1.00 31.34 H new ATOM 604 N THR A 40 13.185 38.887 -23.055 1.00 32.44 N ATOM 605 CA THR A 40 14.127 37.794 -22.851 1.00 23.15 C ATOM 606 C THR A 40 13.478 36.641 -22.093 1.00 55.53 C ATOM 607 O THR A 40 13.747 35.472 -22.371 1.00 42.11 O ATOM 608 CB THR A 40 15.373 38.264 -22.076 1.00 43.05 C ATOM 609 OG1 THR A 40 16.262 38.961 -22.956 1.00 43.41 O ATOM 610 CG2 THR A 40 16.097 37.083 -21.447 1.00 41.15 C ATOM 0 H THR A 40 13.443 39.759 -22.592 1.00 32.44 H new ATOM 0 HA THR A 40 14.430 37.450 -23.840 1.00 23.15 H new ATOM 0 HB THR A 40 15.048 38.935 -21.281 1.00 43.05 H new ATOM 0 HG1 THR A 40 17.051 39.258 -22.456 1.00 43.41 H new ATOM 0 HG21 THR A 40 16.973 37.440 -20.905 1.00 41.15 H new ATOM 0 HG22 THR A 40 15.427 36.571 -20.756 1.00 41.15 H new ATOM 0 HG23 THR A 40 16.411 36.391 -22.228 1.00 41.15 H new ATOM 618 N LEU A 41 12.620 36.978 -21.136 1.00 70.32 N ATOM 619 CA LEU A 41 11.930 35.970 -20.338 1.00 70.25 C ATOM 620 C LEU A 41 10.892 35.229 -21.176 1.00 4.10 C ATOM 621 O LEU A 41 10.661 34.035 -20.982 1.00 0.11 O ATOM 622 CB LEU A 41 11.256 36.621 -19.130 1.00 12.32 C ATOM 623 CG LEU A 41 10.218 35.768 -18.399 1.00 41.34 C ATOM 624 CD1 LEU A 41 10.830 34.449 -17.953 1.00 53.33 C ATOM 625 CD2 LEU A 41 9.649 36.525 -17.208 1.00 23.43 C ATOM 0 H LEU A 41 12.386 37.941 -20.894 1.00 70.32 H new ATOM 0 HA LEU A 41 12.670 35.250 -19.989 1.00 70.25 H new ATOM 0 HB2 LEU A 41 12.030 36.906 -18.417 1.00 12.32 H new ATOM 0 HB3 LEU A 41 10.773 37.541 -19.461 1.00 12.32 H new ATOM 0 HG LEU A 41 9.402 35.551 -19.089 1.00 41.34 H new ATOM 0 HD11 LEU A 41 10.077 33.855 -17.435 1.00 53.33 H new ATOM 0 HD12 LEU A 41 11.188 33.901 -18.825 1.00 53.33 H new ATOM 0 HD13 LEU A 41 11.665 34.644 -17.280 1.00 53.33 H new ATOM 0 HD21 LEU A 41 8.912 35.903 -16.700 1.00 23.43 H new ATOM 0 HD22 LEU A 41 10.454 36.773 -16.516 1.00 23.43 H new ATOM 0 HD23 LEU A 41 9.173 37.442 -17.554 1.00 23.43 H new ATOM 637 N CYS A 42 10.272 35.944 -22.108 1.00 3.20 N ATOM 638 CA CYS A 42 9.260 35.354 -22.977 1.00 0.32 C ATOM 639 C CYS A 42 9.839 34.189 -23.773 1.00 51.42 C ATOM 640 O CYS A 42 9.188 33.158 -23.945 1.00 4.03 O ATOM 641 CB CYS A 42 8.698 36.410 -23.930 1.00 1.22 C ATOM 642 SG CYS A 42 7.432 35.786 -25.060 1.00 22.32 S ATOM 0 H CYS A 42 10.452 36.933 -22.281 1.00 3.20 H new ATOM 0 HA CYS A 42 8.453 34.976 -22.349 1.00 0.32 H new ATOM 0 HB2 CYS A 42 8.276 37.226 -23.343 1.00 1.22 H new ATOM 0 HB3 CYS A 42 9.517 36.829 -24.515 1.00 1.22 H new ATOM 0 HG CYS A 42 7.017 36.753 -25.824 1.00 22.32 H new ATOM 648 N ILE A 43 11.064 34.362 -24.258 1.00 53.15 N ATOM 649 CA ILE A 43 11.729 33.325 -25.037 1.00 44.43 C ATOM 650 C ILE A 43 12.144 32.154 -24.153 1.00 54.10 C ATOM 651 O ILE A 43 12.085 30.997 -24.570 1.00 14.34 O ATOM 652 CB ILE A 43 12.974 33.875 -25.758 1.00 44.04 C ATOM 653 CG1 ILE A 43 12.561 34.692 -26.985 1.00 24.25 C ATOM 654 CG2 ILE A 43 13.899 32.736 -26.161 1.00 3.11 C ATOM 655 CD1 ILE A 43 13.037 36.127 -26.943 1.00 0.25 C ATOM 0 H ILE A 43 11.616 35.210 -24.125 1.00 53.15 H new ATOM 0 HA ILE A 43 11.011 32.979 -25.780 1.00 44.43 H new ATOM 0 HB ILE A 43 13.512 34.530 -25.073 1.00 44.04 H new ATOM 0 HG12 ILE A 43 12.956 34.213 -27.881 1.00 24.25 H new ATOM 0 HG13 ILE A 43 11.474 34.680 -27.070 1.00 24.25 H new ATOM 0 HG21 ILE A 43 14.774 33.141 -26.669 1.00 3.11 H new ATOM 0 HG22 ILE A 43 14.215 32.192 -25.271 1.00 3.11 H new ATOM 0 HG23 ILE A 43 13.371 32.058 -26.832 1.00 3.11 H new ATOM 0 HD11 ILE A 43 12.708 36.646 -27.844 1.00 0.25 H new ATOM 0 HD12 ILE A 43 12.621 36.623 -26.066 1.00 0.25 H new ATOM 0 HD13 ILE A 43 14.125 36.148 -26.889 1.00 0.25 H new ATOM 667 N SER A 44 12.561 32.462 -22.929 1.00 42.34 N ATOM 668 CA SER A 44 12.987 31.435 -21.986 1.00 3.42 C ATOM 669 C SER A 44 11.806 30.574 -21.550 1.00 13.54 C ATOM 670 O SER A 44 11.839 29.349 -21.665 1.00 3.23 O ATOM 671 CB SER A 44 13.644 32.078 -20.762 1.00 70.35 C ATOM 672 OG SER A 44 13.572 31.221 -19.636 1.00 14.00 O ATOM 0 H SER A 44 12.613 33.414 -22.567 1.00 42.34 H new ATOM 0 HA SER A 44 13.714 30.796 -22.487 1.00 3.42 H new ATOM 0 HB2 SER A 44 14.687 32.307 -20.983 1.00 70.35 H new ATOM 0 HB3 SER A 44 13.151 33.024 -20.535 1.00 70.35 H new ATOM 0 HG SER A 44 14.000 31.654 -18.868 1.00 14.00 H new ATOM 678 N VAL A 45 10.761 31.225 -21.048 1.00 12.32 N ATOM 679 CA VAL A 45 9.567 30.521 -20.595 1.00 2.12 C ATOM 680 C VAL A 45 8.918 29.749 -21.738 1.00 30.44 C ATOM 681 O VAL A 45 8.185 28.784 -21.512 1.00 42.45 O ATOM 682 CB VAL A 45 8.535 31.495 -19.996 1.00 74.41 C ATOM 683 CG1 VAL A 45 7.608 32.024 -21.080 1.00 61.21 C ATOM 684 CG2 VAL A 45 7.741 30.815 -18.890 1.00 42.12 C ATOM 0 H VAL A 45 10.717 32.239 -20.945 1.00 12.32 H new ATOM 0 HA VAL A 45 9.886 29.821 -19.823 1.00 2.12 H new ATOM 0 HB VAL A 45 9.068 32.341 -19.563 1.00 74.41 H new ATOM 0 HG11 VAL A 45 6.886 32.710 -20.638 1.00 61.21 H new ATOM 0 HG12 VAL A 45 8.193 32.549 -21.835 1.00 61.21 H new ATOM 0 HG13 VAL A 45 7.080 31.192 -21.545 1.00 61.21 H new ATOM 0 HG21 VAL A 45 7.016 31.517 -18.478 1.00 42.12 H new ATOM 0 HG22 VAL A 45 7.217 29.950 -19.297 1.00 42.12 H new ATOM 0 HG23 VAL A 45 8.420 30.490 -18.102 1.00 42.12 H new ATOM 694 N LEU A 46 9.192 30.177 -22.965 1.00 13.43 N ATOM 695 CA LEU A 46 8.635 29.526 -24.145 1.00 73.40 C ATOM 696 C LEU A 46 9.236 28.137 -24.335 1.00 65.02 C ATOM 697 O LEU A 46 8.515 27.156 -24.521 1.00 41.14 O ATOM 698 CB LEU A 46 8.887 30.378 -25.390 1.00 2.23 C ATOM 699 CG LEU A 46 7.655 31.029 -26.019 1.00 32.11 C ATOM 700 CD1 LEU A 46 8.064 32.167 -26.941 1.00 61.54 C ATOM 701 CD2 LEU A 46 6.834 29.995 -26.776 1.00 12.12 C ATOM 0 H LEU A 46 9.797 30.973 -23.169 1.00 13.43 H new ATOM 0 HA LEU A 46 7.560 29.420 -23.997 1.00 73.40 H new ATOM 0 HB2 LEU A 46 9.596 31.164 -25.130 1.00 2.23 H new ATOM 0 HB3 LEU A 46 9.367 29.752 -26.143 1.00 2.23 H new ATOM 0 HG LEU A 46 7.038 31.441 -25.221 1.00 32.11 H new ATOM 0 HD11 LEU A 46 7.174 32.618 -27.379 1.00 61.54 H new ATOM 0 HD12 LEU A 46 8.609 32.919 -26.371 1.00 61.54 H new ATOM 0 HD13 LEU A 46 8.703 31.780 -27.735 1.00 61.54 H new ATOM 0 HD21 LEU A 46 5.961 30.476 -27.217 1.00 12.12 H new ATOM 0 HD22 LEU A 46 7.443 29.554 -27.565 1.00 12.12 H new ATOM 0 HD23 LEU A 46 6.509 29.214 -26.089 1.00 12.12 H new ATOM 713 N LEU A 47 10.562 28.060 -24.285 1.00 52.52 N ATOM 714 CA LEU A 47 11.262 26.791 -24.450 1.00 14.13 C ATOM 715 C LEU A 47 10.813 25.781 -23.398 1.00 54.52 C ATOM 716 O LEU A 47 10.743 24.582 -23.665 1.00 13.21 O ATOM 717 CB LEU A 47 12.774 27.004 -24.356 1.00 75.22 C ATOM 718 CG LEU A 47 13.526 27.066 -25.686 1.00 1.42 C ATOM 719 CD1 LEU A 47 12.859 28.054 -26.631 1.00 30.32 C ATOM 720 CD2 LEU A 47 14.982 27.445 -25.457 1.00 62.31 C ATOM 0 H LEU A 47 11.174 28.862 -24.131 1.00 52.52 H new ATOM 0 HA LEU A 47 11.018 26.395 -25.436 1.00 14.13 H new ATOM 0 HB2 LEU A 47 12.957 27.932 -23.814 1.00 75.22 H new ATOM 0 HB3 LEU A 47 13.198 26.197 -23.759 1.00 75.22 H new ATOM 0 HG LEU A 47 13.496 26.078 -26.145 1.00 1.42 H new ATOM 0 HD11 LEU A 47 13.408 28.085 -27.572 1.00 30.32 H new ATOM 0 HD12 LEU A 47 11.832 27.740 -26.820 1.00 30.32 H new ATOM 0 HD13 LEU A 47 12.858 29.046 -26.179 1.00 30.32 H new ATOM 0 HD21 LEU A 47 15.503 27.485 -26.414 1.00 62.31 H new ATOM 0 HD22 LEU A 47 15.032 28.422 -24.976 1.00 62.31 H new ATOM 0 HD23 LEU A 47 15.455 26.700 -24.817 1.00 62.31 H new ATOM 732 N ALA A 48 10.507 26.276 -22.203 1.00 24.11 N ATOM 733 CA ALA A 48 10.061 25.418 -21.113 1.00 32.34 C ATOM 734 C ALA A 48 