USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=27 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 11 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.0038) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.895 USER MOD Single : A 23 SER OG : rot -60:sc= 0.499 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0632 (180deg=-0.425) USER MOD Single : A 39 MET CE :methyl 163:sc= 0 (180deg=-0.031) USER MOD Single : A 40 THR OG1 : rot -23:sc= 0.957 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 86:sc= 0.581 USER MOD Single : A 50 THR OG1 : rot 70:sc= 0.803 USER MOD Single : A 69 SER OG : rot 31:sc=8.04e-05 USER MOD Single : A 75 MET CE :methyl 162:sc= -0.0155 (180deg=-0.214) USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.26 USER MOD Single : A 78 MET CE :methyl 169:sc= 0 (180deg=-0.135) USER MOD Single : A 82 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -82:sc= 0.542 USER MOD Single : A 88 SER OG : rot 86:sc= 0.124 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 86:sc= 0.613 USER MOD Single : A 125 THR OG1 : rot -85:sc= 1.19 USER MOD Single : A 128 MET CE :methyl -119:sc= 0 (180deg=-0.195) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 7.665 5.982 -7.993 1.00 22.32 N ATOM 56 CA GLU A 6 8.148 5.726 -9.345 1.00 35.41 C ATOM 57 C GLU A 6 7.372 6.554 -10.365 1.00 71.22 C ATOM 58 O GLU A 6 7.938 7.349 -11.116 1.00 14.02 O ATOM 59 CB GLU A 6 8.025 4.238 -9.681 1.00 22.24 C ATOM 60 CG GLU A 6 7.743 3.966 -11.149 1.00 2.23 C ATOM 61 CD GLU A 6 7.965 2.515 -11.527 1.00 24.43 C ATOM 62 OE1 GLU A 6 7.053 1.694 -11.296 1.00 12.41 O ATOM 63 OE2 GLU A 6 9.053 2.199 -12.054 1.00 11.41 O ATOM 0 HA GLU A 6 9.198 6.016 -9.390 1.00 35.41 H new ATOM 0 HB2 GLU A 6 8.948 3.733 -9.398 1.00 22.24 H new ATOM 0 HB3 GLU A 6 7.226 3.803 -9.080 1.00 22.24 H new ATOM 0 HG2 GLU A 6 6.713 4.243 -11.374 1.00 2.23 H new ATOM 0 HG3 GLU A 6 8.385 4.599 -11.762 1.00 2.23 H new ATOM 70 N PRO A 7 6.044 6.364 -10.395 1.00 25.51 N ATOM 71 CA PRO A 7 5.162 7.083 -11.318 1.00 41.21 C ATOM 72 C PRO A 7 5.041 8.563 -10.969 1.00 72.34 C ATOM 73 O PRO A 7 4.944 9.414 -11.854 1.00 72.25 O ATOM 74 CB PRO A 7 3.814 6.380 -11.141 1.00 61.22 C ATOM 75 CG PRO A 7 3.865 5.802 -9.769 1.00 4.41 C ATOM 76 CD PRO A 7 5.303 5.432 -9.529 1.00 72.51 C ATOM 0 HA PRO A 7 5.538 7.062 -12.341 1.00 41.21 H new ATOM 0 HB2 PRO A 7 2.986 7.081 -11.245 1.00 61.22 H new ATOM 0 HB3 PRO A 7 3.671 5.604 -11.893 1.00 61.22 H new ATOM 0 HG2 PRO A 7 3.519 6.523 -9.029 1.00 4.41 H new ATOM 0 HG3 PRO A 7 3.219 4.928 -9.689 1.00 4.41 H new ATOM 0 HD2 PRO A 7 5.579 5.551 -8.481 1.00 72.51 H new ATOM 0 HD3 PRO A 7 5.500 4.393 -9.795 1.00 72.51 H new ATOM 84 N LEU A 8 5.047 8.863 -9.675 1.00 43.14 N ATOM 85 CA LEU A 8 4.939 10.241 -9.209 1.00 54.13 C ATOM 86 C LEU A 8 6.158 11.056 -9.629 1.00 30.31 C ATOM 87 O LEU A 8 6.134 12.286 -9.603 1.00 5.43 O ATOM 88 CB LEU A 8 4.787 10.275 -7.687 1.00 44.15 C ATOM 89 CG LEU A 8 3.729 11.233 -7.139 1.00 73.34 C ATOM 90 CD1 LEU A 8 2.474 10.471 -6.743 1.00 74.33 C ATOM 91 CD2 LEU A 8 4.278 12.013 -5.954 1.00 33.33 C ATOM 0 H LEU A 8 5.125 8.171 -8.930 1.00 43.14 H new ATOM 0 HA LEU A 8 4.055 10.685 -9.666 1.00 54.13 H new ATOM 0 HB2 LEU A 8 4.550 9.268 -7.343 1.00 44.15 H new ATOM 0 HB3 LEU A 8 5.750 10.542 -7.252 1.00 44.15 H new ATOM 0 HG LEU A 8 3.467 11.942 -7.924 1.00 73.34 H new ATOM 0 HD11 LEU A 8 1.732 11.169 -6.355 1.00 74.33 H new ATOM 0 HD12 LEU A 8 2.069 9.958 -7.616 1.00 74.33 H new ATOM 0 HD13 LEU A 8 2.720 9.739 -5.974 1.00 74.33 H new ATOM 0 HD21 LEU A 8 3.511 12.690 -5.577 1.00 33.33 H new ATOM 0 HD22 LEU A 8 4.569 11.319 -5.165 1.00 33.33 H new ATOM 0 HD23 LEU A 8 5.148 12.590 -6.269 1.00 33.33 H new ATOM 103 N PHE A 9 7.222 10.361 -10.018 1.00 31.02 N ATOM 104 CA PHE A 9 8.451 11.020 -10.445 1.00 31.33 C ATOM 105 C PHE A 9 8.187 11.952 -11.623 1.00 61.05 C ATOM 106 O PHE A 9 8.944 12.892 -11.867 1.00 11.21 O ATOM 107 CB PHE A 9 9.505 9.979 -10.829 1.00 3.54 C ATOM 108 CG PHE A 9 10.792 10.582 -11.315 1.00 62.14 C ATOM 109 CD1 PHE A 9 11.657 11.207 -10.432 1.00 44.42 C ATOM 110 CD2 PHE A 9 11.137 10.522 -12.656 1.00 41.10 C ATOM 111 CE1 PHE A 9 12.842 11.763 -10.878 1.00 13.22 C ATOM 112 CE2 PHE A 9 12.320 11.076 -13.107 1.00 64.24 C ATOM 113 CZ PHE A 9 13.174 11.696 -12.217 1.00 3.23 C ATOM 0 H PHE A 9 7.258 9.342 -10.046 1.00 31.02 H new ATOM 0 HA PHE A 9 8.824 11.615 -9.611 1.00 31.33 H new ATOM 0 HB2 PHE A 9 9.712 9.347 -9.965 1.00 3.54 H new ATOM 0 HB3 PHE A 9 9.099 9.332 -11.607 1.00 3.54 H new ATOM 0 HD1 PHE A 9 11.403 11.261 -9.384 1.00 44.42 H new ATOM 0 HD2 PHE A 9 10.474 10.037 -13.357 1.00 41.10 H new ATOM 0 HE1 PHE A 9 13.507 12.249 -10.180 1.00 13.22 H new ATOM 0 HE2 PHE A 9 12.576 11.024 -14.155 1.00 64.24 H new ATOM 0 HZ PHE A 9 14.100 12.128 -12.567 1.00 3.23 H new ATOM 123 N TYR A 10 7.109 11.684 -12.352 1.00 2.01 N ATOM 124 CA TYR A 10 6.746 12.496 -13.507 1.00 42.12 C ATOM 125 C TYR A 10 6.195 13.850 -13.070 1.00 71.20 C ATOM 126 O TYR A 10 6.752 14.897 -13.401 1.00 14.43 O ATOM 127 CB TYR A 10 5.713 11.765 -14.366 1.00 52.42 C ATOM 128 CG TYR A 10 4.889 12.687 -15.238 1.00 25.33 C ATOM 129 CD1 TYR A 10 5.404 13.198 -16.423 1.00 5.13 C ATOM 130 CD2 TYR A 10 3.597 13.047 -14.876 1.00 23.21 C ATOM 131 CE1 TYR A 10 4.656 14.041 -17.222 1.00 23.32 C ATOM 132 CE2 TYR A 10 2.841 13.888 -15.670 1.00 24.45 C ATOM 133 CZ TYR A 10 3.375 14.382 -16.841 1.00 42.13 C ATOM 134 OH TYR A 10 2.626 15.221 -17.634 1.00 11.11 O ATOM 0 H TYR A 10 6.471 10.911 -12.163 1.00 2.01 H new ATOM 0 HA TYR A 10 7.646 12.665 -14.098 1.00 42.12 H new ATOM 0 HB2 TYR A 10 6.226 11.042 -15.000 1.00 52.42 H new ATOM 0 HB3 TYR A 10 5.045 11.201 -13.715 1.00 52.42 H new ATOM 0 HD1 TYR A 10 6.406 12.932 -16.725 1.00 5.13 H new ATOM 0 HD2 TYR A 10 3.176 12.663 -13.958 1.00 23.21 H new ATOM 0 HE1 TYR A 10 5.072 14.431 -18.139 1.00 23.32 H new ATOM 0 HE2 TYR A 10 1.837 14.157 -15.375 1.00 24.45 H new ATOM 0 HH TYR A 10 1.747 15.360 -17.224 1.00 11.11 H new ATOM 144 N THR A 11 5.096 13.820 -12.323 1.00 14.52 N ATOM 145 CA THR A 11 4.467 15.043 -11.840 1.00 0.34 C ATOM 146 C THR A 11 5.425 15.846 -10.967 1.00 51.20 C ATOM 147 O THR A 11 5.451 17.076 -11.027 1.00 33.15 O ATOM 148 CB THR A 11 3.190 14.738 -11.034 1.00 41.10 C ATOM 149 OG1 THR A 11 2.642 15.951 -10.507 1.00 12.32 O ATOM 150 CG2 THR A 11 3.486 13.773 -9.896 1.00 71.21 C ATOM 0 H THR A 11 4.623 12.962 -12.039 1.00 14.52 H new ATOM 0 HA THR A 11 4.201 15.630 -12.719 1.00 0.34 H new ATOM 0 HB THR A 11 2.466 14.274 -11.704 1.00 41.10 H new ATOM 0 HG1 THR A 11 1.830 15.749 -9.997 1.00 12.32 H new ATOM 0 HG21 THR A 11 2.569 13.573 -9.341 1.00 71.21 H new ATOM 0 HG22 THR A 11 3.876 12.840 -10.302 1.00 71.21 H new ATOM 0 HG23 THR A 11 4.225 14.214 -9.228 1.00 71.21 H new ATOM 158 N ILE A 12 6.211 15.144 -10.158 1.00 61.23 N ATOM 159 CA ILE A 12 7.172 15.792 -9.275 1.00 1.40 C ATOM 160 C ILE A 12 8.250 16.518 -10.073 1.00 53.52 C ATOM 161 O ILE A 12 8.590 17.663 -9.777 1.00 65.21 O ATOM 162 CB ILE A 12 7.844 14.777 -8.332 1.00 2.22 C ATOM 163 CG1 ILE A 12 6.884 14.378 -7.209 1.00 63.02 C ATOM 164 CG2 ILE A 12 9.128 15.357 -7.757 1.00 52.41 C ATOM 165 CD1 ILE A 12 6.603 15.495 -6.229 1.00 12.20 C ATOM 0 H ILE A 12 6.201 14.126 -10.096 1.00 61.23 H new ATOM 0 HA ILE A 12 6.615 16.515 -8.680 1.00 1.40 H new ATOM 0 HB ILE A 12 8.096 13.884 -8.904 1.00 2.22 H new ATOM 0 HG12 ILE A 12 5.943 14.045 -7.647 1.00 63.02 H new ATOM 0 HG13 ILE A 12 7.302 13.529 -6.669 1.00 63.02 H new ATOM 0 HG21 ILE A 12 9.591 14.628 -7.093 1.00 52.41 H new ATOM 0 HG22 ILE A 12 9.815 15.596 -8.569 1.00 52.41 H new ATOM 0 HG23 ILE A 12 8.899 16.264 -7.197 1.00 52.41 H new ATOM 0 HD11 ILE A 12 5.915 15.141 -5.461 1.00 12.20 H new ATOM 0 HD12 ILE A 12 7.535 15.813 -5.763 1.00 12.20 H new ATOM 0 HD13 ILE A 12 6.155 16.337 -6.756 1.00 12.20 H new ATOM 177 N ASN A 13 8.781 15.845 -11.088 1.00 41.03 N ATOM 178 CA ASN A 13 9.820 16.427 -11.931 1.00 74.41 C ATOM 179 C ASN A 13 9.264 17.580 -12.761 1.00 61.44 C ATOM 180 O ASN A 13 10.018 18.353 -13.353 1.00 64.13 O ATOM 181 CB ASN A 13 10.414 15.360 -12.853 1.00 23.13 C ATOM 182 CG ASN A 13 11.727 15.798 -13.473 1.00 52.31 C ATOM 183 OD1 ASN A 13 11.828 15.960 -14.689 1.00 52.43 O ATOM 184 ND2 ASN A 13 12.740 15.992 -12.637 1.00 45.34 N ATOM 0 H ASN A 13 8.510 14.897 -11.347 1.00 41.03 H new ATOM 0 HA ASN A 13 10.605 16.815 -11.282 1.00 74.41 H new ATOM 0 HB2 ASN A 13 10.571 14.441 -12.288 1.00 23.13 H new ATOM 0 HB3 ASN A 13 9.701 15.129 -13.644 1.00 23.13 H new ATOM 0 HD21 ASN A 13 13.648 16.288 -12.996 1.00 45.34 H new ATOM 0 HD22 ASN A 13 12.610 15.846 -11.636 1.00 45.34 H new ATOM 191 N LEU A 14 7.941 17.689 -12.800 1.00 52.42 N ATOM 192 CA LEU A 14 7.283 18.749 -13.557 1.00 72.34 C ATOM 193 C LEU A 14 7.096 19.996 -12.699 1.00 73.23 C ATOM 194 O LEU A 14 6.998 21.109 -13.217 1.00 70.44 O ATOM 195 CB LEU A 14 5.928 18.265 -14.077 1.00 13.12 C ATOM 196 CG LEU A 14 5.551 18.715 -15.489 1.00 33.13 C ATOM 197 CD1 LEU A 14 4.207 18.129 -15.895 1.00 2.23 C ATOM 198 CD2 LEU A 14 5.520 20.234 -15.574 1.00 61.12 C ATOM 0 H LEU A 14 7.303 17.057 -12.317 1.00 52.42 H new ATOM 0 HA LEU A 14 7.920 19.006 -14.404 1.00 72.34 H new ATOM 0 HB2 LEU A 14 5.919 17.175 -14.050 1.00 13.12 H new ATOM 0 HB3 LEU A 14 5.154 18.607 -13.390 1.00 13.12 H new ATOM 0 HG LEU A 14 6.309 18.348 -16.181 1.00 33.13 H new ATOM 0 HD11 LEU A 14 3.955 18.460 -16.903 1.00 2.23 H new ATOM 0 HD12 LEU A 14 4.263 17.041 -15.874 1.00 2.23 H new ATOM 0 HD13 LEU A 14 3.438 18.466 -15.200 1.00 2.23 H new ATOM 0 HD21 LEU A 14 5.250 20.536 -16.586 1.00 61.12 H new ATOM 0 HD22 LEU A 14 4.784 20.623 -14.870 1.00 61.12 H new ATOM 0 HD23 LEU A 14 6.504 20.632 -15.327 1.00 61.12 H new ATOM 210 N ILE A 15 7.049 19.802 -11.386 1.00 11.14 N ATOM 211 CA ILE A 15 6.877 20.912 -10.456 1.00 61.31 C ATOM 212 C ILE A 15 8.189 21.658 -10.243 1.00 5.41 C ATOM 213 O ILE A 15 8.197 22.870 -10.023 1.00 21.14 O ATOM 214 CB ILE A 15 6.348 20.428 -9.093 1.00 72.52 C ATOM 215 CG1 ILE A 15 4.839 20.184 -9.165 1.00 60.51 C ATOM 216 CG2 ILE A 15 6.675 21.442 -8.007 1.00 73.24 C ATOM 217 CD1 ILE A 15 4.444 18.752 -8.878 1.00 62.34 C ATOM 0 H ILE A 15 7.128 18.887 -10.942 1.00 11.14 H new ATOM 0 HA ILE A 15 6.146 21.587 -10.901 1.00 61.31 H new ATOM 0 HB ILE A 15 6.838 19.487 -8.843 1.00 72.52 H new ATOM 0 HG12 ILE A 15 4.339 20.840 -8.453 1.00 60.51 H new ATOM 0 HG13 ILE A 15 4.482 20.459 -10.157 1.00 60.51 H new ATOM 0 HG21 ILE A 15 6.295 21.085 -7.050 1.00 73.24 H new ATOM 0 HG22 ILE A 15 7.755 21.571 -7.943 1.00 73.24 H new ATOM 0 HG23 ILE A 15 6.210 22.397 -8.249 1.00 73.24 H new ATOM 0 HD11 ILE A 15 3.361 18.653 -8.947 1.00 62.34 H new ATOM 0 HD12 ILE A 15 4.916 18.092 -9.606 1.00 62.34 H new ATOM 0 HD13 ILE A 15 4.771 18.479 -7.875 1.00 62.34 H new ATOM 229 N ILE A 16 9.297 20.928 -10.312 1.00 3.12 N ATOM 230 CA ILE A 16 10.616 21.522 -10.129 1.00 52.14 C ATOM 231 C ILE A 16 10.805 22.731 -11.040 1.00 21.50 C ATOM 232 O ILE A 16 11.079 23.843 -10.588 1.00 74.32 O ATOM 233 CB ILE A 16 11.736 20.503 -10.409 1.00 20.45 C ATOM 234 CG1 ILE A 16 12.094 19.742 -9.130 1.00 12.32 C ATOM 235 CG2 ILE A 16 12.962 21.204 -10.975 1.00 14.24 C ATOM 236 CD1 ILE A 16 12.493 18.304 -9.374 1.00 21.12 C ATOM 0 H ILE A 16 9.308 19.924 -10.493 1.00 3.12 H new ATOM 0 HA ILE A 16 10.677 21.840 -9.088 1.00 52.14 H new ATOM 0 HB ILE A 16 11.378 19.787 -11.148 1.00 20.45 H new ATOM 0 HG12 ILE A 16 12.912 20.257 -8.627 1.00 12.32 H new ATOM 0 HG13 ILE A 16 11.240 19.764 -8.453 1.00 12.32 H new ATOM 0 HG21 ILE A 16 13.744 20.470 -11.167 1.00 14.24 H new ATOM 0 HG22 ILE A 16 12.697 21.705 -11.906 1.00 14.24 H new ATOM 0 HG23 ILE A 16 13.324 21.940 -10.257 1.00 14.24 H new ATOM 0 HD11 ILE A 16 12.733 17.827 -8.424 1.00 21.12 H new ATOM 0 HD12 ILE A 16 11.668 17.773 -9.849 1.00 21.12 H new ATOM 0 HD13 ILE A 16 13.366 18.274 -10.026 1.00 21.12 H new ATOM 248 N PRO A 17 10.655 22.510 -12.354 1.00 52.25 N ATOM 249 CA PRO A 17 10.802 23.570 -13.357 1.00 24.33 C ATOM 250 C PRO A 17 9.667 24.586 -13.298 1.00 31.24 C ATOM 251 O PRO A 17 9.879 25.781 -13.509 1.00 32.41 O ATOM 252 CB PRO A 17 10.770 22.809 -14.685 1.00 25.14 C ATOM 253 CG PRO A 17 10.008 21.564 -14.389 1.00 71.44 C ATOM 254 CD PRO A 17 10.329 21.210 -12.964 1.00 34.24 C ATOM 0 HA PRO A 17 11.711 24.151 -13.205 1.00 24.33 H new ATOM 0 HB2 PRO A 17 10.284 23.395 -15.465 1.00 25.14 H new ATOM 0 HB3 PRO A 17 11.777 22.583 -15.036 1.00 25.14 H new ATOM 0 HG2 PRO A 17 8.937 21.721 -14.520 1.00 71.44 H new ATOM 0 HG3 PRO A 17 10.297 20.760 -15.065 1.00 71.44 H new ATOM 0 HD2 PRO A 17 9.483 20.734 -12.468 1.00 34.24 H new ATOM 0 HD3 PRO A 17 11.167 20.516 -12.902 1.00 34.24 H new ATOM 262 N CYS A 18 8.463 24.104 -13.009 1.00 1.42 N ATOM 263 CA CYS A 18 7.293 24.972 -12.922 1.00 64.33 C ATOM 264 C CYS A 18 7.552 26.140 -11.977 1.00 50.51 C ATOM 265 O CYS A 18 7.392 27.302 -12.351 1.00 51.43 O ATOM 266 CB CYS A 18 6.077 24.176 -12.448 1.00 33.12 C ATOM 267 SG CYS A 18 4.686 24.194 -13.604 1.00 23.05 S ATOM 0 H CYS A 18 8.271 23.118 -12.831 1.00 1.42 H new ATOM 0 HA CYS A 18 7.092 25.371 -13.916 1.00 64.33 H new ATOM 0 HB2 CYS A 18 6.378 23.143 -12.274 1.00 33.12 H new ATOM 0 HB3 CYS A 18 5.745 24.577 -11.490 1.00 33.12 H new ATOM 0 HG CYS A 18 3.707 23.492 -13.116 1.00 23.05 H new ATOM 273 N VAL A 19 7.951 25.825 -10.749 1.00 63.32 N ATOM 274 CA VAL A 19 8.231 26.848 -9.749 1.00 44.45 C ATOM 275 C VAL A 19 9.580 27.511 -10.005 1.00 3.33 C ATOM 276 O VAL A 19 9.751 28.708 -9.767 1.00 64.24 O ATOM 277 CB VAL A 19 8.222 26.260 -8.326 1.00 1.20 C ATOM 278 CG1 VAL A 19 6.839 25.733 -7.975 1.00 21.00 C ATOM 279 CG2 VAL A 19 9.268 25.164 -8.196 1.00 64.42 C ATOM 0 H VAL A 19 8.088 24.868 -10.423 1.00 63.32 H new ATOM 0 HA VAL A 19 7.441 27.594 -9.830 1.00 44.45 H new ATOM 0 HB VAL A 19 8.472 27.054 -7.622 1.00 1.20 H new ATOM 0 HG11 VAL A 19 6.852 25.321 -6.966 1.00 21.00 H new ATOM 0 HG12 VAL A 19 6.116 26.547 -8.026 1.00 21.00 H new ATOM 0 HG13 VAL A 19 6.557 24.953 -8.682 1.00 21.00 H new ATOM 0 HG21 VAL A 19 9.248 24.760 -7.184 1.00 64.42 H new ATOM 0 HG22 VAL A 19 9.052 24.368 -8.909 1.00 64.42 H new ATOM 0 HG23 VAL A 19 10.255 25.577 -8.402 1.00 64.42 H new ATOM 289 N LEU A 20 10.536 26.727 -10.490 1.00 62.12 N ATOM 290 CA LEU A 20 11.872 27.238 -10.779 1.00 31.50 C ATOM 291 C LEU A 20 11.812 28.380 -11.788 1.00 73.21 C ATOM 292 O LEU A 20 12.470 29.406 -11.618 1.00 43.32 O ATOM 293 CB LEU A 20 12.764 26.116 -11.314 1.00 34.31 C ATOM 294 CG LEU A 20 14.189 26.516 -11.696 1.00 60.23 C ATOM 295 CD1 LEU A 20 14.991 26.884 -10.457 1.00 54.04 C ATOM 296 CD2 LEU A 20 14.872 25.391 -12.461 1.00 32.03 C ATOM 0 H LEU A 20 10.411 25.735 -10.692 1.00 62.12 H new ATOM 0 HA LEU A 20 12.296 27.620 -9.851 1.00 31.50 H new ATOM 0 HB2 LEU A 20 12.818 25.331 -10.560 1.00 34.31 H new ATOM 0 HB3 LEU A 20 12.282 25.683 -12.191 1.00 34.31 H new ATOM 0 HG LEU A 20 14.139 27.391 -12.344 1.00 60.23 H new ATOM 