8.797 24.655 -21.496 1.00 64.05 C ATOM 735 O ALA A 48 8.741 23.430 -21.382 1.00 34.21 O ATOM 736 CB ALA A 48 9.821 26.242 -19.857 1.00 12.25 C ATOM 0 H ALA A 48 10.560 27.267 -21.966 1.00 24.11 H new ATOM 0 HA ALA A 48 10.847 24.690 -20.913 1.00 32.34 H new ATOM 0 HB1 ALA A 48 9.488 25.588 -19.051 1.00 12.25 H new ATOM 0 HB2 ALA A 48 10.747 26.737 -19.564 1.00 12.25 H new ATOM 0 HB3 ALA A 48 9.056 26.992 -20.055 1.00 12.25 H new ATOM 742 N LEU A 49 7.786 25.386 -21.952 1.00 10.14 N ATOM 743 CA LEU A 49 6.522 24.778 -22.352 1.00 51.02 C ATOM 744 C LEU A 49 6.744 23.714 -23.422 1.00 44.14 C ATOM 745 O LEU A 49 6.049 22.698 -23.458 1.00 41.32 O ATOM 746 CB LEU A 49 5.561 25.848 -22.873 1.00 11.22 C ATOM 747 CG LEU A 49 4.189 25.903 -22.200 1.00 72.20 C ATOM 748 CD1 LEU A 49 3.385 24.654 -22.525 1.00 71.50 C ATOM 749 CD2 LEU A 49 4.339 26.066 -20.695 1.00 22.15 C ATOM 0 H LEU A 49 7.817 26.400 -22.054 1.00 10.14 H new ATOM 0 HA LEU A 49 6.084 24.300 -21.476 1.00 51.02 H new ATOM 0 HB2 LEU A 49 6.038 26.822 -22.761 1.00 11.22 H new ATOM 0 HB3 LEU A 49 5.413 25.686 -23.941 1.00 11.22 H new ATOM 0 HG LEU A 49 3.650 26.768 -22.587 1.00 72.20 H new ATOM 0 HD11 LEU A 49 2.412 24.711 -22.038 1.00 71.50 H new ATOM 0 HD12 LEU A 49 3.247 24.581 -23.604 1.00 71.50 H new ATOM 0 HD13 LEU A 49 3.919 23.774 -22.167 1.00 71.50 H new ATOM 0 HD21 LEU A 49 3.352 26.103 -20.233 1.00 22.15 H new ATOM 0 HD22 LEU A 49 4.897 25.221 -20.291 1.00 22.15 H new ATOM 0 HD23 LEU A 49 4.875 26.991 -20.481 1.00 22.15 H new ATOM 761 N THR A 50 7.720 23.953 -24.293 1.00 63.22 N ATOM 762 CA THR A 50 8.036 23.015 -25.364 1.00 14.54 C ATOM 763 C THR A 50 8.580 21.706 -24.805 1.00 33.30 C ATOM 764 O THR A 50 8.359 20.637 -25.375 1.00 22.14 O ATOM 765 CB THR A 50 9.064 23.609 -26.345 1.00 23.42 C ATOM 766 OG1 THR A 50 8.927 25.033 -26.397 1.00 12.00 O ATOM 767 CG2 THR A 50 8.882 23.025 -27.738 1.00 3.21 C ATOM 0 H THR A 50 8.305 24.788 -24.278 1.00 63.22 H new ATOM 0 HA THR A 50 7.106 22.820 -25.898 1.00 14.54 H new ATOM 0 HB THR A 50 10.062 23.354 -25.989 1.00 23.42 H new ATOM 0 HG1 THR A 50 9.586 25.402 -27.022 1.00 12.00 H new ATOM 0 HG21 THR A 50 9.619 23.459 -28.414 1.00 3.21 H new ATOM 0 HG22 THR A 50 9.017 21.944 -27.700 1.00 3.21 H new ATOM 0 HG23 THR A 50 7.879 23.253 -28.100 1.00 3.21 H new ATOM 775 N VAL A 51 9.292 21.795 -23.686 1.00 14.30 N ATOM 776 CA VAL A 51 9.866 20.616 -23.049 1.00 1.32 C ATOM 777 C VAL A 51 8.776 19.673 -22.554 1.00 14.04 C ATOM 778 O VAL A 51 8.823 18.468 -22.800 1.00 64.30 O ATOM 779 CB VAL A 51 10.771 21.003 -21.864 1.00 45.45 C ATOM 780 CG1 VAL A 51 11.468 19.774 -21.300 1.00 52.35 C ATOM 781 CG2 VAL A 51 11.787 22.053 -22.291 1.00 72.33 C ATOM 0 H VAL A 51 9.485 22.672 -23.202 1.00 14.30 H new ATOM 0 HA VAL A 51 10.466 20.109 -23.805 1.00 1.32 H new ATOM 0 HB VAL A 51 10.148 21.430 -21.078 1.00 45.45 H new ATOM 0 HG11 VAL A 51 12.103 20.067 -20.464 1.00 52.35 H new ATOM 0 HG12 VAL A 51 10.721 19.058 -20.955 1.00 52.35 H new ATOM 0 HG13 VAL A 51 12.080 19.314 -22.076 1.00 52.35 H new ATOM 0 HG21 VAL A 51 12.418 22.315 -21.442 1.00 72.33 H new ATOM 0 HG22 VAL A 51 12.407 21.654 -23.094 1.00 72.33 H new ATOM 0 HG23 VAL A 51 11.265 22.943 -22.643 1.00 72.33 H new ATOM 791 N PHE A 52 7.792 20.230 -21.854 1.00 63.41 N ATOM 792 CA PHE A 52 6.689 19.438 -21.323 1.00 73.12 C ATOM 793 C PHE A 52 6.006 18.644 -22.433 1.00 31.32 C ATOM 794 O PHE A 52 5.717 17.457 -22.275 1.00 71.30 O ATOM 795 CB PHE A 52 5.670 20.345 -20.629 1.00 24.31 C ATOM 796 CG PHE A 52 4.543 19.594 -19.981 1.00 33.51 C ATOM 797 CD1 PHE A 52 4.778 18.399 -19.320 1.00 31.21 C ATOM 798 CD2 PHE A 52 3.247 20.082 -20.033 1.00 41.03 C ATOM 799 CE1 PHE A 52 3.742 17.705 -18.722 1.00 44.21 C ATOM 800 CE2 PHE A 52 2.208 19.393 -19.437 1.00 52.11 C ATOM 801 CZ PHE A 52 2.455 18.203 -18.782 1.00 25.32 C ATOM 0 H PHE A 52 7.737 21.226 -21.642 1.00 63.41 H new ATOM 0 HA PHE A 52 7.096 18.736 -20.595 1.00 73.12 H new ATOM 0 HB2 PHE A 52 6.181 20.941 -19.873 1.00 24.31 H new ATOM 0 HB3 PHE A 52 5.259 21.042 -21.359 1.00 24.31 H new ATOM 0 HD1 PHE A 52 5.782 18.005 -19.271 1.00 31.21 H new ATOM 0 HD2 PHE A 52 3.047 21.011 -20.545 1.00 41.03 H new ATOM 0 HE1 PHE A 52 3.939 16.775 -18.209 1.00 44.21 H new ATOM 0 HE2 PHE A 52 1.203 19.785 -19.484 1.00 52.11 H new ATOM 0 HZ PHE A 52 1.644 17.663 -18.317 1.00 25.32 H new ATOM 811 N LEU A 53 5.750 19.307 -23.555 1.00 62.32 N ATOM 812 CA LEU A 53 5.101 18.664 -24.692 1.00 53.14 C ATOM 813 C LEU A 53 5.881 17.433 -25.141 1.00 63.10 C ATOM 814 O LEU A 53 5.351 16.321 -25.160 1.00 40.20 O ATOM 815 CB LEU A 53 4.970 19.650 -25.854 1.00 52.43 C ATOM 816 CG LEU A 53 3.906 19.317 -26.901 1.00 0.30 C ATOM 817 CD1 LEU A 53 2.892 20.446 -27.010 1.00 23.23 C ATOM 818 CD2 LEU A 53 4.553 19.047 -28.252 1.00 31.04 C ATOM 0 H LEU A 53 5.982 20.289 -23.702 1.00 62.32 H new ATOM 0 HA LEU A 53 4.107 18.346 -24.378 1.00 53.14 H new ATOM 0 HB2 LEU A 53 4.752 20.636 -25.444 1.00 52.43 H new ATOM 0 HB3 LEU A 53 5.935 19.720 -26.356 1.00 52.43 H new ATOM 0 HG LEU A 53 3.382 18.415 -26.584 1.00 0.30 H new ATOM 0 HD11 LEU A 53 2.143 20.191 -27.760 1.00 23.23 H new ATOM 0 HD12 LEU A 53 2.405 20.592 -26.046 1.00 23.23 H new ATOM 0 HD13 LEU A 53 3.400 21.365 -27.303 1.00 23.23 H new ATOM 0 HD21 LEU A 53 3.781 18.812 -28.985 1.00 31.04 H new ATOM 0 HD22 LEU A 53 5.103 19.931 -28.575 1.00 31.04 H new ATOM 0 HD23 LEU A 53 5.239 18.205 -28.165 1.00 31.04 H new ATOM 830 N LEU A 54 7.144 17.638 -25.499 1.00 71.45 N ATOM 831 CA LEU A 54 7.999 16.544 -25.946 1.00 65.40 C ATOM 832 C LEU A 54 8.008 15.408 -24.927 1.00 50.34 C ATOM 833 O LEU A 54 8.103 14.235 -25.290 1.00 43.01 O ATOM 834 CB LEU A 54 9.425 17.047 -26.178 1.00 3.04 C ATOM 835 CG LEU A 54 10.206 16.360 -27.299 1.00 12.13 C ATOM 836 CD1 LEU A 54 9.636 16.740 -28.656 1.00 51.35 C ATOM 837 CD2 LEU A 54 11.682 16.720 -27.218 1.00 63.54 C ATOM 0 H LEU A 54 7.598 18.551 -25.488 1.00 71.45 H new ATOM 0 HA LEU A 54 7.597 16.162 -26.885 1.00 65.40 H new ATOM 0 HB2 LEU A 54 9.381 18.114 -26.394 1.00 3.04 H new ATOM 0 HB3 LEU A 54 9.985 16.932 -25.250 1.00 3.04 H new ATOM 0 HG LEU A 54 10.109 15.281 -27.176 1.00 12.13 H new ATOM 0 HD11 LEU A 54 10.204 16.242 -29.442 1.00 51.35 H new ATOM 0 HD12 LEU A 54 8.592 16.431 -28.712 1.00 51.35 H new ATOM 0 HD13 LEU A 54 9.702 17.820 -28.789 1.00 51.35 H new ATOM 0 HD21 LEU A 54 12.223 16.222 -28.023 1.00 63.54 H new ATOM 0 HD22 LEU A 54 11.799 17.799 -27.315 1.00 63.54 H new ATOM 0 HD23 LEU A 54 12.083 16.397 -26.258 1.00 63.54 H new ATOM 849 N LEU A 55 7.906 15.764 -23.652 1.00 14.53 N ATOM 850 CA LEU A 55 7.899 14.775 -22.579 1.00 41.44 C ATOM 851 C LEU A 55 6.851 13.698 -22.838 1.00 54.35 C ATOM 852 O LEU A 55 7.175 12.515 -22.940 1.00 73.35 O ATOM 853 CB LEU A 55 7.629 15.453 -21.235 1.00 51.41 C ATOM 854 CG LEU A 55 8.626 15.148 -20.117 1.00 44.50 C ATOM 855 CD1 LEU A 55 9.838 16.061 -20.219 1.00 44.44 C ATOM 856 CD2 LEU A 55 7.962 15.292 -18.756 1.00 32.14 C ATOM 0 H LEU A 55 7.827 16.730 -23.335 1.00 14.53 H new ATOM 0 HA LEU A 55 8.880 14.301 -22.549 1.00 41.44 H new ATOM 0 HB2 LEU A 55 7.609 16.531 -21.392 1.00 51.41 H new ATOM 0 HB3 LEU A 55 6.635 15.162 -20.897 1.00 51.41 H new ATOM 0 HG LEU A 55 8.962 14.117 -20.228 1.00 44.50 H new ATOM 0 HD11 LEU A 55 10.537 15.829 -19.415 1.00 44.44 H new ATOM 0 HD12 LEU A 55 10.328 15.909 -21.181 1.00 44.44 H new ATOM 0 HD13 LEU A 55 9.519 17.100 -20.134 1.00 44.44 H new ATOM 0 HD21 LEU A 55 8.687 15.071 -17.972 1.00 32.14 H new ATOM 0 HD22 LEU A 55 7.597 16.312 -18.635 1.00 32.14 H new ATOM 0 HD23 LEU A 55 7.126 14.596 -18.684 1.00 32.14 H new ATOM 868 N ILE A 56 5.594 14.117 -22.946 1.00 21.22 N ATOM 869 CA ILE A 56 4.499 13.188 -23.197 1.00 10.13 C ATOM 870 C ILE A 56 4.467 12.758 -24.659 1.00 52.24 C ATOM 871 O ILE A 56 3.950 11.692 -24.992 1.00 63.34 O ATOM 872 CB ILE A 56 3.139 13.808 -22.826 1.00 11.15 C ATOM 873 CG1 ILE A 56 3.185 14.382 -21.408 1.00 3.20 C ATOM 874 CG2 ILE A 56 2.033 12.770 -22.947 1.00 0.34 C ATOM 875 CD1 ILE A 56 3.462 15.869 -21.367 1.00 25.31 C ATOM 0 H ILE A 56 5.309 15.093 -22.864 1.00 21.22 H new ATOM 0 HA ILE A 56 4.675 12.315 -22.568 1.00 10.13 H new ATOM 0 HB ILE A 56 2.926 14.621 -23.520 1.00 11.15 H new ATOM 0 HG12 ILE A 56 2.234 14.184 -20.913 1.00 3.20 H new ATOM 0 HG13 ILE A 56 3.955 13.861 -20.839 1.00 3.20 H new ATOM 0 HG21 ILE A 56 1.078 13.223 -22.682 1.00 0.34 H new ATOM 0 HG22 ILE A 56 1.988 12.404 -23.973 1.00 0.34 H new ATOM 0 HG23 ILE A 56 2.239 11.938 -22.274 1.00 0.34 H new ATOM 0 HD11 ILE A 56 3.480 16.207 -20.331 1.00 25.31 H new ATOM 0 HD12 ILE A 56 4.426 16.072 -21.832 1.00 25.31 H new ATOM 0 HD13 ILE A 56 2.679 16.400 -21.908 1.00 25.31 H new ATOM 1056 N SER A 69 -4.605 13.348 -16.984 1.00 55.33 N ATOM 1057 CA SER A 69 -3.853 14.311 -16.189 1.00 42.41 C ATOM 1058 C SER A 69 -3.121 15.304 -17.088 1.00 14.25 C ATOM 1059 O SER A 69 -2.886 16.450 -16.704 1.00 13.12 O ATOM 1060 CB SER A 69 -2.851 13.588 -15.287 1.00 63.15 C ATOM 1061 OG SER A 69 -2.297 14.472 -14.329 1.00 4.04 O ATOM 0 HA SER A 69 -4.559 14.862 -15.567 1.00 42.41 H new ATOM 0 HB2 SER A 69 -3.346 12.760 -14.779 1.00 63.15 H new ATOM 0 HB3 SER A 69 -2.054 13.159 -15.894 1.00 63.15 H new ATOM 0 HG SER A 69 -1.661 13.985 -13.764 1.00 4.04 H new ATOM 1067 N VAL A 70 -2.764 14.855 -18.287 1.00 3.45 N ATOM 1068 CA VAL A 70 -2.060 15.703 -19.241 1.00 42.04 C ATOM 1069 C VAL A 70 -2.882 16.938 -19.590 1.00 54.25 C ATOM 1070 O VAL A 70 -2.335 18.009 -19.850 1.00 63.45 O ATOM 1071 CB VAL A 70 -1.730 14.936 -20.536 1.00 53.40 C ATOM 1072 CG1 VAL A 70 -0.758 13.802 -20.252 1.00 63.12 C ATOM 1073 CG2 VAL A 70 -3.003 14.410 -21.181 1.00 71.34 C ATOM 0 H VAL A 70 -2.951 13.909 -18.620 1.00 3.45 H new ATOM 0 HA VAL A 70 -1.130 16.013 -18.764 1.00 42.04 H new ATOM 0 HB VAL A 70 -1.253 15.624 -21.234 1.00 53.40 H new ATOM 0 HG11 VAL A 70 -0.537 13.272 -21.178 1.00 63.12 H new ATOM 0 HG12 VAL A 70 0.164 14.209 -19.837 1.00 63.12 H new ATOM 0 HG13 VAL A 70 -1.204 13.111 -19.536 1.00 63.12 H new ATOM 0 HG21 VAL A 70 -2.752 13.871 -22.094 1.00 71.34 H new ATOM 0 HG22 VAL A 70 -3.510 13.737 -20.490 1.00 71.34 H new ATOM 0 HG23 VAL A 70 -3.661 15.245 -21.422 1.00 71.34 H new ATOM 1083 N GLY A 71 -4.203 16.782 -19.594 1.00 21.32 N ATOM 1084 CA GLY A 71 -5.081 17.893 -19.912 1.00 23.32 C ATOM 1085 C GLY A 71 -5.287 18.824 -18.734 1.00 42.40 C ATOM 1086 O GLY A 71 -5.332 20.043 -18.899 1.00 64.24 O ATOM 0 H GLY A 71 -4.680 15.906 -19.383 1.00 21.32 H new ATOM 0 HA2 GLY A 71 -4.663 18.455 -20.747 1.00 23.32 H new ATOM 0 HA3 GLY A 71 -6.046 17.507 -20.239 1.00 23.32 H new ATOM 1090 N GLU A 72 -5.414 18.250 -17.542 1.00 72.30 N ATOM 1091 CA GLU A 72 -5.619 19.038 -16.333 1.00 14.23 C ATOM 1092 C GLU A 72 -4.462 20.008 -16.113 1.00 12.42 C ATOM 1093 O GLU A 72 -4.651 21.225 -16.107 1.00 3.23 O ATOM 1094 CB GLU A 72 -5.767 18.120 -15.118 1.00 14.14 C ATOM 1095 CG GLU A 72 -7.119 18.230 -14.433 1.00 74.40 C ATOM 1096 CD GLU A 72 -7.306 19.554 -13.719 1.00 11.03 C ATOM 1097 OE1 GLU A 72 -7.649 20.548 -14.391 1.00 54.43 O ATOM 1098 OE2 GLU A 72 -7.109 19.595 -12.486 1.00 41.41 O ATOM 0 H GLU A 72 -5.379 17.242 -17.388 1.00 72.30 H new ATOM 0 HA GLU A 72 -6.535 19.615 -16.457 1.00 14.23 H new ATOM 0 HB2 GLU A 72 -5.611 17.088 -15.432 1.00 14.14 H new ATOM 0 HB3 GLU A 72 -4.984 18.356 -14.397 1.00 14.14 H new ATOM 0 HG2 GLU A 72 -7.909 18.107 -15.174 1.00 74.40 H new ATOM 0 HG3 GLU A 72 -7.226 17.416 -13.715 1.00 74.40 H new ATOM 1105 N TYR A 73 -3.265 19.461 -15.932 1.00 55.13 N ATOM 1106 CA TYR A 73 -2.078 20.277 -15.709 1.00 22.11 C ATOM 1107 C TYR A 73 -1.881 21.275 -16.846 1.00 2.13 C ATOM 1108 O TYR A 73 -1.615 22.455 -16.613 1.00 13.21 O ATOM 1109 CB TYR A 73 -0.840 19.388 -15.576 1.00 33.31 C ATOM 1110 CG TYR A 73 0.345 20.089 -14.953 1.00 45.53 C ATOM 1111 CD1 TYR A 73 0.225 20.753 -13.738 1.00 65.51 C ATOM 1112 CD2 TYR A 73 1.585 20.090 -15.580 1.00 42.43 C ATOM 1113 CE1 TYR A 73 1.306 21.396 -13.166 1.00 32.34 C ATOM 1114 CE2 TYR A 73 2.671 20.730 -15.015 1.00 23.45 C ATOM 1115 CZ TYR A 73 2.527 21.381 -13.807 1.00 74.04 C ATOM 1116 OH TYR A 73 3.606 22.020 -13.241 1.00 52.12 O ATOM 0 H TYR A 73 -3.091 18.456 -15.935 1.00 55.13 H new ATOM 0 HA TYR A 73 -2.220 20.833 -14.782 1.00 22.11 H new ATOM 0 HB2 TYR A 73 -1.093 18.515 -14.974 1.00 33.31 H new ATOM 0 HB3 TYR A 73 -0.557 19.023 -16.563 1.00 33.31 H new ATOM 0 HD1 TYR A 73 -0.729 20.767 -13.232 1.00 65.51 H new ATOM 0 HD2 TYR A 73 1.702 19.582 -16.526 1.00 42.43 H new ATOM 0 HE1 TYR A 73 1.195 21.908 -12.221 1.00 32.34 H new ATOM 0 HE2 TYR A 73 3.628 20.721 -15.516 1.00 23.45 H new ATOM 0 HH TYR A 73 4.390 21.913 -13.819 1.00 52.12 H new ATOM 1126 N LEU A 74 -2.013 20.793 -18.077 1.00 14.44 N ATOM 1127 CA LEU A 74 -1.851 21.642 -19.252 1.00 13.10 C ATOM 1128 C LEU A 74 -2.839 22.804 -19.225 1.00 72.12 C ATOM 1129 O LEU A 74 -2.550 23.889 -19.729 1.00 73.33 O ATOM 1130 CB LEU A 74 -2.046 20.822 -20.528 1.00 64.24 C ATOM 1131 CG LEU A 74 -1.919 21.589 -21.845 1.00 52.00 C ATOM 1132 CD1 LEU A 74 -0.605 22.353 -21.894 1.00 31.03 C ATOM 1133 CD2 LEU A 74 -2.030 20.639 -23.029 1.00 11.13 C ATOM 0 H LEU A 74 -2.232 19.819 -18.287 1.00 14.44 H new ATOM 0 HA LEU A 74 -0.840 22.049 -19.239 1.00 13.10 H new ATOM 0 HB2 LEU A 74 -1.316 20.012 -20.531 1.00 64.24 H new ATOM 0 HB3 LEU A 74 -3.033 20.361 -20.493 1.00 64.24 H new ATOM 0 HG LEU A 74 -2.736 22.308 -21.904 1.00 52.00 H new ATOM 0 HD11 LEU A 74 -0.533 22.892 -22.838 1.00 31.03 H new ATOM 0 HD12 LEU A 74 -0.565 23.062 -21.067 1.00 31.03 H new ATOM 0 HD13 LEU A 74 0.226 21.653 -21.812 1.00 31.03 H new ATOM 0 HD21 LEU A 74 -1.937 21.202 -23.957 1.00 11.13 H new ATOM 0 HD22 LEU A 74 -1.235 19.896 -22.975 1.00 11.13 H new ATOM 0 HD23 LEU A 74 -2.998 20.138 -23.004 1.00 11.13 H new ATOM 1145 N MET A 75 -4.005 22.569 -18.632 1.00 1.13 N ATOM 1146 CA MET A 75 -5.034 23.598 -18.536 1.00 73.32 C ATOM 1147 C MET A 75 -4.532 24.797 -17.738 1.00 71.14 C ATOM 1148 O MET A 75 -4.608 25.937 -18.198 1.00 60.40 O ATOM 1149 CB MET A 75 -6.295 23.028 -17.884 1.00 14.34 C ATOM 1150 CG MET A 75 -7.516 23.920 -18.041 1.00 35.22 C ATOM 1151 SD MET A 75 -8.589 23.397 -19.393 1.00 44.30 S ATOM 1152 CE MET A 75 -8.094 24.542 -20.679 1.00 12.12 C ATOM 0 H MET A 75 -4.261 21.676 -18.211 1.00 1.13 H new ATOM 0 HA MET A 75 -5.274 23.932 -19.545 1.00 73.32 H new ATOM 0 HB2 MET A 75 -6.510 22.052 -18.319 1.00 14.34 H new ATOM 0 HB3 MET A 75 -6.105 22.869 -16.822 1.00 14.34 H new ATOM 0 HG2 MET A 75 -8.084 23.919 -17.111 1.00 35.22 H new ATOM 0 HG3 MET A 75 -7.192 24.946 -18.216 1.00 35.22 H new ATOM 0 HE1 MET A 75 -8.764 24.442 -21.533 1.00 12.12 H new ATOM 0 HE2 MET A 75 -8.143 25.562 -20.297 1.00 12.12 H new ATOM 0 HE3 MET A 75 -7.073 24.320 -20.991 1.00 12.12 H new ATOM 1162 N PHE A 76 -4.019 24.533 -16.541 1.00 73.22 N ATOM 1163 CA PHE A 76 -3.506 25.591 -15.679 1.00 61.11 C ATOM 1164 C PHE A 76 -2.250 26.219 -16.277 1.00 74.34 C ATOM 1165 O PHE A 76 -1.930 