0 HD11 LEU A 20 16.003 27.166 -10.749 1.00 54.04 H new ATOM 0 HD12 LEU A 20 14.513 27.722 -9.950 1.00 54.04 H new ATOM 0 HD13 LEU A 20 15.033 26.028 -9.783 1.00 54.04 H new ATOM 0 HD21 LEU A 20 15.885 25.693 -12.725 1.00 32.03 H new ATOM 0 HD22 LEU A 20 14.911 24.498 -11.837 1.00 32.03 H new ATOM 0 HD23 LEU A 20 14.310 25.175 -13.369 1.00 32.03 H new ATOM 308 N ILE A 21 11.017 28.195 -12.837 1.00 33.25 N ATOM 309 CA ILE A 21 10.868 29.211 -13.871 1.00 3.12 C ATOM 310 C ILE A 21 10.169 30.452 -13.326 1.00 4.02 C ATOM 311 O ILE A 21 10.567 31.581 -13.617 1.00 35.22 O ATOM 312 CB ILE A 21 10.073 28.676 -15.076 1.00 62.32 C ATOM 313 CG1 ILE A 21 10.858 27.567 -15.780 1.00 74.52 C ATOM 314 CG2 ILE A 21 9.756 29.805 -16.045 1.00 62.24 C ATOM 315 CD1 ILE A 21 9.979 26.487 -16.371 1.00 73.43 C ATOM 0 H ILE A 21 10.466 27.351 -12.993 1.00 33.25 H new ATOM 0 HA ILE A 21 11.873 29.477 -14.198 1.00 3.12 H new ATOM 0 HB ILE A 21 9.133 28.258 -14.716 1.00 62.32 H new ATOM 0 HG12 ILE A 21 11.462 28.008 -16.573 1.00 74.52 H new ATOM 0 HG13 ILE A 21 11.548 27.114 -15.069 1.00 74.52 H new ATOM 0 HG21 ILE A 21 9.194 29.411 -16.892 1.00 62.24 H new ATOM 0 HG22 ILE A 21 9.162 30.565 -15.537 1.00 62.24 H new ATOM 0 HG23 ILE A 21 10.685 30.250 -16.402 1.00 62.24 H new ATOM 0 HD11 ILE A 21 10.602 25.734 -16.854 1.00 73.43 H new ATOM 0 HD12 ILE A 21 9.394 26.020 -15.579 1.00 73.43 H new ATOM 0 HD13 ILE A 21 9.306 26.928 -17.107 1.00 73.43 H new ATOM 327 N THR A 22 9.126 30.236 -12.531 1.00 32.21 N ATOM 328 CA THR A 22 8.371 31.336 -11.944 1.00 24.12 C ATOM 329 C THR A 22 9.294 32.312 -11.223 1.00 12.12 C ATOM 330 O THR A 22 9.286 33.511 -11.503 1.00 63.44 O ATOM 331 CB THR A 22 7.310 30.823 -10.953 1.00 13.14 C ATOM 332 OG1 THR A 22 6.513 29.806 -11.570 1.00 64.15 O ATOM 333 CG2 THR A 22 6.414 31.960 -10.483 1.00 23.43 C ATOM 0 H THR A 22 8.785 29.309 -12.279 1.00 32.21 H new ATOM 0 HA THR A 22 7.872 31.851 -12.765 1.00 24.12 H new ATOM 0 HB THR A 22 7.825 30.405 -10.088 1.00 13.14 H new ATOM 0 HG1 THR A 22 7.019 28.967 -11.601 1.00 64.15 H new ATOM 0 HG21 THR A 22 5.672 31.574 -9.784 1.00 23.43 H new ATOM 0 HG22 THR A 22 7.019 32.719 -9.987 1.00 23.43 H new ATOM 0 HG23 THR A 22 5.908 32.403 -11.341 1.00 23.43 H new ATOM 341 N SER A 23 10.088 31.792 -10.293 1.00 21.42 N ATOM 342 CA SER A 23 11.015 32.619 -9.529 1.00 31.41 C ATOM 343 C SER A 23 11.894 33.450 -10.458 1.00 52.04 C ATOM 344 O SER A 23 12.129 34.634 -10.215 1.00 3.32 O ATOM 345 CB SER A 23 11.889 31.744 -8.629 1.00 25.41 C ATOM 346 OG SER A 23 12.959 31.170 -9.360 1.00 24.34 O ATOM 0 H SER A 23 10.108 30.802 -10.050 1.00 21.42 H new ATOM 0 HA SER A 23 10.430 33.297 -8.907 1.00 31.41 H new ATOM 0 HB2 SER A 23 12.285 32.342 -7.808 1.00 25.41 H new ATOM 0 HB3 SER A 23 11.283 30.954 -8.185 1.00 25.41 H new ATOM 0 HG SER A 23 12.600 30.608 -10.078 1.00 24.34 H new ATOM 352 N LEU A 24 12.377 32.822 -11.525 1.00 35.44 N ATOM 353 CA LEU A 24 13.230 33.502 -12.492 1.00 61.14 C ATOM 354 C LEU A 24 12.492 34.666 -13.146 1.00 2.03 C ATOM 355 O LEU A 24 13.084 35.705 -13.435 1.00 3.33 O ATOM 356 CB LEU A 24 13.704 32.518 -13.564 1.00 5.33 C ATOM 357 CG LEU A 24 15.114 31.955 -13.381 1.00 4.50 C ATOM 358 CD1 LEU A 24 16.157 32.994 -13.762 1.00 45.50 C ATOM 359 CD2 LEU A 24 15.321 31.490 -11.947 1.00 3.41 C ATOM 0 H LEU A 24 12.192 31.843 -11.742 1.00 35.44 H new ATOM 0 HA LEU A 24 14.096 33.897 -11.961 1.00 61.14 H new ATOM 0 HB2 LEU A 24 13.003 31.684 -13.599 1.00 5.33 H new ATOM 0 HB3 LEU A 24 13.656 33.016 -14.533 1.00 5.33 H new ATOM 0 HG LEU A 24 15.229 31.095 -14.041 1.00 4.50 H new ATOM 0 HD11 LEU A 24 17.154 32.576 -13.625 1.00 45.50 H new ATOM 0 HD12 LEU A 24 16.023 33.279 -14.806 1.00 45.50 H new ATOM 0 HD13 LEU A 24 16.043 33.874 -13.128 1.00 45.50 H new ATOM 0 HD21 LEU A 24 16.330 31.092 -11.835 1.00 3.41 H new ATOM 0 HD22 LEU A 24 15.186 32.332 -11.268 1.00 3.41 H new ATOM 0 HD23 LEU A 24 14.596 30.712 -11.709 1.00 3.41 H new ATOM 371 N ALA A 25 11.195 34.485 -13.374 1.00 25.33 N ATOM 372 CA ALA A 25 10.376 35.521 -13.989 1.00 13.34 C ATOM 373 C ALA A 25 10.028 36.615 -12.984 1.00 25.31 C ATOM 374 O ALA A 25 9.849 37.776 -13.353 1.00 71.53 O ATOM 375 CB ALA A 25 9.108 34.915 -14.571 1.00 74.01 C ATOM 0 H ALA A 25 10.689 33.630 -13.142 1.00 25.33 H new ATOM 0 HA ALA A 25 10.953 35.974 -14.795 1.00 13.34 H new ATOM 0 HB1 ALA A 25 8.506 35.700 -15.027 1.00 74.01 H new ATOM 0 HB2 ALA A 25 9.372 34.175 -15.327 1.00 74.01 H new ATOM 0 HB3 ALA A 25 8.537 34.435 -13.777 1.00 74.01 H new ATOM 381 N ILE A 26 9.935 36.236 -11.714 1.00 12.43 N ATOM 382 CA ILE A 26 9.609 37.186 -10.656 1.00 63.45 C ATOM 383 C ILE A 26 10.816 38.048 -10.301 1.00 71.23 C ATOM 384 O ILE A 26 10.697 39.262 -10.132 1.00 12.04 O ATOM 385 CB ILE A 26 9.115 36.467 -9.387 1.00 74.13 C ATOM 386 CG1 ILE A 26 7.828 35.693 -9.682 1.00 20.11 C ATOM 387 CG2 ILE A 26 8.891 37.469 -8.264 1.00 62.34 C ATOM 388 CD1 ILE A 26 7.581 34.546 -8.727 1.00 70.24 C ATOM 0 H ILE A 26 10.080 35.279 -11.392 1.00 12.43 H new ATOM 0 HA ILE A 26 8.810 37.822 -11.038 1.00 63.45 H new ATOM 0 HB ILE A 26 9.879 35.758 -9.068 1.00 74.13 H new ATOM 0 HG12 ILE A 26 6.983 36.380 -9.639 1.00 20.11 H new ATOM 0 HG13 ILE A 26 7.872 35.305 -10.700 1.00 20.11 H new ATOM 0 HG21 ILE A 26 8.542 36.946 -7.374 1.00 62.34 H new ATOM 0 HG22 ILE A 26 9.827 37.980 -8.041 1.00 62.34 H new ATOM 0 HG23 ILE A 26 8.143 38.200 -8.572 1.00 62.34 H new ATOM 0 HD11 ILE A 26 6.652 34.042 -8.996 1.00 70.24 H new ATOM 0 HD12 ILE A 26 8.408 33.838 -8.787 1.00 70.24 H new ATOM 0 HD13 ILE A 26 7.505 34.930 -7.710 1.00 70.24 H new ATOM 400 N LEU A 27 11.978 37.413 -10.192 1.00 13.22 N ATOM 401 CA LEU A 27 13.208 38.122 -9.859 1.00 4.24 C ATOM 402 C LEU A 27 13.590 39.101 -10.965 1.00 33.41 C ATOM 403 O LEU A 27 14.169 40.155 -10.703 1.00 52.02 O ATOM 404 CB LEU A 27 14.347 37.127 -9.627 1.00 51.14 C ATOM 405 CG LEU A 27 14.214 36.228 -8.397 1.00 55.45 C ATOM 406 CD1 LEU A 27 15.246 35.113 -8.437 1.00 23.21 C ATOM 407 CD2 LEU A 27 14.357 37.046 -7.122 1.00 31.42 C ATOM 0 H LEU A 27 12.094 36.409 -10.329 1.00 13.22 H new ATOM 0 HA LEU A 27 13.035 38.687 -8.943 1.00 4.24 H new ATOM 0 HB2 LEU A 27 14.433 36.492 -10.509 1.00 51.14 H new ATOM 0 HB3 LEU A 27 15.279 37.686 -9.545 1.00 51.14 H new ATOM 0 HG LEU A 27 13.222 35.776 -8.405 1.00 55.45 H new ATOM 0 HD11 LEU A 27 15.136 34.484 -7.554 1.00 23.21 H new ATOM 0 HD12 LEU A 27 15.096 34.511 -9.333 1.00 23.21 H new ATOM 0 HD13 LEU A 27 16.247 35.544 -8.453 1.00 23.21 H new ATOM 0 HD21 LEU A 27 14.260 36.391 -6.256 1.00 31.42 H new ATOM 0 HD22 LEU A 27 15.335 37.526 -7.106 1.00 31.42 H new ATOM 0 HD23 LEU A 27 13.578 37.808 -7.089 1.00 31.42 H new ATOM 419 N VAL A 28 13.259 38.745 -12.202 1.00 61.03 N ATOM 420 CA VAL A 28 13.564 39.593 -13.349 1.00 32.14 C ATOM 421 C VAL A 28 12.723 40.865 -13.330 1.00 65.21 C ATOM 422 O VAL A 28 13.248 41.970 -13.466 1.00 1.32 O ATOM 423 CB VAL A 28 13.322 38.850 -14.676 1.00 51.11 C ATOM 424 CG1 VAL A 28 13.126 39.840 -15.814 1.00 55.20 C ATOM 425 CG2 VAL A 28 14.475 37.904 -14.975 1.00 1.14 C ATOM 0 H VAL A 28 12.780 37.875 -12.436 1.00 61.03 H new ATOM 0 HA VAL A 28 14.619 39.857 -13.277 1.00 32.14 H new ATOM 0 HB VAL A 28 12.412 38.258 -14.580 1.00 51.11 H new ATOM 0 HG11 VAL A 28 12.956 39.297 -16.744 1.00 55.20 H new ATOM 0 HG12 VAL A 28 12.265 40.473 -15.601 1.00 55.20 H new ATOM 0 HG13 VAL A 28 14.016 40.461 -15.914 1.00 55.20 H new ATOM 0 HG21 VAL A 28 14.287 37.387 -15.916 1.00 1.14 H new ATOM 0 HG22 VAL A 28 15.402 38.473 -15.052 1.00 1.14 H new ATOM 0 HG23 VAL A 28 14.564 37.173 -14.171 1.00 1.14 H new ATOM 435 N PHE A 29 11.416 40.701 -13.161 1.00 34.12 N ATOM 436 CA PHE A 29 10.501 41.836 -13.125 1.00 2.32 C ATOM 437 C PHE A 29 10.775 42.717 -11.909 1.00 20.30 C ATOM 438 O PHE A 29 10.397 43.888 -11.880 1.00 3.34 O ATOM 439 CB PHE A 29 9.051 41.350 -13.100 1.00 32.51 C ATOM 440 CG PHE A 29 8.498 41.041 -14.462 1.00 45.42 C ATOM 441 CD1 PHE A 29 9.153 40.159 -15.306 1.00 73.51 C ATOM 442 CD2 PHE A 29 7.325 41.635 -14.899 1.00 42.10 C ATOM 443 CE1 PHE A 29 8.647 39.872 -16.560 1.00 51.53 C ATOM 444 CE2 PHE A 29 6.814 41.353 -16.152 1.00 24.42 C ATOM 445 CZ PHE A 29 7.477 40.471 -16.984 1.00 13.21 C ATOM 0 H PHE A 29 10.966 39.793 -13.047 1.00 34.12 H new ATOM 0 HA PHE A 29 10.662 42.429 -14.025 1.00 2.32 H new ATOM 0 HB2 PHE A 29 8.987 40.456 -12.479 1.00 32.51 H new ATOM 0 HB3 PHE A 29 8.429 42.111 -12.628 1.00 32.51 H new ATOM 0 HD1 PHE A 29 10.070 39.690 -14.980 1.00 73.51 H new ATOM 0 HD2 PHE A 29 6.804 42.326 -14.253 1.00 42.10 H new ATOM 0 HE1 PHE A 29 9.166 39.180 -17.207 1.00 51.53 H new ATOM 0 HE2 PHE A 29 5.898 41.821 -16.480 1.00 24.42 H new ATOM 0 HZ PHE A 29 7.081 40.250 -17.964 1.00 13.21 H new ATOM 455 N TYR A 30 11.433 42.144 -10.908 1.00 25.13 N ATOM 456 CA TYR A 30 11.756 42.874 -9.688 1.00 14.44 C ATOM 457 C TYR A 30 12.949 43.800 -9.906 1.00 30.55 C ATOM 458 O TYR A 30 12.935 44.959 -9.491 1.00 54.42 O ATOM 459 CB TYR A 30 12.054 41.899 -8.548 1.00 33.12 C ATOM 460 CG TYR A 30 11.157 42.082 -7.344 1.00 71.33 C ATOM 461 CD1 TYR A 30 9.775 42.130 -7.484 1.00 62.20 C ATOM 462 CD2 TYR A 30 11.691 42.207 -6.068 1.00 12.22 C ATOM 463 CE1 TYR A 30 8.952 42.297 -6.387 1.00 53.35 C ATOM 464 CE2 TYR A 30 10.875 42.374 -4.965 1.00 60.55 C ATOM 465 CZ TYR A 30 9.506 42.418 -5.130 1.00 43.24 C ATOM 466 OH TYR A 30 8.690 42.585 -4.035 1.00 43.20 O ATOM 0 H TYR A 30 11.753 41.176 -10.917 1.00 25.13 H new ATOM 0 HA TYR A 30 10.892 43.482 -9.420 1.00 14.44 H new ATOM 0 HB2 TYR A 30 11.949 40.879 -8.917 1.00 33.12 H new ATOM 0 HB3 TYR A 30 13.092 42.021 -8.239 1.00 33.12 H new ATOM 0 HD1 TYR A 30 9.337 42.035 -8.467 1.00 62.20 H new ATOM 0 HD2 TYR A 30 12.762 42.173 -5.935 1.00 12.22 H new ATOM 0 HE1 TYR A 30 7.880 42.333 -6.513 1.00 53.35 H new ATOM 0 HE2 TYR A 30 11.307 42.469 -3.980 1.00 60.55 H new ATOM 0 HH TYR A 30 9.238 42.653 -3.226 1.00 43.20 H new ATOM 476 N LEU A 31 13.981 43.278 -10.559 1.00 43.43 N ATOM 477 CA LEU A 31 15.184 44.056 -10.834 1.00 43.34 C ATOM 478 C LEU A 31 15.070 44.781 -12.172 1.00 24.41 C ATOM 479 O LEU A 31 14.262 44.427 -13.031 1.00 22.34 O ATOM 480 CB LEU A 31 16.414 43.147 -10.837 1.00 61.43 C ATOM 481 CG LEU A 31 17.201 43.078 -9.528 1.00 62.21 C ATOM 482 CD1 LEU A 31 16.522 42.137 -8.546 1.00 34.34 C ATOM 483 CD2 LEU A 31 18.634 42.635 -9.790 1.00 15.55 C ATOM 0 H LEU A 31 14.009 42.320 -10.908 1.00 43.43 H new ATOM 0 HA LEU A 31 15.293 44.801 -10.046 1.00 43.34 H new ATOM 0 HB2 LEU A 31 16.095 42.138 -11.099 1.00 61.43 H new ATOM 0 HB3 LEU A 31 17.088 43.483 -11.625 1.00 61.43 H new ATOM 0 HG LEU A 31 17.224 44.075 -9.087 1.00 62.21 H new ATOM 0 HD11 LEU A 31 17.096 42.101 -7.620 1.00 34.34 H new ATOM 0 HD12 LEU A 31 15.515 42.497 -8.334 1.00 34.34 H new ATOM 0 HD13 LEU A 31 16.467 41.138 -8.978 1.00 34.34 H new ATOM 0 HD21 LEU A 31 19.179 42.591 -8.847 1.00 15.55 H new ATOM 0 HD22 LEU A 31 18.631 41.648 -10.253 1.00 15.55 H new ATOM 0 HD23 LEU A 31 19.119 43.348 -10.457 1.00 15.55 H new ATOM 495 N PRO A 32 15.900 45.818 -12.356 1.00 1.43 N ATOM 496 CA PRO A 32 15.914 46.612 -13.588 1.00 14.51 C ATOM 497 C PRO A 32 16.469 45.832 -14.774 1.00 41.13 C ATOM 498 O PRO A 32 17.306 44.945 -14.609 1.00 21.22 O ATOM 499 CB PRO A 32 16.833 47.787 -13.243 1.00 33.02 C ATOM 500 CG PRO A 32 17.721 47.269 -12.165 1.00 14.15 C ATOM 501 CD PRO A 32 16.889 46.296 -11.375 1.00 42.20 C ATOM 0 HA PRO A 32 14.911 46.913 -13.890 1.00 14.51 H new ATOM 0 HB2 PRO A 32 17.409 48.107 -14.111 1.00 33.02 H new ATOM 0 HB3 PRO A 32 16.261 48.651 -12.904 1.00 33.02 H new ATOM 0 HG2 PRO A 32 18.600 46.780 -12.585 1.00 14.15 H new ATOM 0 HG3 PRO A 32 18.080 48.080 -11.531 1.00 14.15 H new ATOM 0 HD2 PRO A 32 17.493 45.478 -10.982 1.00 42.20 H new ATOM 0 HD3 PRO A 32 16.409 46.777 -10.522 1.00 42.20 H new ATOM 509 N SER A 33 15.998 46.169 -15.971 1.00 25.11 N ATOM 510 CA SER A 33 16.446 45.497 -17.185 1.00 60.12 C ATOM 511 C SER A 33 17.800 46.036 -17.637 1.00 52.20 C ATOM 512 O SER A 33 18.144 47.187 -17.366 1.00 30.32 O ATOM 513 CB SER A 33 15.415 45.675 -18.301 1.00 61.14 C ATOM 514 OG SER A 33 15.734 44.870 -19.423 1.00 42.35 O ATOM 0 H SER A 33 15.307 46.903 -16.126 1.00 25.11 H new ATOM 0 HA SER A 33 16.553 44.435 -16.964 1.00 60.12 H new ATOM 0 HB2 SER A 33 14.424 45.412 -17.930 1.00 61.14 H new ATOM 0 HB3 SER A 33 15.376 46.722 -18.600 1.00 61.14 H new ATOM 0 HG SER A 33 15.059 45.000 -20.122 1.00 42.35 H new ATOM 520 N ASP A 34 18.563 45.197 -18.327 1.00 62.55 N ATOM 521 CA ASP A 34 19.879 45.588 -18.819 1.00 25.42 C ATOM 522 C ASP A 34 19.918 45.568 -20.344 1.00 1.43 C ATOM 523 O ASP A 34 19.912 46.618 -20.988 1.00 11.12 O ATOM 524 CB ASP A 34 20.955 44.656 -18.257 1.00 75.22 C ATOM 525 CG ASP A 34 21.531 45.160 -16.949 1.00 23.52 C ATOM 526 OD1 ASP A 34 20.920 44.899 -15.892 1.00 33.11 O ATOM 527 OD2 ASP A 34 22.594 45.815 -16.982 1.00 11.23 O ATOM 0 H ASP A 34 18.293 44.241 -18.559 1.00 62.55 H new ATOM 0 HA ASP A 34 20.078 46.605 -18.482 1.00 25.42 H new ATOM 0 HB2 ASP A 34 20.529 43.664 -18.105 1.00 75.22 H new ATOM 0 HB3 ASP A 34 21.757 44.550 -18.987 1.00 75.22 H new ATOM 532 N CYS A 35 19.959 44.370 -20.914 1.00 71.51 N ATOM 533 CA CYS A 35 20.001 44.214 -22.364 1.00 33.42 C ATOM 534 C CYS A 35 18.679 43.663 -22.890 1.00 22.03 C ATOM 535 O CYS A 35 18.433 43.656 -24.095 1.00 43.41 O ATOM 536 CB CYS A 35 21.149 43.287 -22.765 1.00 21.30 C ATOM 537 SG CYS A 35 21.770 43.563 -24.441 1.00 10.25 S ATOM 0 H CYS A 35 19.964 43.492 -20.395 1.00 71.51 H new ATOM 0 HA CYS A 35 20.166 45.197 -22.806 1.00 33.42 H new ATOM 0 HB2 CYS A 35 21.970 43.416 -22.059 1.00 21.30 H new ATOM 0 HB3 CYS A 35 20.814 42.253 -22.679 1.00 21.30 H new ATOM 0 HG CYS A 35 22.740 42.733 -24.687 1.00 10.25 H new ATOM 543 N GLY A 36 17.831 43.200 -21.976 1.00 64.41 N ATOM 544 CA GLY A 36 16.546 42.651 -22.367 1.00 51.43 C ATOM 545 C GLY A 36 16.233 41.347 -21.661 1.00 52.05 C ATOM 546 O GLY A 36 15.671 40.430 -22.260 1.00 12.34 O ATOM 0 H GLY A 36 18.011 43.196 -20.972 1.00 64.41 H new ATOM 0 HA2 GLY A 36 15.763 43.376 -22.147 1.00 51.43 H new ATOM 0 HA3 GLY A 36 16.537 42.488 -23.445 1.00 51.43 H new ATOM 550 N GLU A 37 16.599 41.263 -20.386 1.00 50.23 N ATOM 551 CA GLU A 37 16.355 40.060 -19.600 1.00 24.41 C ATOM 552 C GLU A 37 14.878 39.677 -19.634 1.00 5.23 C ATOM 553 O GLU A 37 14.525 38.505 -19.503 1.00 64.03 O ATOM 554 CB GLU A 37 16.806 40.269 -18.153 1.00 2.22 C ATOM 555 CG GLU A 37 18.172 39.676 -17.849 1.00 13.23 C ATOM 556 CD GLU A 37 18.094 38.225 -17.416 1.00 22.02 C ATOM 557 OE1 GLU A 37 17.713 37.377 -18.250 1.00 43.31 O ATOM 558 OE2 GLU A 37 18.414 37.937 -16.244 1.00 12.04 O ATOM 0 H GLU A 37 17.065 42.013 -19.876 1.00 50.23 H new ATOM 0 HA GLU A 37 16.933 39.247 -20.039 1.00 24.41 H new ATOM 0 HB2 GLU A 37 16.827 41.338 -17.939 1.00 2.22 H new ATOM 0 HB3 GLU A 37 16.069 39.824 -17.484 1.00 2.22 H new ATOM 0 HG2 GLU A 37 18.803 39.754 -18.734 1.00 13.23 H new ATOM 0 HG3 GLU