27.376 -16.004 1.00 65.13 O ATOM 1166 CB PHE A 76 -3.199 25.039 -14.286 1.00 31.45 C ATOM 1167 CG PHE A 76 -4.428 24.707 -13.488 1.00 50.31 C ATOM 1168 CD1 PHE A 76 -5.394 25.671 -13.246 1.00 63.03 C ATOM 1169 CD2 PHE A 76 -4.617 23.432 -12.980 1.00 13.32 C ATOM 1170 CE1 PHE A 76 -6.526 25.369 -12.513 1.00 51.42 C ATOM 1171 CE2 PHE A 76 -5.748 23.125 -12.246 1.00 64.24 C ATOM 1172 CZ PHE A 76 -6.703 24.095 -12.012 1.00 24.33 C ATOM 0 H PHE A 76 -3.948 23.595 -16.146 1.00 73.22 H new ATOM 0 HA PHE A 76 -4.273 26.361 -15.596 1.00 61.11 H new ATOM 0 HB2 PHE A 76 -2.587 24.142 -14.386 1.00 31.45 H new ATOM 0 HB3 PHE A 76 -2.606 25.770 -13.737 1.00 31.45 H new ATOM 0 HD1 PHE A 76 -5.261 26.670 -13.635 1.00 63.03 H new ATOM 0 HD2 PHE A 76 -3.873 22.670 -13.159 1.00 13.32 H new ATOM 0 HE1 PHE A 76 -7.272 26.129 -12.332 1.00 51.42 H new ATOM 0 HE2 PHE A 76 -5.885 22.127 -11.856 1.00 64.24 H new ATOM 0 HZ PHE A 76 -7.586 23.857 -11.438 1.00 24.33 H new ATOM 1182 N THR A 77 -1.542 25.446 -17.096 1.00 0.44 N ATOM 1183 CA THR A 77 -0.321 25.924 -17.732 1.00 1.45 C ATOM 1184 C THR A 77 -0.633 26.926 -18.837 1.00 42.15 C ATOM 1185 O THR A 77 0.137 27.855 -19.082 1.00 31.24 O ATOM 1186 CB THR A 77 0.497 24.761 -18.324 1.00 34.02 C ATOM 1187 OG1 THR A 77 1.159 24.044 -17.276 1.00 11.31 O ATOM 1188 CG2 THR A 77 1.524 25.274 -19.322 1.00 14.22 C ATOM 0 H THR A 77 -1.794 24.487 -17.334 1.00 0.44 H new ATOM 0 HA THR A 77 0.268 26.414 -16.957 1.00 1.45 H new ATOM 0 HB THR A 77 -0.189 24.092 -18.844 1.00 34.02 H new ATOM 0 HG1 THR A 77 0.525 23.432 -16.848 1.00 11.31 H new ATOM 0 HG21 THR A 77 2.089 24.434 -19.726 1.00 14.22 H new ATOM 0 HG22 THR A 77 1.015 25.793 -20.134 1.00 14.22 H new ATOM 0 HG23 THR A 77 2.205 25.963 -18.822 1.00 14.22 H new ATOM 1196 N MET A 78 -1.767 26.732 -19.503 1.00 64.30 N ATOM 1197 CA MET A 78 -2.181 27.620 -20.583 1.00 4.55 C ATOM 1198 C MET A 78 -2.625 28.973 -20.033 1.00 62.55 C ATOM 1199 O MET A 78 -2.110 30.016 -20.434 1.00 45.24 O ATOM 1200 CB MET A 78 -3.316 26.986 -21.387 1.00 73.34 C ATOM 1201 CG MET A 78 -2.869 25.819 -22.253 1.00 72.11 C ATOM 1202 SD MET A 78 -2.292 26.342 -23.879 1.00 64.12 S ATOM 1203 CE MET A 78 -0.743 25.449 -23.992 1.00 33.51 C ATOM 0 H MET A 78 -2.415 25.968 -19.314 1.00 64.30 H new ATOM 0 HA MET A 78 -1.325 27.777 -21.240 1.00 4.55 H new ATOM 0 HB2 MET A 78 -4.089 26.643 -20.700 1.00 73.34 H new ATOM 0 HB3 MET A 78 -3.769 27.747 -22.023 1.00 73.34 H new ATOM 0 HG2 MET A 78 -2.070 25.279 -21.745 1.00 72.11 H new ATOM 0 HG3 MET A 78 -3.698 25.122 -22.373 1.00 72.11 H new ATOM 0 HE1 MET A 78 -0.036 26.022 -24.592 1.00 33.51 H new ATOM 0 HE2 MET A 78 -0.335 25.301 -22.992 1.00 33.51 H new ATOM 0 HE3 MET A 78 -0.915 24.480 -24.461 1.00 33.51 H new ATOM 1213 N VAL A 79 -3.585 28.947 -19.114 1.00 65.40 N ATOM 1214 CA VAL A 79 -4.097 30.170 -18.510 1.00 14.24 C ATOM 1215 C VAL A 79 -2.964 31.026 -17.955 1.00 33.25 C ATOM 1216 O VAL A 79 -3.019 32.255 -18.003 1.00 42.41 O ATOM 1217 CB VAL A 79 -5.095 29.862 -17.377 1.00 61.53 C ATOM 1218 CG1 VAL A 79 -4.457 28.956 -16.335 1.00 64.44 C ATOM 1219 CG2 VAL A 79 -5.594 31.150 -16.741 1.00 40.24 C ATOM 0 H VAL A 79 -4.023 28.092 -18.772 1.00 65.40 H new ATOM 0 HA VAL A 79 -4.611 30.720 -19.298 1.00 14.24 H new ATOM 0 HB VAL A 79 -5.951 29.339 -17.803 1.00 61.53 H new ATOM 0 HG11 VAL A 79 -5.177 28.749 -15.543 1.00 64.44 H new ATOM 0 HG12 VAL A 79 -4.154 28.020 -16.803 1.00 64.44 H new ATOM 0 HG13 VAL A 79 -3.582 29.449 -15.911 1.00 64.44 H new ATOM 0 HG21 VAL A 79 -6.298 30.913 -15.943 1.00 40.24 H new ATOM 0 HG22 VAL A 79 -4.750 31.703 -16.328 1.00 40.24 H new ATOM 0 HG23 VAL A 79 -6.092 31.759 -17.495 1.00 40.24 H new ATOM 1229 N LEU A 80 -1.937 30.368 -17.428 1.00 15.15 N ATOM 1230 CA LEU A 80 -0.789 31.068 -16.863 1.00 10.32 C ATOM 1231 C LEU A 80 0.029 31.744 -17.958 1.00 65.03 C ATOM 1232 O LEU A 80 0.304 32.942 -17.893 1.00 43.21 O ATOM 1233 CB LEU A 80 0.092 30.094 -16.079 1.00 44.12 C ATOM 1234 CG LEU A 80 -0.137 30.048 -14.568 1.00 42.31 C ATOM 1235 CD1 LEU A 80 0.444 28.772 -13.979 1.00 1.55 C ATOM 1236 CD2 LEU A 80 0.472 31.272 -13.899 1.00 55.31 C ATOM 0 H LEU A 80 -1.876 29.351 -17.380 1.00 15.15 H new ATOM 0 HA LEU A 80 -1.161 31.837 -16.186 1.00 10.32 H new ATOM 0 HB2 LEU A 80 -0.062 29.092 -16.480 1.00 44.12 H new ATOM 0 HB3 LEU A 80 1.135 30.353 -16.260 1.00 44.12 H new ATOM 0 HG LEU A 80 -1.211 30.054 -14.382 1.00 42.31 H new ATOM 0 HD11 LEU A 80 0.272 28.757 -12.903 1.00 1.55 H new ATOM 0 HD12 LEU A 80 -0.038 27.908 -14.436 1.00 1.55 H new ATOM 0 HD13 LEU A 80 1.516 28.736 -14.175 1.00 1.55 H new ATOM 0 HD21 LEU A 80 0.300 31.223 -12.824 1.00 55.31 H new ATOM 0 HD22 LEU A 80 1.544 31.297 -14.094 1.00 55.31 H new ATOM 0 HD23 LEU A 80 0.009 32.174 -14.300 1.00 55.31 H new ATOM 1248 N VAL A 81 0.415 30.968 -18.966 1.00 73.42 N ATOM 1249 CA VAL A 81 1.199 31.491 -20.078 1.00 52.33 C ATOM 1250 C VAL A 81 0.507 32.687 -20.723 1.00 44.40 C ATOM 1251 O VAL A 81 1.162 33.616 -21.198 1.00 41.01 O ATOM 1252 CB VAL A 81 1.441 30.413 -21.151 1.00 24.11 C ATOM 1253 CG1 VAL A 81 2.178 31.003 -22.344 1.00 74.42 C ATOM 1254 CG2 VAL A 81 2.214 29.242 -20.563 1.00 71.31 C ATOM 0 H VAL A 81 0.197 29.974 -19.035 1.00 73.42 H new ATOM 0 HA VAL A 81 2.158 31.806 -19.668 1.00 52.33 H new ATOM 0 HB VAL A 81 0.475 30.045 -21.497 1.00 24.11 H new ATOM 0 HG11 VAL A 81 2.340 30.227 -23.092 1.00 74.42 H new ATOM 0 HG12 VAL A 81 1.583 31.806 -22.778 1.00 74.42 H new ATOM 0 HG13 VAL A 81 3.140 31.399 -22.018 1.00 74.42 H new ATOM 0 HG21 VAL A 81 2.377 28.489 -21.334 1.00 71.31 H new ATOM 0 HG22 VAL A 81 3.176 29.592 -20.189 1.00 71.31 H new ATOM 0 HG23 VAL A 81 1.644 28.804 -19.743 1.00 71.31 H new ATOM 1264 N THR A 82 -0.822 32.659 -20.736 1.00 42.42 N ATOM 1265 CA THR A 82 -1.603 33.741 -21.323 1.00 72.41 C ATOM 1266 C THR A 82 -1.401 35.043 -20.558 1.00 12.24 C ATOM 1267 O THR A 82 -1.224 36.105 -21.155 1.00 65.01 O ATOM 1268 CB THR A 82 -3.105 33.400 -21.346 1.00 71.45 C ATOM 1269 OG1 THR A 82 -3.319 32.175 -22.058 1.00 44.40 O ATOM 1270 CG2 THR A 82 -3.904 34.518 -22.000 1.00 23.44 C ATOM 0 H THR A 82 -1.380 31.899 -20.347 1.00 42.42 H new ATOM 0 HA THR A 82 -1.250 33.866 -22.347 1.00 72.41 H new ATOM 0 HB THR A 82 -3.445 33.286 -20.317 1.00 71.45 H new ATOM 0 HG1 THR A 82 -2.930 31.431 -21.553 1.00 44.40 H new ATOM 0 HG21 THR A 82 -4.962 34.255 -22.005 1.00 23.44 H new ATOM 0 HG22 THR A 82 -3.763 35.442 -21.440 1.00 23.44 H new ATOM 0 HG23 THR A 82 -3.561 34.659 -23.025 1.00 23.44 H new ATOM 1278 N PHE A 83 -1.429 34.955 -19.232 1.00 0.41 N ATOM 1279 CA PHE A 83 -1.249 36.128 -18.384 1.00 52.21 C ATOM 1280 C PHE A 83 0.135 36.738 -18.586 1.00 11.02 C ATOM 1281 O PHE A 83 0.309 37.953 -18.497 1.00 15.50 O ATOM 1282 CB PHE A 83 -1.445 35.755 -16.913 1.00 52.31 C ATOM 1283 CG PHE A 83 -2.805 36.109 -16.381 1.00 63.32 C ATOM 1284 CD1 PHE A 83 -3.194 37.433 -16.263 1.00 1.24 C ATOM 1285 CD2 PHE A 83 -3.694 35.116 -16.000 1.00 45.53 C ATOM 1286 CE1 PHE A 83 -4.444 37.761 -15.773 1.00 21.03 C ATOM 1287 CE2 PHE A 83 -4.945 35.438 -15.510 1.00 12.20 C ATOM 1288 CZ PHE A 83 -5.321 36.762 -15.397 1.00 51.31 C ATOM 0 H PHE A 83 -1.575 34.084 -18.722 1.00 0.41 H new ATOM 0 HA PHE A 83 -1.998 36.868 -18.667 1.00 52.21 H new ATOM 0 HB2 PHE A 83 -1.284 34.684 -16.794 1.00 52.31 H new ATOM 0 HB3 PHE A 83 -0.687 36.260 -16.314 1.00 52.31 H new ATOM 0 HD1 PHE A 83 -2.513 38.218 -16.557 1.00 1.24 H new ATOM 0 HD2 PHE A 83 -3.405 34.079 -16.087 1.00 45.53 