A 37 18.651 40.261 -17.064 1.00 13.23 H new ATOM 565 N LYS A 38 14.019 40.675 -19.809 1.00 50.22 N ATOM 566 CA LYS A 38 12.580 40.446 -19.861 1.00 50.02 C ATOM 567 C LYS A 38 12.204 39.621 -21.088 1.00 4.01 C ATOM 568 O LYS A 38 11.360 38.729 -21.012 1.00 63.35 O ATOM 569 CB LYS A 38 11.831 41.780 -19.882 1.00 13.32 C ATOM 570 CG LYS A 38 11.560 42.347 -18.499 1.00 12.20 C ATOM 571 CD LYS A 38 12.840 42.816 -17.828 1.00 21.53 C ATOM 572 CE LYS A 38 12.552 43.534 -16.518 1.00 42.04 C ATOM 573 NZ LYS A 38 11.723 44.754 -16.726 1.00 24.24 N ATOM 0 H LYS A 38 14.295 41.651 -19.917 1.00 50.22 H new ATOM 0 HA LYS A 38 12.294 39.889 -18.969 1.00 50.02 H new ATOM 0 HB2 LYS A 38 12.411 42.504 -20.455 1.00 13.32 H new ATOM 0 HB3 LYS A 38 10.883 41.647 -20.403 1.00 13.32 H new ATOM 0 HG2 LYS A 38 10.862 43.181 -18.577 1.00 12.20 H new ATOM 0 HG3 LYS A 38 11.081 41.588 -17.881 1.00 12.20 H new ATOM 0 HD2 LYS A 38 13.488 41.960 -17.640 1.00 21.53 H new ATOM 0 HD3 LYS A 38 13.380 43.484 -18.499 1.00 21.53 H new ATOM 0 HE2 LYS A 38 12.037 42.856 -15.838 1.00 42.04 H new ATOM 0 HE3 LYS A 38 13.492 43.810 -16.041 1.00 42.04 H new ATOM 0 HZ1 LYS A 38 11.812 45.380 -15.900 1.00 24.24 H new ATOM 0 HZ2 LYS A 38 12.050 45.255 -17.577 1.00 24.24 H new ATOM 0 HZ3 LYS A 38 10.727 44.480 -16.847 1.00 24.24 H new ATOM 587 N MET A 39 12.838 39.925 -22.216 1.00 71.41 N ATOM 588 CA MET A 39 12.571 39.208 -23.458 1.00 43.42 C ATOM 589 C MET A 39 13.125 37.788 -23.397 1.00 10.44 C ATOM 590 O MET A 39 12.473 36.837 -23.829 1.00 44.12 O ATOM 591 CB MET A 39 13.183 39.956 -24.644 1.00 65.04 C ATOM 592 CG MET A 39 12.468 41.254 -24.979 1.00 54.53 C ATOM 593 SD MET A 39 13.396 42.712 -24.465 1.00 41.00 S ATOM 594 CE MET A 39 13.259 43.735 -25.929 1.00 35.01 C ATOM 0 H MET A 39 13.539 40.662 -22.296 1.00 71.41 H new ATOM 0 HA MET A 39 11.491 39.151 -23.591 1.00 43.42 H new ATOM 0 HB2 MET A 39 14.229 40.173 -24.426 1.00 65.04 H new ATOM 0 HB3 MET A 39 13.168 39.306 -25.519 1.00 65.04 H new ATOM 0 HG2 MET A 39 12.292 41.300 -26.054 1.00 54.53 H new ATOM 0 HG3 MET A 39 11.491 41.261 -24.496 1.00 54.53 H new ATOM 0 HE1 MET A 39 13.509 44.766 -25.677 1.00 35.01 H new ATOM 0 HE2 MET A 39 13.946 43.371 -26.693 1.00 35.01 H new ATOM 0 HE3 MET A 39 12.238 43.691 -26.309 1.00 35.01 H new ATOM 604 N THR A 40 14.332 37.651 -22.856 1.00 41.45 N ATOM 605 CA THR A 40 14.974 36.348 -22.740 1.00 13.01 C ATOM 606 C THR A 40 14.143 35.401 -21.881 1.00 4.32 C ATOM 607 O THR A 40 14.169 34.185 -22.076 1.00 52.43 O ATOM 608 CB THR A 40 16.385 36.469 -22.134 1.00 33.31 C ATOM 609 OG1 THR A 40 16.301 36.958 -20.791 1.00 11.12 O ATOM 610 CG2 THR A 40 17.253 37.401 -22.965 1.00 72.04 C ATOM 0 H THR A 40 14.884 38.427 -22.491 1.00 41.45 H new ATOM 0 HA THR A 40 15.054 35.943 -23.749 1.00 13.01 H new ATOM 0 HB THR A 40 16.841 35.479 -22.132 1.00 33.31 H new ATOM 0 HG1 THR A 40 15.455 37.438 -20.670 1.00 11.12 H new ATOM 0 HG21 THR A 40 18.244 37.470 -22.517 1.00 72.04 H new ATOM 0 HG22 THR A 40 17.339 37.010 -23.979 1.00 72.04 H new ATOM 0 HG23 THR A 40 16.798 38.391 -22.995 1.00 72.04 H new ATOM 618 N LEU A 41 13.407 35.965 -20.930 1.00 3.14 N ATOM 619 CA LEU A 41 12.567 35.170 -20.040 1.00 44.51 C ATOM 620 C LEU A 41 11.349 34.629 -20.781 1.00 64.52 C ATOM 621 O LEU A 41 10.961 33.475 -20.596 1.00 74.43 O ATOM 622 CB LEU A 41 12.118 36.012 -18.844 1.00 61.21 C ATOM 623 CG LEU A 41 11.979 35.269 -17.515 1.00 22.40 C ATOM 624 CD1 LEU A 41 11.256 33.946 -17.716 1.00 52.10 C ATOM 625 CD2 LEU A 41 13.346 35.041 -16.886 1.00 20.30 C ATOM 0 H LEU A 41 13.375 36.969 -20.755 1.00 3.14 H new ATOM 0 HA LEU A 41 13.156 34.326 -19.682 1.00 44.51 H new ATOM 0 HB2 LEU A 41 12.831 36.826 -18.710 1.00 61.21 H new ATOM 0 HB3 LEU A 41 11.157 36.467 -19.085 1.00 61.21 H new ATOM 0 HG LEU A 41 11.387 35.884 -16.837 1.00 22.40 H new ATOM 0 HD11 LEU A 41 11.166 33.431 -16.759 1.00 52.10 H new ATOM 0 HD12 LEU A 41 10.262 34.133 -18.122 1.00 52.10 H new ATOM 0 HD13 LEU A 41 11.821 33.325 -18.411 1.00 52.10 H new ATOM 0 HD21 LEU A 41 13.228 34.511 -15.941 1.00 20.30 H new ATOM 0 HD22 LEU A 41 13.962 34.447 -17.561 1.00 20.30 H new ATOM 0 HD23 LEU A 41 13.828 36.002 -16.705 1.00 20.30 H new ATOM 637 N CYS A 42 10.753 35.467 -21.621 1.00 41.22 N ATOM 638 CA CYS A 42 9.580 35.072 -22.392 1.00 73.22 C ATOM 639 C CYS A 42 9.852 33.794 -23.179 1.00 54.15 C ATOM 640 O CYS A 42 9.056 32.855 -23.151 1.00 72.22 O ATOM 641 CB CYS A 42 9.168 36.195 -23.345 1.00 71.33 C ATOM 642 SG CYS A 42 7.845 35.742 -24.492 1.00 31.14 S ATOM 0 H CYS A 42 11.063 36.425 -21.786 1.00 41.22 H new ATOM 0 HA CYS A 42 8.765 34.881 -21.694 1.00 73.22 H new ATOM 0 HB2 CYS A 42 8.847 37.055 -22.758 1.00 71.33 H new ATOM 0 HB3 CYS A 42 10.040 36.508 -23.919 1.00 71.33 H new ATOM 0 HG CYS A 42 7.565 36.757 -25.255 1.00 31.14 H new ATOM 648 N ILE A 43 10.979 33.767 -23.882 1.00 60.01 N ATOM 649 CA ILE A 43 11.355 32.605 -24.678 1.00 20.14 C ATOM 650 C ILE A 43 11.773 31.440 -23.786 1.00 54.32 C ATOM 651 O ILE A 43 11.674 30.278 -24.179 1.00 61.03 O ATOM 652 CB ILE A 43 12.507 32.934 -25.646 1.00 15.21 C ATOM 653 CG1 ILE A 43 13.717 33.461 -24.873 1.00 0.43 C ATOM 654 CG2 ILE A 43 12.052 33.949 -26.684 1.00 74.23 C ATOM 655 CD1 ILE A 43 14.951 33.637 -25.729 1.00 44.13 C ATOM 0 H ILE A 43 11.648 34.536 -23.917 1.00 60.01 H new ATOM 0 HA ILE A 43 10.476 32.321 -25.256 1.00 20.14 H new ATOM 0 HB ILE A 43 12.800 32.020 -26.163 1.00 15.21 H new ATOM 0 HG12 ILE A 43 13.460 34.418 -24.420 1.00 0.43 H new ATOM 0 HG13 ILE A 43 13.945 32.774 -24.058 1.00 0.43 H new ATOM 0 HG21 ILE A 43 12.877 34.172 -27.361 1.00 74.23 H new ATOM 0 HG22 ILE A 43 11.217 33.539 -27.252 1.00 74.23 H new ATOM 0 HG23 ILE A 43 11.736 34.864 -26.184 1.00 74.23 H new ATOM 0 HD11 ILE A 43 15.769 34.013 -25.115 1.00 44.13 H new ATOM 0 HD12 ILE A 43 15.234 32.677 -26.161 1.00 44.13 H new ATOM 0 HD13 ILE A 43 14.741 34.347 -26.529 1.00 44.13 H new ATOM 667 N SER A 44 12.238 31.760 -22.583 1.00 13.31 N ATOM 668 CA SER A 44 12.672 30.741 -21.635 1.00 64.34 C ATOM 669 C SER A 44 11.477 29.980 -21.070 1.00 61.41 C ATOM 670 O SER A 44 11.420 28.752 -21.137 1.00 23.45 O ATOM 671 CB SER A 44 13.470 31.379 -20.497 1.00 13.44 C ATOM 672 OG SER A 44 14.812 31.618 -20.885 1.00 34.24 O ATOM 0 H SER A 44 12.324 32.717 -22.242 1.00 13.31 H new ATOM 0 HA SER A 44 13.311 30.036 -22.166 1.00 64.34 H new ATOM 0 HB2 SER A 44 13.001 32.318 -20.202 1.00 13.44 H new ATOM 0 HB3 SER A 44 13.451 30.725 -19.625 1.00 13.44 H new ATOM 0 HG SER A 44 14.871 32.483 -21.343 1.00 34.24 H new ATOM 678 N VAL A 45 10.523 30.718 -20.513 1.00 54.52 N ATOM 679 CA VAL A 45 9.327 30.115 -19.937 1.00 1.03 C ATOM 680 C VAL A 45 8.659 29.166 -20.926 1.00 12.45 C ATOM 681 O VAL A 45 8.260 28.058 -20.567 1.00 23.53 O ATOM 682 CB VAL A 45 8.310 31.188 -19.504 1.00 20.43 C ATOM 683 CG1 VAL A 45 6.944 30.563 -19.264 1.00 21.30 C ATOM 684 CG2 VAL A 45 8.799 31.914 -18.260 1.00 21.45 C ATOM 0 H VAL A 45 10.555 31.735 -20.448 1.00 54.52 H new ATOM 0 HA VAL A 45 9.647 29.554 -19.059 1.00 1.03 H new ATOM 0 HB VAL A 45 8.213 31.917 -20.308 1.00 20.43 H new ATOM 0 HG11 VAL A 45 6.239 31.336 -18.959 1.00 21.30 H new ATOM 0 HG12 VAL A 45 6.592 30.093 -20.183 1.00 21.30 H new ATOM 0 HG13 VAL A 45 7.021 29.811 -18.478 1.00 21.30 H new ATOM 0 HG21 VAL A 45 8.068 32.668 -17.968 1.00 21.45 H new ATOM 0 HG22 VAL A 45 8.926 31.199 -17.448 1.00 21.45 H new ATOM 0 HG23 VAL A 45 9.753 32.396 -18.472 1.00 21.45 H new ATOM 694 N LEU A 46 8.540 29.609 -22.172 1.00 75.35 N ATOM 695 CA LEU A 46 7.920 28.799 -23.215 1.00 75.35 C ATOM 696 C LEU A 46 8.777 27.580 -23.540 1.00 32.40 C ATOM 697 O LEU A 46 8.263 26.536 -23.945 1.00 20.10 O ATOM 698 CB LEU A 46 7.704 29.635 -24.478 1.00 11.42 C ATOM 699 CG LEU A 46 6.906 28.967 -25.598 1.00 30.11 C ATOM 700 CD1 LEU A 46 5.513 28.596 -25.113 1.00 22.10 C ATOM 701 CD2 LEU A 46 6.824 29.880 -26.813 1.00 22.05 C ATOM 0 H LEU A 46 8.864 30.524 -22.485 1.00 75.35 H new ATOM 0 HA LEU A 46 6.954 28.454 -22.845 1.00 75.35 H new ATOM 0 HB2 LEU A 46 7.195 30.557 -24.196 1.00 11.42 H new ATOM 0 HB3 LEU A 46 8.680 29.918 -24.873 1.00 11.42 H new ATOM 0 HG LEU A 46 7.422 28.053 -25.890 1.00 30.11 H new ATOM 0 HD11 LEU A 46 4.960 28.122 -25.924 1.00 22.10 H new ATOM 0 HD12 LEU A 46 5.592 27.904 -24.274 1.00 22.10 H new ATOM 0 HD13 LEU A 46 4.988 29.496 -24.793 1.00 22.10 H new ATOM 0 HD21 LEU A 46 6.252 29.388 -27.600 1.00 22.05 H new ATOM 0 HD22 LEU A 46 6.331 30.812 -26.535 1.00 22.05 H new ATOM 0 HD23 LEU A 46 7.829 30.095 -27.175 1.00 22.05 H new ATOM 713 N LEU A 47 10.085 27.718 -23.358 1.00 24.43 N ATOM 714 CA LEU A 47 11.015 26.627 -23.629 1.00 30.52 C ATOM 715 C LEU A 47 10.633 25.377 -22.842 1.00 12.24 C ATOM 716 O LEU A 47 10.340 24.332 -23.421 1.00 64.31 O ATOM 717 CB LEU A 47 12.443 27.048 -23.277 1.00 71.34 C ATOM 718 CG LEU A 47 13.562 26.215 -23.904 1.00 32.21 C ATOM 719 CD1 LEU A 47 13.956 26.783 -25.258 1.00 50.23 C ATOM 720 CD2 LEU A 47 14.767 26.157 -22.977 1.00 31.15 C ATOM 0 H LEU A 47 10.526 28.575 -23.024 1.00 24.43 H new ATOM 0 HA LEU A 47 10.963 26.394 -24.693 1.00 30.52 H new ATOM 0 HB2 LEU A 47 12.579 28.087 -23.577 1.00 71.34 H new ATOM 0 HB3 LEU A 47 12.554 27.012 -22.193 1.00 71.34 H new ATOM 0 HG LEU A 47 13.193 25.200 -24.052 1.00 32.21 H new ATOM 0 HD11 LEU A 47 14.753 26.177 -25.689 1.00 50.23 H new ATOM 0 HD12 LEU A 47 13.092 26.772 -25.923 1.00 50.23 H new ATOM 0 HD13 LEU A 47 14.305 27.808 -25.135 1.00 50.23 H new ATOM 0 HD21 LEU A 47 15.553 25.560 -23.439 1.00 31.15 H new ATOM 0 HD22 LEU A 47 15.136 27.167 -22.797 1.00 31.15 H new ATOM 0 HD23 LEU A 47 14.476 25.703 -22.030 1.00 31.15 H new ATOM 732 N ALA A 48 10.635 25.494 -21.518 1.00 4.42 N ATOM 733 CA ALA A 48 10.285 24.376 -20.651 1.00 51.02 C ATOM 734 C ALA A 48 8.918 23.807 -21.016 1.00 20.44 C ATOM 735 O ALA A 48 8.736 22.590 -21.072 1.00 60.40 O ATOM 736 CB ALA A 48 10.306 24.811 -19.193 1.00 51.24 C ATOM 0 H ALA A 48 10.875 26.353 -21.022 1.00 4.42 H new ATOM 0 HA ALA A 48 11.027 23.591 -20.794 1.00 51.02 H new ATOM 0 HB1 ALA A 48 10.043 23.966 -18.557 1.00 51.24 H new ATOM 0 HB2 ALA A 48 11.304 25.164 -18.933 1.00 51.24 H new ATOM 0 HB3 ALA A 48 9.586 25.616 -19.043 1.00 51.24 H new ATOM 742 N LEU A 49 7.960 24.693 -21.261 1.00 74.14 N ATOM 743 CA LEU A 49 6.608 24.278 -21.620 1.00 53.32 C ATOM 744 C LEU A 49 6.627 23.339 -22.822 1.00 21.23 C ATOM 745 O LEU A 49 5.753 22.484 -22.970 1.00 40.01 O ATOM 746 CB LEU A 49 5.743 25.502 -21.929 1.00 31.42 C ATOM 747 CG LEU A 49 4.370 25.539 -21.257 1.00 54.45 C ATOM 748 CD1 LEU A 49 3.649 24.213 -21.442 1.00 55.20 C ATOM 749 CD2 LEU A 49 4.508 25.872 -19.779 1.00 13.30 C ATOM 0 H LEU A 49 8.094 25.703 -21.218 1.00 74.14 H new ATOM 0 HA LEU A 49 6.182 23.743 -20.771 1.00 53.32 H new ATOM 0 HB2 LEU A 49 6.294 26.395 -21.635 1.00 31.42 H new ATOM 0 HB3 LEU A 49 5.599 25.558 -23.008 1.00 31.42 H new ATOM 0 HG LEU A 49 3.776 26.321 -21.731 1.00 54.45 H new ATOM 0 HD11 LEU A 49 2.674 24.258 -20.957 1.00 55.20 H new ATOM 0 HD12 LEU A 49 3.516 24.016 -22.506 1.00 55.20 H new ATOM 0 HD13 LEU A 49 4.239 23.413 -20.996 1.00 55.20 H new ATOM 0 HD21 LEU A 49 3.521 25.894 -19.317 1.00 13.30 H new ATOM 0 HD22 LEU A 49 5.120 25.114 -19.291 1.00 13.30 H new ATOM 0 HD23 LEU A 49 4.982 26.847 -19.668 1.00 13.30 H new ATOM 761 N THR A 50 7.631 23.501 -23.678 1.00 5.35 N ATOM 762 CA THR A 50 7.766 22.668 -24.865 1.00 71.24 C ATOM 763 C THR A 50 8.431 21.338 -24.531 1.00 63.43 C ATOM 764 O THR A 50 8.111 20.306 -25.122 1.00 10.02 O ATOM 765 CB THR A 50 8.585 23.378 -25.960 1.00 74.32 C ATOM 766 OG1 THR A 50 8.333 24.787 -25.924 1.00 30.12 O ATOM 767 CG2 THR A 50 8.237 22.831 -27.336 1.00 71.44 C ATOM 0 H THR A 50 8.363 24.203 -23.570 1.00 5.35 H new ATOM 0 HA THR A 50 6.758 22.484 -25.237 1.00 71.24 H new ATOM 0 HB THR A 50 9.642 23.193 -25.769 1.00 74.32 H new ATOM 0 HG1 THR A 50 8.731 25.170 -25.115 1.00 30.12 H new ATOM 0 HG21 THR A 50 8.828 23.347 -28.093 1.00 71.44 H new ATOM 0 HG22 THR A 50 8.457 21.764 -27.370 1.00 71.44 H new ATOM 0 HG23 THR A 50 7.177 22.989 -27.533 1.00 71.44 H new ATOM 775 N VAL A 51 9.359 21.368 -23.580 1.00 22.21 N ATOM 776 CA VAL A 51 10.069 20.163 -23.166 1.00 11.44 C ATOM 777 C VAL A 51 9.095 19.042 -22.823 1.00 73.24 C ATOM 778 O VAL A 51 9.132 17.968 -23.424 1.00 22.53 O ATOM 779 CB VAL A 51 10.971 20.435 -21.947 1.00 71.40 C ATOM 780 CG1 VAL A 51 11.664 19.156 -21.500 1.00 40.45 C ATOM 781 CG2 VAL A 51 11.989 21.518 -22.269 1.00 12.32 C ATOM 0 H VAL A 51 9.637 22.213 -23.082 1.00 22.21 H new ATOM 0 HA VAL A 51 10.690 19.856 -24.008 1.00 11.44 H new ATOM 0 HB VAL A 51 10.347 20.788 -21.126 1.00 71.40 H new ATOM 0 HG11 VAL A 51 12.297 19.367 -20.638 1.00 40.45 H new ATOM 0 HG12 VAL A 51 10.915 18.413 -21.227 1.00 40.45 H new ATOM 0 HG13 VAL A 51 12.277 18.771 -22.315 1.00 40.45 H new ATOM 0 HG21 VAL A 51 12.618 21.697 -21.397 1.00 12.32 H new ATOM 0 HG22 VAL A 51 12.611 21.196 -23.104 1.00 12.32 H new ATOM 0 HG23 VAL A 51 11.469 22.438 -22.537 1.00 12.32 H new ATOM 791 N PHE A 52 8.222 19.299 -21.855 1.00 31.32 N ATOM 792 CA PHE A 52 7.237 18.310 -21.432 1.00 13.45 C ATOM 793 C PHE A 52 6.196 18.078 -22.523 1.00 14.43 C ATOM 794 O PHE A 52 5.798 16.943 -22.786 1.00 70.32 O ATOM 795 CB PHE A 52 6.549 18.765 -20.143 1.00 34.44 C ATOM 796 CG PHE A 52 7.361 18.505 -18.906 1.00 14.10 C ATOM 797 CD1 PHE A 52 7.617 17.209 -18.489 1.00 63.01 C ATOM 798 CD2 PHE A 52 7.867 19.557 -18.160 1.00 52.42 C ATOM 799 CE1 PHE A 52 8.365 16.967 -17.352 1.00 34.42 C ATOM 800 CE2 PHE A 52 8.615 19.321 -17.022 1.00 50.24 C ATOM 801 CZ PHE A 52 8.863 18.024 -16.617 1.00 1.41 C ATOM 0 H PHE A 52 8.176 20.183 -21.349 1.00 31.32 H new ATOM 0 HA PHE A 52 7.758 17.371 -21.246 1.00 13.45 H new ATOM 0 HB2 PHE A 52 6.337 19.832 -20.211 1.00 34.44 H new ATOM 0 HB3 PHE A 52 5.590 18.254 -20.053 1.00 34.44 H new ATOM 0 HD1 PHE A 52 7.228 16.378 -19.059 1.00 63.01 H new ATOM 0 HD2 PHE A 52 7.675 20.573 -18.471 1.00 52.42 H new ATOM 0 HE1 PHE A 52 8.560 15.952 -17.039 1.00 34.42 H new ATOM 0 HE2 PHE A 52 9.005 20.150 -16.450 1.00 50.24 H new ATOM 0 HZ PHE A 52 9.445 17.837 -15.727 1.00 1.41 H new ATOM 811 N LEU A 53 5.758 19.162 -23.154 1.00 15.12 N ATOM 812 CA LEU A 53 4.762 19.079 -24.217 1.00 32.53 C ATOM 813 C LEU A 53 5.178 18.061 -25.274 1.00 42.11 C ATOM 814 O LEU A 53 4.342 17.341 -25.821 1.00 62.23 O ATOM 815 CB LEU A 53 4.561 20.450 -24.863 1.00 40.14 C ATOM 816 CG LEU A 53 3.560 20.508 -26.018 1.00 32.14 C ATOM 817 CD1 LEU A 53 2.211 19.956 -25.582 1.00 50.54 C ATOM 818 CD2 LEU A 53 3.415 21.934 -26.528 1.00 5.34 C ATOM 0 H LEU A 53 6.077 20.109 -22.948 1.00 15.12 H new ATOM 0 HA LEU A 53 3.821 18.752 -23.775 1.00 32.53 H new ATOM 0 HB2 LEU A 53 4.236 21.149 -24.092 1.00 40.14 H new ATOM 0 HB3 LEU A 53 5.526 20.803 -25.227 1.00 40.14 H new ATOM 0 HG LEU A 53 3.938 19.890 -26.832 1.00 32.14 H new ATOM 0 HD11 LEU A 53 1.511 20.005 -26.416 1.00 50.54 H new ATOM 0 HD12 LEU A 53 2.327 18.919 -25.266 1.00 50.54 H new ATOM 0 HD13 LEU A 53 1.827 20.548 -24.751 1.00 50.54 H new ATOM 0 HD21 LEU A 53 2.699 21.956 -27.349 1.00 5.34 H new ATOM 0 HD22 LEU A 53 3.061 22.575 -25.721 1.00 5.34 H new ATOM 0 HD23 LEU A 53 4.382 22.295 -26.880 1.00 5.34 H new ATOM 830 N LEU A 54 6.475 18.006 -25.556 1.00 23.33 N ATOM 831 CA LEU A 54 7.004 17.074 -26.546 1.00 50.43 C ATOM 832 C LEU A 54 7.195 15.687 -25.942 1.00 73.11 C ATOM 833 O LEU A 54 7.042 14.674 -26.626 1.00 33.23 O ATOM 834 CB LEU A 54 8.334 17.589 -27.100 1.00 54.15 C ATOM 835 CG LEU A 54 8.659 17.192 -28.541 1.00 0.41 C ATOM 836 CD1 LEU A 54 7.945 18.110 -29.521 1.00 72.44 C ATOM 837 CD2 LEU A 54 10.162 17.224 -28.776 1.00 41.02 C ATOM 0 H LEU A 54 7.180 18.596 -25.113 1.00 23.33 H new ATOM 0 HA LEU A 54 6.283 16.999 -27.360 1.00 50.43 H new ATOM 0 HB2 LEU A 54 8.335 18.677 -27.035 1.00 54.15 H new ATOM 0 HB3 LEU A 54 9.137 17.230 -26.456 1.00 54.15 H new ATOM 0 HG LEU A 54 8.307 16.174 -28.706 1.00 0.41 H new ATOM 0 HD11 LEU A 54 8.188 17.813 -30.541 1.00 72.44 H new ATOM 0 HD12 LEU A 54 6.868 18.038 -29.369 1.00 72.44 H new ATOM 0 HD13 LEU A 54 8.267 19.138 -29.357 1.00 72.44 H new ATOM 0 HD21 LEU A 54 10.375 16.939 -29.806 1.00 41.02 H new ATOM 0 HD22 LEU A 54 10.538 18.231 -28.593 1.00 41.02 H new ATOM 0 HD23 LEU A 54 10.651 16.525 -28.097 1.00 41.02 H new ATOM 849 N LEU A 55 7.528 15.648 -24.657 1.00 34.04 N ATOM 850 CA LEU A 55 7.737 14.384 -23.959 1.00 1.35 C ATOM 851 C LEU A 55 6.551 13.447 -24.161 1.00 51.02 C ATOM 852 O LEU A 55 6.719 12.296 -24.566 1.00 12.30 O ATOM 853 CB LEU A 55 7.955 14.634 -22.465 1.00 40.02 C ATOM 854 CG LEU A 55 8.138 13.389 -21.596 1.00 53.21 C ATOM 855 CD1 LEU A 55 6.790 12.862 -21.128 1.00 50.33 C ATOM 856 CD2 LEU A 55 8.898 12.313 -22.358 1.00 54.54 C ATOM 0 H LEU A 55 7.659 16.477 -24.077 1.00 34.04 H new ATOM 0 HA LEU A 55 8.626 13.910 -24.376 1.00 1.35 H new ATOM 0 HB2 LEU A 55 8.834 15.267 -22.347 1.00 40.02 H new ATOM 0 HB3 LEU A 55 7.103 15.197 -22.083 1.00 40.02 H new ATOM 0 HG LEU A 55 8.722 13.665 -20.718 1.00 53.21 H new ATOM 0 HD11 LEU A 55 6.940 11.976 -20.511 1.00 50.33 H new ATOM 0 HD12 LEU A 55 6.282 13.629 -20.544 1.00 50.33 H new ATOM 0 HD13 LEU A 55 6.180 12.602 -21.994 1.00 50.33 H new ATOM 0 HD21 LEU A 55 9.019 11.435 -21.724 1.00 54.54 H new ATOM 0 HD22 LEU A 55 8.341 12.040 -23.254 1.00 54.54 H new ATOM 0 HD23 LEU A 55 9.879 12.693 -22.642 1.00 54.54 H new ATOM 868 N ILE A 56 5.353 13.948 -23.879 1.00 71.13 N ATOM 869 CA ILE A 56 4.139 13.156 -24.034 1.00 52.32 C ATOM 870 C ILE A 56 3.685 13.125 -25.490 1.00 31.14 C ATOM 871 O ILE A 56 3.009 12.191 -25.920 1.00 34.33 O ATOM 872 CB ILE A 56 2.994 13.705 -23.163 1.00 12.33 C ATOM 873 CG1 ILE A 56 3.447 13.832 -21.707 1.00 22.41 C ATOM 874 CG2 ILE A 56 1.771 12.806 -23.266 1.00 62.24 C ATOM 875 CD1 ILE A 56 3.973 15.206 -21.355 1.00 34.44 C ATOM 0 H ILE A 56 5.197 14.898 -23.542 1.00 71.13 H new ATOM 0 HA ILE A 56 4.379 12.144 -23.709 1.00 52.32 H new ATOM 0 HB ILE A 56 2.724 14.696 -23.528 1.00 12.33 H new ATOM 0 HG12 ILE A 56 2.609 13.594 -21.052 1.00 22.41 H new ATOM 0 HG13 ILE A 56 4.224 13.093 -21.511 1.00 22.41 H new ATOM 0 HG21 ILE A 56 0.971 13.208 -22.645 1.00 62.24 H new ATOM 0 HG22 ILE A 56 1.438 12.762 -24.303 1.00 62.24 H new ATOM 0 HG23 ILE A 56 2.027 11.803 -22.924 1.00 62.24 H new ATOM 0 HD11 ILE A 56 4.276 15.223 -20.308 1.00 34.44 H new ATOM 0 HD12 ILE A 56 4.832 15.439 -21.985 1.00 34.44 H new ATOM 0 HD13 ILE A 56 3.191 15.948 -21.518 1.00 34.44 H new ATOM 1056 N SER A 69 -3.028 11.814 -17.572 1.00 42.41 N ATOM 1057 CA SER A 69 -3.665 13.085 -17.246 1.00 4.02 C ATOM 1058 C SER A 69 -2.865 14.255 -17.811 1.00 63.43 C ATOM 1059 O SER A 69 -2.939 15.375 -17.306 1.00 24.44 O ATOM 1060 CB SER A 69 -3.806 13.234 -15.730 1.00 4.53 C ATOM 1061 OG SER A 69 -4.777 12.339 -15.217 1.00 50.12 O ATOM 0 HA SER A 69 -4.656 13.093 -17.699 1.00 4.02 H new ATOM 0 HB2 SER A 69 -2.845 13.045 -15.252 1.00 4.53 H new ATOM 0 HB3 SER A 69 -4.087 14.259 -15.487 1.00 4.53 H new ATOM 0 HG SER A 69 -4.797 11.528 -15.767 1.00 50.12 H new ATOM 1067 N VAL A 70 -2.100 13.986 -18.865 1.00 24.24 N ATOM 1068 CA VAL A 70 -1.286 15.015 -19.501 1.00 21.21 C ATOM 1069 C VAL A 70 -2.140 16.201 -19.935 1.00 71.40 C ATOM 1070 O VAL A 70 -1.650 17.323 -20.051 1.00 21.02 O ATOM 1071 CB VAL A 70 -0.537 14.460 -20.727 1.00 21.41 C ATOM 1072 CG1 VAL A 70 -1.522 13.969 -21.777 1.00 45.14 C ATOM 1073 CG2 VAL A 70 0.392 15.516 -21.307 1.00 32.23 C ATOM 0 H VAL A 70 -2.027 13.064 -19.296 1.00 24.24 H new ATOM 0 HA VAL A 70 -0.559 15.346 -18.760 1.00 21.21 H new ATOM 0 HB VAL A 70 0.069 13.612 -20.408 1.00 21.41 H new ATOM 0 HG11 VAL A 70 -0.975 13.580 -22.636 1.00 45.14 H new ATOM 0 HG12 VAL A 70 -2.141 13.178 -21.353 1.00 45.14 H new ATOM 0 HG13 VAL A 70 -2.157 14.796 -22.095 1.00 45.14 H new ATOM 0 HG21 VAL A 70 0.913 15.107 -22.172 1.00 32.23 H new ATOM 0 HG22 VAL A 70 -0.191 16.385 -21.612 1.00 32.23 H new ATOM 0 HG23 VAL A 70 1.120 15.814 -20.553 1.00 32.23 H new ATOM 1083 N GLY A 71 -3.423 15.943 -20.174 1.00 4.30 N ATOM 1084 CA GLY A 71 -4.326 16.999 -20.592 1.00 43.53 C ATOM 1085 C GLY A 71 -4.734 17.902 -19.445 1.00 24.12 C ATOM 1086 O GLY A 71 -4.855 19.115 -19.614 1.00 72.41 O ATOM 0 H GLY A 71 -3.852 15.022 -20.085 1.00 4.30 H new ATOM 0 HA2 GLY A 71 -3.847 17.596 -21.368 1.00 43.53 H new ATOM 0 HA3 GLY A 71 -5.217 16.556 -21.036 1.00 43.53 H new ATOM 1090 N GLU A 72 -4.947 17.309 -18.274 1.00 62.33 N ATOM 1091 CA GLU A 72 -5.346 18.068 -17.095 1.00 51.23 C ATOM 1092 C GLU A 72 -4.362 19.202 -16.819 1.00 73.43 C ATOM 1093 O GLU A 72 -4.750 20.367 -16.731 1.00 63.14 O ATOM 1094 CB GLU A 72 -5.437 17.149 -15.876 1.00 31.33 C ATOM 1095 CG GLU A 72 -6.386 15.977 -16.066 1.00 11.41 C ATOM 1096 CD GLU A 72 -7.814 16.316 -15.685 1.00 33.11 C ATOM 1097 OE1 GLU A 72 -8.016 16.896 -14.597 1.00 61.32 O ATOM 1098 OE2 GLU A 72 -8.730 16.001 -16.474 1.00 2.35 O ATOM 0 H GLU A 72 -4.850 16.306 -18.117 1.00 62.33 H new ATOM 0 HA GLU A 72 -6.328 18.501 -17.288 1.00 51.23 H new ATOM 0 HB2 GLU A 72 -4.443 16.767 -15.645 1.00 31.33 H new ATOM 0 HB3 GLU A 72 -5.762 17.733 -15.015 1.00 31.33 H new ATOM 0 HG2 GLU A 72 -6.358 15.657 -17.107 1.00 11.41 H new ATOM 0 HG3 GLU A 72 -6.043 15.135 -15.464 1.00 11.41 H new ATOM 1105 N TYR A 73 -3.088 18.851 -16.683 1.00 74.20 N ATOM 1106 CA TYR A 73 -2.049 19.837 -16.414 1.00 3.01 C ATOM 1107 C TYR A 73 -1.988 20.882 -17.524 1.00 72.31 C ATOM 1108 O TYR A 73 -1.951 22.084 -17.260 1.00 54.32 O ATOM 1109 CB TYR A 73 -0.690 19.150 -16.270 1.00 44.02 C ATOM 1110 CG TYR A 73 -0.668 18.065 -15.218 1.00 32.52 C ATOM 1111 CD1 TYR A 73 -0.673 18.381 -13.865 1.00 13.31 C ATOM 1112 CD2 TYR A 73 -0.642 16.722 -15.576 1.00 42.41 C ATOM 1113 CE1 TYR A 73 -0.653 17.393 -12.900 1.00 10.12 C ATOM 1114 CE2 TYR A 73 -0.623 15.728 -14.618 1.00 21.41 C ATOM 1115 CZ TYR A 73 -0.628 16.068 -13.281 1.00 74.23 C ATOM 1116 OH TYR A 73 -0.608 15.080 -12.324 1.00 32.33 O ATOM 0 H TYR A 73 -2.750 17.891 -16.755 1.00 74.20 H new ATOM 0 HA TYR A 73 -2.295 20.341 -15.479 1.00 3.01 H new ATOM 0 HB2 TYR A 73 -0.407 18.719 -17.230 1.00 44.02 H new ATOM 0 HB3 TYR A 73 0.062 19.899 -16.023 1.00 44.02 H new ATOM 0 HD1 TYR A 73 -0.693 19.418 -13.562 1.00 13.31 H new ATOM 0 HD2 TYR A 73 -0.637 16.452 -16.622 1.00 42.41 H new ATOM 0 HE1 TYR A 73 -0.657 17.657 -11.853 1.00 10.12 H new ATOM 0 HE2 TYR A 73 -0.604 14.689 -14.914 1.00 21.41 H new ATOM 0 HH TYR A 73 -0.593 14.202 -12.760 1.00 