H new ATOM 0 HE1 PHE A 83 -4.735 38.797 -15.684 1.00 21.03 H new ATOM 0 HE2 PHE A 83 -5.628 34.655 -15.216 1.00 12.20 H new ATOM 0 HZ PHE A 83 -6.299 37.016 -15.015 1.00 51.31 H new ATOM 1298 N SER A 84 1.117 35.885 -18.857 1.00 62.31 N ATOM 1299 CA SER A 84 2.487 36.338 -19.067 1.00 62.21 C ATOM 1300 C SER A 84 2.578 37.243 -20.292 1.00 24.20 C ATOM 1301 O SER A 84 3.215 38.296 -20.253 1.00 24.11 O ATOM 1302 CB SER A 84 3.423 35.139 -19.234 1.00 3.22 C ATOM 1303 OG SER A 84 4.543 35.474 -20.035 1.00 4.44 O ATOM 0 H SER A 84 0.990 34.876 -18.936 1.00 62.31 H new ATOM 0 HA SER A 84 2.793 36.910 -18.191 1.00 62.21 H new ATOM 0 HB2 SER A 84 3.761 34.798 -18.255 1.00 3.22 H new ATOM 0 HB3 SER A 84 2.880 34.311 -19.690 1.00 3.22 H new ATOM 0 HG SER A 84 5.126 34.692 -20.125 1.00 4.44 H new ATOM 1309 N ILE A 85 1.937 36.824 -21.378 1.00 2.41 N ATOM 1310 CA ILE A 85 1.944 37.597 -22.614 1.00 24.21 C ATOM 1311 C ILE A 85 1.302 38.965 -22.411 1.00 4.01 C ATOM 1312 O ILE A 85 1.760 39.966 -22.963 1.00 73.44 O ATOM 1313 CB ILE A 85 1.204 36.858 -23.744 1.00 62.42 C ATOM 1314 CG1 ILE A 85 1.840 35.488 -23.989 1.00 62.33 C ATOM 1315 CG2 ILE A 85 1.217 37.689 -25.018 1.00 50.11 C ATOM 1316 CD1 ILE A 85 3.214 35.563 -24.618 1.00 1.14 C ATOM 0 H ILE A 85 1.407 35.954 -21.427 1.00 2.41 H new ATOM 0 HA ILE A 85 2.988 37.727 -22.899 1.00 24.21 H new ATOM 0 HB ILE A 85 0.168 36.708 -23.442 1.00 62.42 H new ATOM 0 HG12 ILE A 85 1.912 34.955 -23.041 1.00 62.33 H new ATOM 0 HG13 ILE A 85 1.185 34.903 -24.635 1.00 62.33 H new ATOM 0 HG21 ILE A 85 0.690 37.153 -25.807 1.00 50.11 H new ATOM 0 HG22 ILE A 85 0.723 38.643 -24.835 1.00 50.11 H new ATOM 0 HG23 ILE A 85 2.247 37.867 -25.326 1.00 50.11 H new ATOM 0 HD11 ILE A 85 3.604 34.555 -24.762 1.00 1.14 H new ATOM 0 HD12 ILE A 85 3.146 36.067 -25.582 1.00 1.14 H new ATOM 0 HD13 ILE A 85 3.884 36.120 -23.963 1.00 1.14 H new ATOM 1328 N VAL A 86 0.240 39.002 -21.613 1.00 21.43 N ATOM 1329 CA VAL A 86 -0.464 40.248 -21.333 1.00 62.45 C ATOM 1330 C VAL A 86 0.453 41.255 -20.648 1.00 74.20 C ATOM 1331 O VAL A 86 0.504 42.425 -21.029 1.00 33.12 O ATOM 1332 CB VAL A 86 -1.699 40.007 -20.446 1.00 15.41 C ATOM 1333 CG1 VAL A 86 -2.300 41.331 -19.997 1.00 31.20 C ATOM 1334 CG2 VAL A 86 -2.731 39.168 -21.185 1.00 24.11 C ATOM 0 H VAL A 86 -0.152 38.183 -21.149 1.00 21.43 H new ATOM 0 HA VAL A 86 -0.789 40.651 -22.292 1.00 62.45 H new ATOM 0 HB VAL A 86 -1.385 39.457 -19.559 1.00 15.41 H new ATOM 0 HG11 VAL A 86 -3.172 41.141 -19.371 1.00 31.20 H new ATOM 0 HG12 VAL A 86 -1.559 41.892 -19.427 1.00 31.20 H new ATOM 0 HG13 VAL A 86 -2.600 41.909 -20.871 1.00 31.20 H new ATOM 0 HG21 VAL A 86 -3.597 39.008 -20.543 1.00 24.11 H new ATOM 0 HG22 VAL A 86 -3.042 39.689 -22.091 1.00 24.11 H new ATOM 0 HG23 VAL A 86 -2.294 38.206 -21.452 1.00 24.11 H new ATOM 1344 N THR A 87 1.177 40.793 -19.634 1.00 22.25 N ATOM 1345 CA THR A 87 2.092 41.653 -18.894 1.00 30.24 C ATOM 1346 C THR A 87 3.310 42.013 -19.736 1.00 4.21 C ATOM 1347 O THR A 87 3.883 43.092 -19.586 1.00 4.21 O ATOM 1348 CB THR A 87 2.564 40.982 -17.590 1.00 33.50 C ATOM 1349 OG1 THR A 87 3.041 39.660 -17.865 1.00 21.35 O ATOM 1350 CG2 THR A 87 1.433 40.917 -16.575 1.00 33.04 C ATOM 0 H THR A 87 1.148 39.828 -19.306 1.00 22.25 H new ATOM 0 HA THR A 87 1.542 42.561 -18.648 1.00 30.24 H new ATOM 0 HB THR A 87 3.373 41.580 -17.171 1.00 33.50 H new ATOM 0 HG1 THR A 87 3.025 39.501 -18.832 1.00 21.35 H new ATOM 0 HG21 THR A 87 1.790 40.439 -15.663 1.00 33.04 H new ATOM 0 HG22 THR A 87 1.091 41.926 -16.346 1.00 33.04 H new ATOM 0 HG23 THR A 87 0.606 40.339 -16.988 1.00 33.04 H new ATOM 1358 N SER A 88 3.701 41.103 -20.623 1.00 0.43 N ATOM 1359 CA SER A 88 4.854 41.325 -21.488 1.00 21.35 C ATOM 1360 C SER A 88 4.656 42.567 -22.350 1.00 53.41 C ATOM 1361 O SER A 88 5.501 43.462 -22.374 1.00 40.11 O ATOM 1362 CB SER A 88 5.092 40.104 -22.379 1.00 15.13 C ATOM 1363 OG SER A 88 6.112 40.357 -23.329 1.00 0.12 O ATOM 0 H SER A 88 3.236 40.206 -20.761 1.00 0.43 H new ATOM 0 HA SER A 88 5.728 41.480 -20.855 1.00 21.35 H new ATOM 0 HB2 SER A 88 5.369 39.249 -21.763 1.00 15.13 H new ATOM 0 HB3 SER A 88 4.168 39.840 -22.894 1.00 15.13 H new ATOM 0 HG SER A 88 6.246 39.561 -23.885 1.00 0.12 H new ATOM 1369 N VAL A 89 3.532 42.616 -23.058 1.00 34.51 N ATOM 1370 CA VAL A 89 3.220 43.748 -23.922 1.00 12.04 C ATOM 1371 C VAL A 89 3.113 45.039 -23.118 1.00 11.11 C ATOM 1372 O VAL A 89 3.508 46.108 -23.585 1.00 72.14 O ATOM 1373 CB VAL A 89 1.903 43.523 -24.689 1.00 2.34 C ATOM 1374 CG1 VAL A 89 1.618 44.696 -25.615 1.00 32.51 C ATOM 1375 CG2 VAL A 89 1.957 42.218 -25.468 1.00 44.12 C ATOM 0 H VAL A 89 2.822 41.884 -23.050 1.00 34.51 H new ATOM 0 HA VAL A 89 4.038 43.835 -24.637 1.00 12.04 H new ATOM 0 HB VAL A 89 1.089 43.455 -23.967 1.00 2.34 H new ATOM 0 HG11 VAL A 89 0.684 44.520 -26.149 1.00 32.51 H new ATOM 0 HG12 VAL A 89 1.534 45.611 -25.028 1.00 32.51 H new ATOM 0 HG13 VAL A 89 2.432 44.799 -26.333 1.00 32.51 H new ATOM 0 HG21 VAL A 89 1.019 42.075 -26.004 1.00 44.12 H new ATOM 0 HG22 VAL A 89 2.780 42.254 -26.181 1.00 44.12 H new ATOM 0 HG23 VAL A 89 2.111 41.388 -24.778 1.00 44.12 H new ATOM 1385 N CYS A 90 2.577 44.933 -21.907 1.00 24.30 N ATOM 1386 CA CYS A 90 2.418 46.093 -21.037 1.00 20.41 C ATOM 1387 C CYS A 90 3.742 46.831 -20.867 1.00 31.43 C ATOM 1388 O CYS A 90 3.806 48.052 -21.007 1.00 4.02 O ATOM 1389 CB CYS A 90 1.881 45.662 -19.671 1.00 62.32 C ATOM 1390 SG CYS A 90 0.785 46.871 -18.894 1.00 12.31 S ATOM 0 H CYS A 90 2.245 44.056 -21.505 1.00 24.30 H new ATOM 0 HA CYS A 90 1.703 46.771 -21.503 1.00 20.41 H new ATOM 0 HB2 CYS A 90 1.344 44.721 -19.784 1.00 62.32 H new ATOM 0 HB3 CYS A 90 2.723 45.470 -19.006 1.00 62.32 H new ATOM 0 HG CYS A 90 0.381 46.415 -17.745 1.00 12.31 H new ATOM 1396 N VAL A 91 4.796 46.081 -20.562 1.00 45.01 N ATOM 1397 CA VAL A 91 6.119 46.664 -20.372 1.00 24.21 C ATOM 1398 C VAL A 91 6.694 47.165 -21.692 1.00 62.31 C ATOM 1399 O VAL A 91 7.511 48.087 -21.716 1.00 72.54 O ATOM 1400 CB VAL A 91 7.097 45.647 -19.752 1.00 14.42 C ATOM 1401 CG1 VAL A 91 8.481 46.260 -19.604 1.00 22.52 C ATOM 1402 CG2 VAL A 91 6.575 45.158 -18.409 1.00 73.14 C ATOM 0 H VAL A 91 4.760 45.069 -20.441 1.00 45.01 H new ATOM 0 HA VAL A 91 5.999 47.505 -19.689 1.00 24.21 H new ATOM 0 HB VAL A 91 7.175 44.789 -20.420 1.00 14.42 H new ATOM 0 HG11 VAL A 91 9.158 45.528 -19.165 1.00 22.52 H new ATOM 0 HG12 VAL A 91 8.854 46.557 -20.584 1.00 22.52 H new ATOM 0 HG13 VAL A 91 8.424 47.135 -18.957 1.00 22.52 H new ATOM 0 HG21 VAL A 91 7.278 44.441 -17.985 1.00 73.14 H new ATOM 0 HG22 VAL A 91 6.467 46.004 -17.731 1.00 73.14 H new ATOM 0 HG23 VAL A 91 5.606 44.678 -18.548 1.00 73.14 H new ATOM 1412 N LEU A 92 6.263 46.552 -22.789 1.00 54.30 N ATOM 1413 CA LEU A 92 6.734 46.936 -24.115 1.00 55.32 C ATOM 1414 C LEU A 92 6.516 48.426 -24.360 1.00 75.13 C ATOM 1415 O LEU A 92 7.468 49.177 -24.566 1.00 71.12 O ATOM 1416 CB LEU A 92 6.013 46.120 -25.190 1.00 2.21 C ATOM 1417 CG LEU A 92 6.821 45.809 -26.450 1.00 71.04 C ATOM 1418 CD1 LEU A 92 7.587 44.506 -26.285 1.00 70.33 C ATOM 1419 CD2 LEU A 92 5.908 45.743 -27.666 1.00 71.21 C ATOM 0 H LEU A 92 5.588 45.787 -22.786 1.00 54.30 H new ATOM 0 HA LEU A 92 7.803 46.731 -24.167 1.00 55.32 H new ATOM 0 HB2 LEU A 92 5.691 45.178 -24.747 1.00 2.21 H new ATOM 0 HB3 LEU A 92 5.112 46.659 -25.484 1.00 2.21 H new ATOM 0 HG LEU A 92 7.541 46.613 -26.604 1.00 71.04 H new ATOM 0 HD11 LEU A 92 8.156 44.301 -27.192 1.00 70.33 H new ATOM 0 HD12 LEU A 92 8.270 44.590 -25.439 1.00 70.33 H new ATOM 0 HD13 LEU A 92 6.885 43.692 -26.105 1.00 70.33 H new ATOM 0 HD21 LEU A 92 6.500 45.521 -28.554 1.00 71.21 H new ATOM 0 HD22 LEU A 92 5.164 44.960 -27.520 1.00 71.21 H new ATOM 0 HD23 LEU A 92 5.405 46.701 -27.796 1.00 71.21 H new ATOM 1632 N GLY A 108 0.548 49.126 -7.632 1.00 12.14 N ATOM 1633 CA GLY A 108 0.289 47.835 -7.021 1.00 41.21 C ATOM 1634 C GLY A 108 -0.091 46.778 -8.039 1.00 15.42 C ATOM 1635 O GLY A 108 -0.119 45.588 -7.726 1.00 65.43 O ATOM 0 HA2 GLY A 108 1.176 47.509 -6.477 1.00 41.21 H new ATOM 0 HA3 GLY A 108 -0.513 47.937 -6.290 1.00 41.21 H new ATOM 1639 N ILE A 109 -0.388 47.214 -9.259 1.00 22.42 N ATOM 1640 CA ILE A 109 -0.769 46.296 -10.325 1.00 33.10 C ATOM 1641 C ILE A 109 0.241 45.162 -10.462 1.00 32.33 C ATOM 1642 O ILE A 109 -0.125 44.022 -10.750 1.00 53.21 O ATOM 1643 CB ILE A 109 -0.893 47.024 -11.677 1.00 32.34 C ATOM 1644 CG1 ILE A 109 -1.000 46.011 -12.818 1.00 74.52 C ATOM 1645 CG2 ILE A 109 0.296 47.948 -11.891 1.00 70.05 C ATOM 1646 CD1 ILE A 109 0.320 45.727 -13.500 1.00 74.50 C ATOM 0 H ILE A 109 -0.372 48.196 -9.533 1.00 22.42 H new ATOM 0 HA ILE A 109 -1.740 45.883 -10.053 1.00 33.10 H new ATOM 0 HB ILE A 109 -1.800 47.628 -11.667 1.00 32.34 H new ATOM 0 HG12 ILE A 109 -1.406 45.078 -12.428 1.00 74.52 H new ATOM 0 HG13 ILE A 109 -1.709 46.383 -13.558 1.00 74.52 H new ATOM 0 HG21 ILE A 109 0.194 48.455 -12.850 1.00 70.05 H new ATOM 0 HG22 ILE A 109 0.331 48.688 -11.091 1.00 70.05 H new ATOM 0 HG23 ILE A 109 1.216 47.364 -11.885 1.00 70.05 H new ATOM 0 HD11 ILE A 109 0.168 45.000 -14.298 1.00 74.50 H new ATOM 0 HD12 ILE A 109 0.718 46.650 -13.921 1.00 74.50 H new ATOM 0 HD13 ILE A 109 1.026 45.325 -12.773 1.00 74.50 H new ATOM 1658 N ASP A 110 1.513 45.481 -10.251 1.00 52.42 N ATOM 1659 CA ASP A 110 2.577 44.489 -10.348 1.00 33.31 C ATOM 1660 C ASP A 110 2.569 43.563 -9.135 1.00 55.41 C ATOM 1661 O ASP A 110 2.492 42.343 -9.274 1.00 20.50 O ATOM 1662 CB ASP A 110 3.937 45.178 -10.470 1.00 73.31 C ATOM 1663 CG ASP A 110 3.980 46.175 -11.611 1.00 10.20 C ATOM 1664 OD1 ASP A 110 3.762 45.762 -12.769 1.00 21.53 O ATOM 1665 OD2 ASP A 110 4.233 47.369 -11.346 1.00 54.42 O ATOM 0 H ASP A 110 1.833 46.420 -10.011 1.00 52.42 H new ATOM 0 HA ASP A 110 2.401 43.890 -11.241 1.00 33.31 H new ATOM 0 HB2 ASP A 110 4.167 45.690 -9.535 1.00 73.31 H new ATOM 0 HB3 ASP A 110 4.711 44.425 -10.620 1.00 73.31 H new ATOM 1670 N ARG A 111 2.649 44.153 -7.947 1.00 11.12 N ATOM 1671 CA ARG A 111 2.653 43.382 -6.710 1.00 22.52 C ATOM 1672 C ARG A 111 1.453 42.440 -6.652 1.00 4.42 C ATOM 1673 O ARG A 111 1.520 41.369 -6.048 1.00 71.22 O ATOM 1674 CB ARG A 111 2.640 44.318 -5.500 1.00 35.42 C ATOM 1675 CG ARG A 111 4.011 44.531 -4.880 1.00 13.52 C ATOM 1676 CD ARG A 111 4.879 45.431 -5.745 1.00 63.23 C ATOM 1677 NE ARG A 111 4.854 46.818 -5.291 1.00 11.43 N ATOM 1678 CZ ARG A 111 5.604 47.779 -5.819 1.00 61.23 C ATOM 1679 NH1 ARG A 111 6.434 47.503 -6.816 1.00 51.50 N ATOM 1680 NH2 ARG A 111 5.525 49.018 -5.351 1.00 73.22 N ATOM 0 H ARG A 111 2.712 45.162 -7.815 1.00 11.12 H new ATOM 0 HA ARG A 111 3.564 42.784 -6.687 1.00 22.52 H new ATOM 0 HB2 ARG A 111 2.233 45.283 -5.802 1.00 35.42 H new ATOM 0 HB3 ARG A 111 1.968 43.912 -4.744 1.00 35.42 H new ATOM 0 HG2 ARG A 111 3.899 44.973 -3.890 1.00 13.52 H new ATOM 0 HG3 ARG A 111 4.504 43.568 -4.745 1.00 13.52 H new ATOM 0 HD2 ARG A 111 5.905 45.064 -5.733 1.00 63.23 H new ATOM 0 HD3 ARG A 111 4.535 45.382 -6.778 1.00 63.23 H new ATOM 0 HE ARG A 111 4.226 47.063 -4.526 1.00 11.43 H new ATOM 0 HH11 ARG A 111 6.497 46.552 -7.179 1.00 51.50 H new ATOM 0 HH12 ARG A 111 7.009 48.242 -7.220 1.00 51.50 H new ATOM 0 HH21 ARG A 111 4.888 49.234 -4.585 1.00 73.22 H new ATOM 0 HH22 ARG A 111 6.102 49.755 -5.758 1.00 73.22 H new ATOM 1694 N LEU A 112 0.358 42.848 -7.282 1.00 54.04 N ATOM 1695 CA LEU A 112 -0.858 42.042 -7.303 1.00 30.32 C ATOM 1696 C LEU A 112 -0.669 40.793 -8.157 1.00 64.45 C ATOM 1697 O LEU A 112 -1.099 39.701 -7.784 1.00 54.24 O ATOM 1698 CB LEU A 112 -2.031 42.866 -7.837 1.00 31.35 C ATOM 1699 CG LEU A 112 -2.736 43.766 -6.821 1.00 60.12 C ATOM 1700 CD1 LEU A 112 -3.612 44.787 -7.531 1.00 31.35 C ATOM 1701 CD2 LEU A 112 -3.562 42.932 -5.853 1.00 14.43 C ATOM 0 H LEU A 112 0.286 43.732 -7.785 1.00 54.04 H new ATOM 0 HA LEU A 112 -1.076 41.731 -6.281 1.00 30.32 H new ATOM 0 HB2 LEU A 112 -1.669 43.489 -8.655 1.00 31.35 H new ATOM 0 HB3 LEU A 112 -2.767 42.182 -8.259 1.00 31.35 H new ATOM 0 HG LEU A 112 -1.978 44.302 -6.251 1.00 60.12 H new ATOM 0 HD11 LEU A 112 -4.106 45.419 -6.793 1.00 31.35 H new ATOM 0 HD12 LEU A 112 -2.995 45.405 -8.183 1.00 31.35 H new ATOM 0 HD13 LEU A 112 -4.364 44.270 -8.127 1.00 31.35 H new ATOM 0 HD21 LEU A 112 -4.057 43.589 -5.137 1.00 14.43 H new ATOM 0 HD22 LEU A 112 -4.313 42.368 -6.407 1.00 14.43 H new ATOM 0 HD23 LEU A 112 -2.909 42.240 -5.320 1.00 14.43 H new ATOM 1713 N PHE A 113 -0.020 40.960 -9.305 1.00 24.10 N ATOM 1714 CA PHE A 113 0.228 39.846 -10.212 1.00 64.34 C ATOM 1715 C PHE A 113 1.342 38.948 -9.680 1.00 51.33 C ATOM 1716 O PHE A 113 1.422 37.768 -10.025 1.00 3.41 O ATOM 1717 CB PHE A 113 0.598 40.366 -11.603 1.00 71.53 C ATOM 1718 CG PHE A 113 0.766 39.277 -12.625 1.00 4.33 C ATOM 1719 CD1 PHE A 113 -0.250 38.365 -12.858 1.00 23.40 C ATOM 1720 CD2 PHE A 113 1.941 39.167 -13.352 1.00 55.41 C ATOM 1721 CE1 PHE A 113 -0.097 37.362 -13.797 1.00 22.12 C ATOM 1722 CE2 PHE A 113 2.099 38.167 -14.293 1.00 20.04 C ATOM 1723 CZ PHE A 113 1.078 37.264 -14.516 1.00 25.32 C ATOM 0 H PHE A 113 0.344 41.856 -9.629 1.00 24.10 H new ATOM 0 HA PHE A 113 -0.687 39.257 -10.282 1.00 64.34 H new ATOM 0 HB2 PHE A 113 -0.175 41.055 -11.942 1.00 71.53 H new ATOM 0 HB3 PHE A 113 1.525 40.935 -11.535 1.00 71.53 H new ATOM 0 HD1 PHE A 113 -1.172 38.438 -12.300 1.00 23.40 H new ATOM 0 HD2 PHE A 113 2.742 39.871 -13.181 1.00 55.41 H new ATOM 0 HE1 PHE A 113 -0.896 36.656 -13.968 1.00 22.12 H new ATOM 0 HE2 PHE A 113 3.019 38.092 -14.853 1.00 20.04 H new ATOM 0 HZ PHE A 113 1.198 36.482 -15.252 1.00 25.32 H new ATOM 1733 N LEU A 114 2.199 39.516 -8.839 1.00 63.50 N ATOM 1734 CA LEU A 114 3.310 38.768 -8.258 1.00 54.25 C ATOM 1735 C LEU A 114 2.832 37.894 -7.103 1.00 64.45 C ATOM 1736 O LEU A 114 3.229 36.734 -6.985 1.00 50.31 O ATOM 1737 CB LEU A 114 4.397 39.728 -7.771 1.00 74.23 C ATOM 1738 CG LEU A 114 5.712 39.703 -8.551 1.00 10.43 C ATOM 1739 CD1 LEU A 114 5.607 40.562 -9.801 1.00 45.52 C ATOM 1740 CD2 LEU A 114 6.861 40.175 -7.672 1.00 24.20 C ATOM 0 H LEU A 114 2.147 40.491 -8.544 1.00 63.50 H new ATOM 0 HA LEU A 114 3.725 38.121 -9.031 1.00 54.25 H new ATOM 0 HB2 LEU A 114 3.999 40.742 -7.802 1.00 74.23 H new ATOM 0 HB3 LEU A 114 4.613 39.502 -6.727 1.00 74.23 H new ATOM 0 HG LEU A 114 5.912 38.676 -8.857 1.00 10.43 H new ATOM 0 HD11 LEU A 114 6.552 40.532 -10.343 1.00 45.52 H new ATOM 0 HD12 LEU A 114 4.810 40.180 -10.439 1.00 45.52 H new ATOM 0 HD13 LEU A 114 5.383 41.591 -9.518 1.00 45.52 H new ATOM 0 HD21 LEU A 114 7.789 40.151 -8.243 1.00 24.20 H new ATOM 0 HD22 LEU A 114 6.668 41.194 -7.336 1.00 24.20 H new ATOM 0 HD23 LEU A 114 6.950 39.519 -6.806 1.00 24.20 H new ATOM 1752 N TRP A 115 1.978 38.456 -6.256 1.00 44.23 N ATOM 1753 CA TRP A 115 1.445 37.726 -5.112 1.00 1.45 C ATOM 1754 C TRP A 115 0.676 36.490 -5.564 1.00 42.13 C ATOM 1755 O TRP A 115 0.917 35.385 -5.076 1.00 53.43 O ATOM 1756 CB TRP A 115 0.535 38.633 -4.282 1.00 14.02 C ATOM 1757 CG TRP A 115 0.523 38.289 -2.823 1.00 71.42 C ATOM 1758 CD1 TRP A 115 0.658 37.046 -2.274 1.00 34.45 C ATOM 1759 CD2 TRP A 115 0.366 39.199 -1.729 1.00 22.50 C ATOM 1760 NE1 TRP A 115 0.594 37.128 -0.903 1.00 50.24 N ATOM 1761 CE2 TRP A 115 0.417 38.438 -0.544 1.00 55.13 C ATOM 1762 CE3 TRP A 115 0.190 40.582 -1.634 1.00 64.44 C ATOM 1763 CZ2 TRP A 115 0.296 39.016 0.717 1.00 51.14 C ATOM 1764 CZ3 TRP A 115 0.071 41.154 -0.382 1.00 74.33 C ATOM 1765 CH2 TRP A 115 0.125 40.372 0.780 1.00 55.34 C ATOM 0 H TRP A 115 1.640 39.415 -6.340 1.00 44.23 H new ATOM 0 HA TRP A 115 2.284 37.403 -4.496 1.00 1.45 H new ATOM 0 HB2 TRP A 115 0.858 39.667 -4.401 1.00 14.02 H new ATOM 0 HB3 TRP A 115 -0.481 38.570 -4.671 1.00 14.02 H new ATOM 0 HD1 TRP A 115 0.795 36.133 -2.834 1.00 34.45 H new ATOM 0 HE1 TRP A 115 0.667 36.341 -0.258 1.00 50.24 H new ATOM 0 HE3 TRP A 115 0.148 41.193 -2.524 1.00 64.44 H new ATOM 0 HZ2 TRP A 115 0.336 38.415 1.614 1.00 51.14 H new ATOM 0 HZ3 TRP A 115 -0.066 42.222 -0.297 1.00 74.33 H new ATOM 0 HH2 TRP A 115 0.030 40.849 1.744 1.00 55.34 H new ATOM 1776 N ILE A 116 -0.248 36.683 -6.499 1.00 13.01 N ATOM 1777 CA ILE A 116 -1.051 35.582 -7.017 1.00 41.35 C ATOM 1778 C ILE A 116 -0.179 34.554 -7.731 1.00 1.54 C ATOM 1779 O ILE A 116 -0.481 33.361 -7.730 1.00 22.12 O ATOM 1780 CB ILE A 116 -2.133 36.085 -7.991 1.00 72.32 C ATOM 1781 CG1 ILE A 116 -1.486 36.749 -9.208 1.00 54.23 C ATOM 1782 CG2 ILE A 116 -3.070 37.055 -7.287 1.00 73.40 C ATOM 1783 CD1 ILE A 116 -1.402 35.844 -10.417 1.00 52.13 C ATOM 0 H ILE A 116 -0.459 37.591 -6.913 1.00 13.01 H new ATOM 0 HA ILE A 116 -1.534 35.113 -6.160 1.00 41.35 H new ATOM 0 HB ILE A 116 -2.717 35.231 -8.334 1.00 72.32 H new ATOM 0 HG12 ILE A 116 -2.055 37.641 -9.471 1.00 54.23 H new ATOM 0 HG13 ILE A 116 -0.482 37.079 -8.941 1.00 54.23 H new ATOM 0 HG21 ILE A 116 -3.829 37.402 -7.988 1.00 73.40 H new ATOM 0 HG22 ILE A 116 -3.553 36.551 -6.449 1.00 73.40 H new ATOM 0 HG23 ILE A 116 -2.500 37.908 -6.918 1.00 73.40 H new ATOM 0 HD11 ILE A 116 -0.933 36.381 -11.241 1.00 52.13 H new ATOM 0 HD12 ILE A 116 -0.808 34.964 -10.172 1.00 52.13 H new ATOM 0 HD13 ILE A 116 -2.405 35.534 -10.710 1.00 52.13 H new ATOM 1795 N PHE A 117 0.905 35.026 -8.337 1.00 64.34 N ATOM 1796 CA PHE A 117 1.823 34.148 -9.054 1.00 72.51 C ATOM 1797 C PHE A 117 2.287 33.000 -8.161 1.00 53.42 C ATOM 1798 O PHE A 117 2.214 31.832 -8.544 1.00 14.44 O ATOM 1799 CB PHE A 117 3.032 34.939 -9.556 1.00 62.03 C ATOM 1800 CG PHE A 117 3.431 34.596 -10.963 1.00 72.12 C ATOM 1801 CD1 PHE A 117 3.389 33.285 -11.409 1.00 60.30 C ATOM 1802 CD2 PHE A 117 3.848 35.585 -11.840 1.00 31.42 C ATOM 1803 CE1 PHE A 117 3.755 32.966 -12.703 1.00 71.52 C ATOM 1804 CE2 PHE A 117 4.214 35.272 -13.135 1.00 65.41 C ATOM 1805 CZ PHE A 117 4.169 33.960 -13.567 1.00 1.31 C ATOM 0 H PHE A 117 1.170 36.011 -8.346 1.00 64.34 H new ATOM 0 HA PHE A 117 1.292 33.729 -9.909 1.00 72.51 H new ATOM 0 HB2 PHE A 117 2.808 36.004 -9.500 1.00 62.03 H new ATOM 0 HB3 PHE A 117 3.877 34.756 -8.892 1.00 62.03 H new ATOM 0 HD1 PHE A 117 3.066 32.503 -10.738 1.00 60.30 H new ATOM 0 HD2 PHE A 117 3.887 36.612 -11.507 1.00 31.42 H new ATOM 0 HE1 PHE A 117 3.717 31.940 -13.038 1.00 71.52 H new ATOM 0 HE2 PHE A 117 4.535 36.052 -13.809 1.00 65.41 H new ATOM 0 HZ PHE A 117 4.457 33.713 -14.578 1.00 1.31 H new ATOM 1815 N VAL A 118 2.765 33.342 -6.969 1.00 40.41 N ATOM 1816 CA VAL A 118 3.241 32.342 -6.021 1.00 11.43 C ATOM 1817 C VAL A 118 2.096 31.466 -5.526 1.00 20.32 C ATOM 1818 O VAL A 118 2.267 30.265 -5.311 1.00 51.44 O ATOM 1819 CB VAL A 118 3.930 33.000 -4.810 1.00 53.01 C ATOM 1820 CG1 VAL A 118 4.058 32.008 -3.665 1.00 24.44 C ATOM 1821 CG2 VAL A 118 5.292 33.549 -5.206 1.00 51.22 C ATOM 0 H VAL A 118 2.833 34.304 -6.637 1.00 40.41 H new ATOM 0 HA VAL A 118 3.966 31.723 -6.550 1.00 11.43 H new ATOM 0 HB VAL A 118 3.313 33.832 -4.470 1.00 53.01 H new ATOM 0 HG11 VAL A 118 4.547 32.490 -2.819 1.00 24.44 H new ATOM 0 HG12 VAL A 118 3.067 31.668 -3.366 1.00 24.44 H new ATOM 0 HG13 VAL A 118 4.652 31.154 -3.989 1.00 24.44 H new ATOM 0 HG21 VAL A 118 5.765 34.010 -4.339 1.00 51.22 H new ATOM 0 HG22 VAL A 118 5.920 32.736 -5.572 1.00 51.22 H new ATOM 0 HG23 VAL A 118 5.169 34.295 -5.992 1.00 51.22 H new ATOM 1831 N PHE A 119 0.928 32.073 -5.347 1.00 12.24 N ATOM 1832 CA PHE A 119 -0.247 31.348 -4.876 1.00 43.02 C ATOM 1833 C PHE A 119 -0.538 30.146 -5.770 1.00 41.11 C ATOM 1834 O PHE A 119 -0.600 29.010 -5.301 1.00 20.31 O ATOM 1835 CB PHE A 119 -1.463 32.275 -4.837 1.00 51.41 C ATOM 1836 CG PHE A 119 -1.854 32.693 -3.448 1.00 50.14 C ATOM 1837 CD1 PHE A 119 -2.112 31.744 -2.472 1.00 41.50 C ATOM 1838 CD2 PHE A 119 -1.964 34.035 -3.119 1.00 71.44 C ATOM 1839 CE1 PHE A 119 -2.472 32.125 -1.193 1.00 5.51 C ATOM 1840 CE2 PHE A 119 -2.323 34.422 -1.842 1.00 61.50 C ATOM 1841 CZ PHE A 119 -2.578 33.466 -0.878 1.00 31.10 C ATOM 0 H PHE A 119 0.769 33.065 -5.521 1.00 12.24 H new ATOM 0 HA PHE A 119 -0.041 30.988 -3.868 1.00 43.02 H new ATOM 0 HB2 PHE A 119 -1.251 33.165 -5.429 1.00 51.41 H new ATOM 0 HB3 PHE A 119 -2.308 31.773 -5.308 1.00 51.41 H new ATOM 0 HD1 PHE A 119 -2.031 30.694 -2.713 1.00 41.50 H new ATOM 0 HD2 PHE A 119 -1.767 34.787 -3.869 1.00 71.44 H new ATOM 0 HE1 PHE A 119 -2.670 31.376 -0.441 1.00 5.51 H new ATOM 0 HE2 PHE A 119 -2.404 35.471 -1.598 1.00 61.50 H new ATOM 0 HZ PHE A 119 -2.860 33.766 0.120 1.00 31.10 H new ATOM 1851 N VAL A 120 -0.716 30.406 -7.061 1.00 55.15 N ATOM 1852 CA VAL A 120 -1.001 29.347 -8.022 1.00 63.03 C ATOM 1853 C VAL A 120 0.184 28.397 -8.160 1.00 11.31 C ATOM 1854 O VAL A 120 0.012 27.210 -8.440 1.00 12.33 O ATOM 1855 CB VAL A 120 -1.346 29.924 -9.408 1.00 44.11 C ATOM 1856 CG1 VAL A 120 -0.194 30.765 -9.938 1.00 71.33 C ATOM 1857 CG2 VAL A 120 -1.691 28.806 -10.379 1.00 75.35 C ATOM 0 H VAL A 120 -0.668 31.341 -7.466 1.00 55.15 H new ATOM 0 HA VAL A 120 -1.862 28.797 -7.641 1.00 63.03 H new ATOM 0 HB VAL A 120 -2.219 30.569 -9.307 1.00 44.11 H new ATOM 0 HG11 VAL A 120 -0.456 31.164 -10.918 1.00 71.33 H new ATOM 0 HG12 VAL A 120 0.002 31.588 -9.251 1.00 71.33 H new ATOM 0 HG13 VAL A 120 0.699 30.146 -10.025 1.00 71.33 H new ATOM 0 HG21 VAL A 120 -1.932 29.232 -11.353 1.00 75.35 H new ATOM 0 HG22 VAL A 120 -0.839 28.134 -10.478 1.00 75.35 H new ATOM 0 HG23 VAL A 120 -2.550 28.250 -10.003 1.00 75.35 H new ATOM 1867 N CYS A 121 1.386 28.927 -7.961 1.00 53.11 N ATOM 1868 CA CYS A 121 2.601 28.126 -8.063 1.00 53.44 C ATOM 1869 C CYS A 121 2.657 27.080 -6.955 1.00 42.11 C ATOM 1870 O CYS A 121 2.983 25.918 -7.199 1.00 42.45 O ATOM 1871 CB CYS A 121 3.836 29.026 -7.996 1.00 30.50 C ATOM 1872 SG CYS A 121 5.363 28.152 -7.578 1.00 11.01 S ATOM 0 H CYS A 121 1.545 29.907 -7.728 1.00 53.11 H new ATOM 0 HA CYS A 121 2.588 27.610 -9.023 1.00 53.44 H new ATOM 0 HB2 CYS A 121 3.965 29.521 -8.959 1.00 30.50 H new ATOM 0 HB3 CYS A 121 3.663 29.808 -7.256 1.00 30.50 H new ATOM 0 HG CYS A 121 6.351 28.996 -7.547 1.00 11.01 H new ATOM 1878 N VAL A 122 2.339 27.500 -5.735 1.00 11.42 N ATOM 1879 CA VAL A 122 2.354 26.600 -4.588 1.00 40.10 C ATOM 1880 C VAL A 122 1.296 25.511 -4.730 1.00 44.32 C ATOM 1881 O VAL A 122 1.526 24.357 -4.368 1.00 54.00 O ATOM 1882 CB VAL A 122 2.115 27.364 -3.272 1.00 23.42 C ATOM 1883 CG1 VAL A 122 1.650 26.413 -2.179 1.00 62.25 C ATOM 1884 CG2 VAL A 122 3.377 28.100 -2.847 1.00 53.24 C ATOM 0 H VAL A 122 2.068 28.458 -5.515 1.00 11.42 H new ATOM 0 HA VAL A 122 3.342 26.141 -4.559 1.00 40.10 H new ATOM 0 HB VAL A 122 1.329 28.101 -3.438 1.00 23.42 H new ATOM 0 HG11 VAL A 122 1.486 26.971 -1.257 1.00 62.25 H new ATOM 0 HG12 VAL A 122 0.719 25.935 -2.484 1.00 62.25 H new ATOM 0 HG13 VAL A 122 2.411 25.651 -2.012 1.00 62.25 H new ATOM 0 HG21 VAL A 122 3.190 28.634 -1.916 1.00 53.24 H new ATOM 0 HG22 VAL A 122 4.184 27.383 -2.698 1.00 53.24 H new ATOM 0 HG23 VAL A 122 3.662 28.811 -3.622 1.00 53.24 H new ATOM 1894 N PHE A 123 0.137 25.886 -5.260 1.00 71.04 N ATOM 1895 CA PHE A 123 -0.958 24.941 -5.450 1.00 44.35 C ATOM 1896 C PHE A 123 -0.584 23.876 -6.477 1.00 33.32 C ATOM 1897 O PHE A 123 -0.828 22.688 -6.271 1.00 21.50 O ATOM 1898 CB PHE A 123 -2.222 25.677 -5.899 1.00 71.21 C ATOM 1899 CG PHE A 123 -3.354 24.758 -6.259 1.00 33.20 C ATOM 1900 CD1 PHE A 123 -4.159 24.210 -5.273 1.00 55.13 C ATOM 1901 CD2 PHE A 123 -3.614 24.442 -7.583 1.00 2.01 C ATOM 1902 CE1 PHE A 123 -5.201 23.364 -5.602 1.00 34.42 C ATOM 1903 CE2 PHE A 123 -4.655 23.596 -7.917 1.00 43.45 C ATOM 1904 CZ PHE A 123 -5.450 23.057 -6.925 1.00 51.35 C ATOM 0 H PHE A 123 -0.069 26.837 -5.566 1.00 71.04 H new ATOM 0 HA PHE A 123 -1.151 24.450 -4.496 1.00 44.35 H new ATOM 0 HB2 PHE A 123 -2.547 26.345 -5.101 1.00 71.21 H new ATOM 0 HB3 PHE A 123 -1.983 26.301 -6.760 1.00 71.21 H new ATOM 0 HD1 PHE A 123 -3.970 24.447 -4.236 1.00 55.13 H new ATOM 0 HD2 PHE A 123 -2.996 24.862 -8.363 1.00 2.01 H new ATOM 0 HE1 PHE A 123 -5.821 22.943 -4.824 1.00 34.42 H new ATOM 0 HE2 PHE A 123 -4.846 23.357 -8.953 1.00 43.45 H new ATOM 0 HZ PHE A 123 -6.265 22.397 -7.183 1.00 51.35 H new ATOM 1914 N GLY A 124 0.009 24.311 -7.584 1.00 51.14 N ATOM 1915 CA GLY A 124 0.406 23.383 -8.627 1.00 52.12 C ATOM 1916 C GLY A 124 1.623 22.566 -8.243 1.00 62.33 C ATOM 1917 O GLY A 124 1.631 21.343 -8.389 1.00 65.13 O ATOM 0 H GLY A 124 0.222 25.290 -7.778 1.00 51.14 H new ATOM 0 HA2 GLY A 124 -0.424 22.712 -8.847 1.00 52.12 H new ATOM 0 HA3 GLY A 124 0.618 23.938 -9.541 1.00 52.12 H new ATOM 1921 N THR A 125 2.657 23.242 -7.752 1.00 21.33 N ATOM 1922 CA THR A 125 3.887 22.571 -7.349 1.00 13.15 C ATOM 1923 C THR A 125 3.599 21.436 -6.373 1.00 22.14 C ATOM 1924 O THR A 125 3.984 20.290 -6.608 1.00 40.22 O ATOM 1925 CB THR A 125 4.876 23.556 -6.696 1.00 74.43 C ATOM 1926 OG1 THR A 125 5.452 24.405 -7.695 1.00 31.21 O ATOM 1927 CG2 THR A 125 5.978 22.808 -5.961 1.00 70.04 C ATOM 0 H THR A 125 2.667 24.254 -7.624 1.00 21.33 H new ATOM 0 HA THR A 125 4.336 22.163 -8.254 1.00 13.15 H new ATOM 0 HB THR A 125 4.329 24.163 -5.975 1.00 74.43 H new ATOM 0 HG1 THR A 125 4.862 25.171 -7.853 1.00 31.21 H new ATOM 0 HG21 THR A 125 6.664 23.524 -5.508 1.00 70.04 H new ATOM 0 HG22 THR A 125 5.538 22.185 -5.183 1.00 70.04 H new ATOM 0 HG23 THR A 125 6.523 22.179 -6.665 1.00 70.04 H new ATOM 1935 N ILE A 126 2.921 21.761 -5.278 1.00 14.05 N ATOM 1936 CA ILE A 126 2.580 20.767 -4.267 1.00 43.11 C ATOM 1937 C ILE A 126 1.495 19.821 -4.770 1.00 43.11 C ATOM 1938 O ILE A 126 1.356 18.702 -4.278 1.00 70.15 O ATOM 1939 CB ILE A 126 2.102 21.431 -2.963 1.00 1.45 C ATOM 1940 CG1 ILE A 126 3.126 22.463 -2.484 1.00 64.44 C ATOM 1941 CG2 ILE A 126 1.861 20.380 -1.890 1.00 71.31 C ATOM 1942 CD1 ILE A 126 4.470 21.862 -2.134 1.00 13.13 C ATOM 0 H ILE A 126 2.597 22.705 -5.068 1.00 14.05 H new ATOM 0 HA ILE A 126 3.488 20.199 -4.064 1.00 43.11 H new ATOM 0 HB ILE A 126 1.161 21.945 -3.159 1.00 1.45 H new ATOM 0 HG12 ILE A 126 3.264 23.214 -3.262 1.00 64.44 H new ATOM 0 HG13 ILE A 126 2.729 22.979 -1.610 1.00 64.44 H new ATOM 0 HG21 ILE A 126 1.524 20.866 -0.974 1.00 71.31 H new ATOM 0 HG22 ILE A 126 1.099 19.680 -2.231 1.00 71.31 H new ATOM 0 HG23 ILE A 126 2.788 19.841 -1.694 1.00 71.31 H new ATOM 0 HD11 ILE A 126 5.146 22.650 -1.803 1.00 13.13 H new ATOM 0 HD12 ILE A 126 4.345 21.132 -1.335 1.00 13.13 H new ATOM 0 HD13 ILE A 126 4.889 21.371 -3.012 1.00 13.13 H new ATOM 1954 N GLY A 127 0.729 20.279 -5.756 1.00 32.34 N ATOM 1955 CA GLY A 127 -0.333 19.460 -6.311 1.00 13.14 C ATOM 1956 C GLY A 127 0.179 18.148 -6.870 1.00 74.33 C ATOM 1957 O GLY A 127 -0.451 17.104 -6.698 1.00 51.43 O ATOM 0 H GLY A 127 0.825 21.202 -6.180 1.00 32.34 H new ATOM 0 HA2 GLY A 127 -1.073 19.257 -5.537 1.00 13.14 H new ATOM 0 HA3 GLY A 127 -0.840 20.014 -7.100 1.00 13.14 H new ATOM 1961 N MET A 128 1.323 18.200 -7.543 1.00 63.45 N ATOM 1962 CA MET A 128 1.919 17.005 -8.131 1.00 33.01 C ATOM 1963 C MET A 128 2.762 16.256 -7.103 1.00 54.25 C ATOM 1964 O MET A 128 2.880 15.032 -7.157 1.00 20.14 O ATOM 1965 CB MET A 128 2.780 17.379 -9.339 1.00 13.52 C ATOM 1966 CG MET A 128 2.229 18.548 -10.139 1.00 15.50 C ATOM 1967 SD MET A 128 0.538 18.270 -10.701 1.00 20.21 S ATOM 1968 CE MET A 128 -0.248 19.791 -10.176 1.00 13.10 C ATOM 0 H MET A 128 1.856 19.056 -7.695 1.00 63.45 H new ATOM 0 HA MET A 128 1.111 16.351 -8.459 1.00 33.01 H new ATOM 0 HB2 MET A 128 3.785 17.625 -8.996 1.00 13.52 H new ATOM 0 HB3 MET A 128 2.870 16.512 -9.993 1.00 13.52 H new ATOM 0 HG2 MET A 128 2.261 19.449 -9.527 1.00 15.50 H new ATOM 0 HG3 MET A 128 2.870 18.727 -11.002 1.00 15.50 H new ATOM 0 HE1 MET A 128 -1.273 19.817 -10.546 1.00 13.10 H new ATOM 0 HE2 MET A 128 -0.254 19.841 -9.087 1.00 13.10 H new ATOM 0 HE3 MET A 128 0.304 20.642 -10.575 1.00 13.10 H new ATOM 1978 N PHE A 129 3.346 16.999 -6.169 1.00 52.33 N ATOM 1979 CA PHE A 129 4.179 16.405 -5.130 1.00 40.34 C ATOM 1980 C PHE A 129 3.321 15.727 -4.066 1.00 52.24 C ATOM 1981 O PHE A 129 3.821 14.951 -3.251 1.00 12.43 O ATOM 1982 CB PHE A 129 5.064 17.473 -4.484 1.00 14.32 C ATOM 1983 CG PHE A 129 6.518 17.101 -4.440 1.00 41.13 C ATOM 1984 CD1 PHE A 129 7.029 16.372 -3.379 1.00 32.13 C ATOM 1985 CD2 PHE A 129 7.375 17.481 -5.461 1.00 32.10 C ATOM 1986 CE1 PHE A 129 8.367 16.027 -3.336 1.00 13.33 C ATOM 1987 CE2 PHE A 129 8.713 17.139 -5.424 1.00 23.03 C ATOM 1988 CZ PHE A 129 9.210 16.412 -4.359 1.00 42.42 C ATOM 0 H PHE A 129 3.258 18.013 -6.110 1.00 52.33 H new ATOM 0 HA PHE A 129 4.813 15.650 -5.595 1.00 40.34 H new ATOM 0 HB2 PHE A 129 4.953 18.407 -5.035 1.00 14.32 H new ATOM 0 HB3 PHE A 129 4.714 17.658 -3.469 1.00 14.32 H new ATOM 0 HD1 PHE A 129 6.374 16.069 -2.575 1.00 32.13 H new ATOM 0 HD2 PHE A 129 6.992 18.051 -6.295 1.00 32.10 H new ATOM 0 HE1 PHE A 129 8.752 15.457 -2.503 1.00 13.33 H new ATOM 0 HE2 PHE A 129 9.370 17.440 -6.227 1.00 23.03 H new ATOM 0 HZ PHE A 129 10.256 16.146 -4.327 1.00 42.42 H new ATOM 1998 N LEU A 130 2.026 16.026 -4.081 1.00 25.25 N ATOM 1999 CA LEU A 130 1.097 15.446 -3.117 1.00 0.20 C ATOM 2000 C LEU A 130 0.613 14.077 -3.583 1.00 25.41 C ATOM 2001 O LEU A 130 -0.024 13.343 -2.827 1.00 43.43 O ATOM 2002 CB LEU A 130 -0.098 16.378 -2.908 1.00 32.43 C ATOM 2003 CG LEU A 130 -1.148 15.906 -1.901 1.00 12.40 C ATOM 2004 CD1 LEU A 130 -1.446 17.002 -0.889 1.00 34.53 C ATOM 2005 CD2 LEU A 130 -2.421 15.479 -2.618 1.00 3.31 C ATOM 0 H LEU A 130 1.596 16.666 -4.749 1.00 25.25 H new ATOM 0 HA LEU A 130 1.624 15.322 -2.171 1.00 0.20 H new ATOM 0 HB2 LEU A 130 0.276 17.349 -2.584 1.00 32.43 H new ATOM 0 HB3 LEU A 130 -0.588 16.529 -3.870 1.00 32.43 H new ATOM 0 HG LEU A 130 -0.750 15.044 -1.366 1.00 12.40 H new ATOM 0 HD11 LEU A 130 -2.195 16.649 -0.180 1.00 34.53 H new ATOM 0 HD12 LEU A 130 -0.533 17.260 -0.353 1.00 34.53 H new ATOM 0 HD13 LEU A 130 -1.824 17.883 -1.408 1.00 34.53 H new ATOM 0 HD21 LEU A 130 -3.157 15.146 -1.886 1.00 3.31 H new ATOM 0 HD22 LEU A 130 -2.823 16.323 -3.179 1.00 3.31 H new ATOM 0 HD23 LEU A 130 -2.196 14.662 -3.303 1.00 3.31 H new