32.33 H new ATOM 1126 N LEU A 74 -1.979 20.414 -18.767 1.00 63.14 N ATOM 1127 CA LEU A 74 -1.924 21.306 -19.920 1.00 44.22 C ATOM 1128 C LEU A 74 -3.075 22.306 -19.890 1.00 42.41 C ATOM 1129 O LEU A 74 -2.941 23.435 -20.361 1.00 55.35 O ATOM 1130 CB LEU A 74 -1.969 20.498 -21.218 1.00 41.02 C ATOM 1131 CG LEU A 74 -0.730 20.589 -22.109 1.00 45.01 C ATOM 1132 CD1 LEU A 74 -0.447 22.036 -22.484 1.00 25.52 C ATOM 1133 CD2 LEU A 74 0.474 19.971 -21.413 1.00 3.22 C ATOM 0 H LEU A 74 -2.009 19.422 -19.002 1.00 63.14 H new ATOM 0 HA LEU A 74 -0.986 21.859 -19.876 1.00 44.22 H new ATOM 0 HB2 LEU A 74 -2.134 19.451 -20.965 1.00 41.02 H new ATOM 0 HB3 LEU A 74 -2.833 20.826 -21.797 1.00 41.02 H new ATOM 0 HG LEU A 74 -0.922 20.029 -23.024 1.00 45.01 H new ATOM 0 HD11 LEU A 74 0.438 22.081 -23.118 1.00 25.52 H new ATOM 0 HD12 LEU A 74 -1.301 22.446 -23.023 1.00 25.52 H new ATOM 0 HD13 LEU A 74 -0.275 22.619 -21.579 1.00 25.52 H new ATOM 0 HD21 LEU A 74 1.347 20.045 -22.062 1.00 3.22 H new ATOM 0 HD22 LEU A 74 0.668 20.503 -20.482 1.00 3.22 H new ATOM 0 HD23 LEU A 74 0.270 18.922 -21.196 1.00 3.22 H new ATOM 1145 N MET A 75 -4.204 21.884 -19.331 1.00 11.31 N ATOM 1146 CA MET A 75 -5.378 22.745 -19.236 1.00 63.22 C ATOM 1147 C MET A 75 -5.092 23.959 -18.359 1.00 10.34 C ATOM 1148 O MET A 75 -5.426 25.089 -18.717 1.00 33.23 O ATOM 1149 CB MET A 75 -6.566 21.963 -18.674 1.00 30.44 C ATOM 1150 CG MET A 75 -7.880 22.264 -19.377 1.00 24.22 C ATOM 1151 SD MET A 75 -8.341 20.987 -20.563 1.00 72.11 S ATOM 1152 CE MET A 75 -8.790 19.648 -19.462 1.00 31.23 C ATOM 0 H MET A 75 -4.331 20.952 -18.937 1.00 11.31 H new ATOM 0 HA MET A 75 -5.624 23.094 -20.239 1.00 63.22 H new ATOM 0 HB2 MET A 75 -6.358 20.896 -18.752 1.00 30.44 H new ATOM 0 HB3 MET A 75 -6.671 22.190 -17.613 1.00 30.44 H new ATOM 0 HG2 MET A 75 -8.670 22.366 -18.633 1.00 24.22 H new ATOM 0 HG3 MET A 75 -7.801 23.221 -19.892 1.00 24.22 H new ATOM 0 HE1 MET A 75 -9.388 18.916 -20.004 1.00 31.23 H new ATOM 0 HE2 MET A 75 -7.887 19.170 -19.084 1.00 31.23 H new ATOM 0 HE3 MET A 75 -9.369 20.042 -18.627 1.00 31.23 H new ATOM 1162 N PHE A 76 -4.472 23.719 -17.208 1.00 13.43 N ATOM 1163 CA PHE A 76 -4.143 24.794 -16.278 1.00 70.14 C ATOM 1164 C PHE A 76 -2.912 25.562 -16.750 1.00 2.35 C ATOM 1165 O PHE A 76 -2.829 26.781 -16.595 1.00 40.32 O ATOM 1166 CB PHE A 76 -3.900 24.229 -14.877 1.00 71.55 C ATOM 1167 CG PHE A 76 -5.026 23.372 -14.373 1.00 70.22 C ATOM 1168 CD1 PHE A 76 -6.308 23.886 -14.259 1.00 24.22 C ATOM 1169 CD2 PHE A 76 -4.803 22.053 -14.013 1.00 23.40 C ATOM 1170 CE1 PHE A 76 -7.346 23.100 -13.795 1.00 51.14 C ATOM 1171 CE2 PHE A 76 -5.837 21.262 -13.549 1.00 52.15 C ATOM 1172 CZ PHE A 76 -7.110 21.787 -13.439 1.00 72.33 C ATOM 0 H PHE A 76 -4.187 22.790 -16.897 1.00 13.43 H new ATOM 0 HA PHE A 76 -4.988 25.482 -16.242 1.00 70.14 H new ATOM 0 HB2 PHE A 76 -2.982 23.641 -14.885 1.00 71.55 H new ATOM 0 HB3 PHE A 76 -3.744 25.055 -14.183 1.00 71.55 H new ATOM 0 HD1 PHE A 76 -6.498 24.912 -14.536 1.00 24.22 H new ATOM 0 HD2 PHE A 76 -3.809 21.638 -14.096 1.00 23.40 H new ATOM 0 HE1 PHE A 76 -8.341 23.512 -13.711 1.00 51.14 H new ATOM 0 HE2 PHE A 76 -5.650 20.235 -13.273 1.00 52.15 H new ATOM 0 HZ PHE A 76 -7.919 21.171 -13.075 1.00 72.33 H new ATOM 1182 N THR A 77 -1.955 24.840 -17.325 1.00 53.21 N ATOM 1183 CA THR A 77 -0.727 25.452 -17.817 1.00 75.24 C ATOM 1184 C THR A 77 -1.014 26.410 -18.968 1.00 5.55 C ATOM 1185 O THR A 77 -0.388 27.464 -19.080 1.00 1.24 O ATOM 1186 CB THR A 77 0.280 24.387 -18.290 1.00 43.11 C ATOM 1187 OG1 THR A 77 0.687 23.573 -17.185 1.00 23.13 O ATOM 1188 CG2 THR A 77 1.500 25.040 -18.922 1.00 64.42 C ATOM 0 H THR A 77 -2.007 23.830 -17.461 1.00 53.21 H new ATOM 0 HA THR A 77 -0.294 26.007 -16.985 1.00 75.24 H new ATOM 0 HB THR A 77 -0.208 23.764 -19.039 1.00 43.11 H new ATOM 0 HG1 THR A 77 -0.022 22.930 -16.974 1.00 23.13 H new ATOM 0 HG21 THR A 77 2.197 24.269 -19.249 1.00 64.42 H new ATOM 0 HG22 THR A 77 1.190 25.636 -19.780 1.00 64.42 H new ATOM 0 HG23 THR A 77 1.988 25.684 -18.190 1.00 64.42 H new ATOM 1196 N MET A 78 -1.963 26.038 -19.820 1.00 10.33 N ATOM 1197 CA MET A 78 -2.333 26.867 -20.961 1.00 2.51 C ATOM 1198 C MET A 78 -2.982 28.169 -20.500 1.00 20.40 C ATOM 1199 O MET A 78 -2.599 29.254 -20.937 1.00 22.12 O ATOM 1200 CB MET A 78 -3.287 26.107 -21.883 1.00 72.44 C ATOM 1201 CG MET A 78 -2.577 25.232 -22.904 1.00 35.31 C ATOM 1202 SD MET A 78 -2.387 26.044 -24.502 1.00 73.14 S ATOM 1203 CE MET A 78 -0.691 26.608 -24.396 1.00 3.22 C ATOM 0 H MET A 78 -2.490 25.168 -19.742 1.00 10.33 H new ATOM 0 HA MET A 78 -1.424 27.110 -21.511 1.00 2.51 H new ATOM 0 HB2 MET A 78 -3.945 25.484 -21.277 1.00 72.44 H new ATOM 0 HB3 MET A 78 -3.920 26.823 -22.408 1.00 72.44 H new ATOM 0 HG2 MET A 78 -1.594 24.958 -22.521 1.00 35.31 H new ATOM 0 HG3 MET A 78 -3.137 24.306 -23.036 1.00 35.31 H new ATOM 0 HE1 MET A 78 -0.361 26.955 -25.375 1.00 3.22 H new ATOM 0 HE2 MET A 78 -0.624 27.426 -23.679 1.00 3.22 H new ATOM 0 HE3 MET A 78 -0.054 25.786 -24.069 1.00 3.22 H new ATOM 1213 N VAL A 79 -3.967 28.052 -19.615 1.00 51.30 N ATOM 1214 CA VAL A 79 -4.669 29.220 -19.094 1.00 62.55 C ATOM 1215 C VAL A 79 -3.691 30.238 -18.521 1.00 5.24 C ATOM 1216 O VAL A 79 -3.845 31.444 -18.719 1.00 42.04 O ATOM 1217 CB VAL A 79 -5.681 28.825 -18.003 1.00 13.01 C ATOM 1218 CG1 VAL A 79 -6.076 30.040 -17.177 1.00 34.52 C ATOM 1219 CG2 VAL A 79 -6.906 28.171 -18.624 1.00 53.23 C ATOM 0 H VAL A 79 -4.297 27.161 -19.244 1.00 51.30 H new ATOM 0 HA VAL A 79 -5.205 29.667 -19.931 1.00 62.55 H new ATOM 0 HB VAL A 79 -5.209 28.101 -17.339 1.00 13.01 H new ATOM 0 HG11 VAL A 79 -6.792 29.742 -16.411 1.00 34.52 H new ATOM 0 HG12 VAL A 79 -5.190 30.461 -16.702 1.00 34.52 H new ATOM 0 HG13 VAL A 79 -6.530 30.789 -17.826 1.00 34.52 H new ATOM 0 HG21 VAL A 79 -7.611 27.898 -17.838 1.00 53.23 H new ATOM 0 HG22 VAL A 79 -7.382 28.870 -19.312 1.00 53.23 H new ATOM 0 HG23 VAL A 79 -6.604 27.276 -19.167 1.00 53.23 H new ATOM 1229 N LEU A 80 -2.683 29.746 -17.808 1.00 51.31 N ATOM 1230 CA LEU A 80 -1.677 30.614 -17.205 1.00 34.24 C ATOM 1231 C LEU A 80 -0.716 31.150 -18.261 1.00 32.23 C ATOM 1232 O LEU A 80 -0.454 32.351 -18.324 1.00 24.10 O ATOM 1233 CB LEU A 80 -0.899 29.854 -16.129 1.00 12.01 C ATOM 1234 CG LEU A 80 0.017 30.697 -15.241 1.00 53.53 C ATOM 1235 CD1 LEU A 80 -0.716 31.137 -13.983 1.00 70.21 C ATOM 1236 CD2 LEU A 80 1.276 29.921 -14.884 1.00 13.11 C ATOM 0 H LEU A 80 -2.541 28.751 -17.633 1.00 51.31 H new ATOM 0 HA LEU A 80 -2.190 31.459 -16.746 1.00 34.24 H new ATOM 0 HB2 LEU A 80 -1.614 29.335 -15.490 1.00 12.01 H new ATOM 0 HB3 LEU A 80 -0.295 29.090 -16.618 1.00 12.01 H new ATOM 0 HG LEU A 80 0.310 31.588 -15.796 1.00 53.53 H new ATOM 0 HD11 LEU A 80 -0.048 31.736 -13.363 1.00 70.21 H new ATOM 0 HD12 LEU A 80 -1.587 31.732 -14.259 1.00 70.21 H new ATOM 0 HD13 LEU A 80 -1.039 30.259 -13.424 1.00 70.21 H new ATOM 0 HD21 LEU A 80 1.916 30.537 -14.252 1.00 13.11 H new ATOM 0 HD22 LEU A 80 1.003 29.012 -14.348 1.00 13.11 H new ATOM 0 HD23 LEU A 80 1.812 29.658 -15.796 1.00 13.11 H new ATOM 1248 N VAL A 81 -0.195 30.251 -19.090 1.00 54.02 N ATOM 1249 CA VAL A 81 0.734 30.634 -20.146 1.00 62.33 C ATOM 1250 C VAL A 81 0.159 31.754 -21.005 1.00 42.40 C ATOM 1251 O VAL A 81 0.824 32.759 -21.262 1.00 72.10 O ATOM 1252 CB VAL A 81 1.081 29.436 -21.050 1.00 71.40 C ATOM 1253 CG1 VAL A 81 1.664 29.914 -22.371 1.00 5.03 C ATOM 1254 CG2 VAL A 81 2.044 28.495 -20.341 1.00 43.44 C ATOM 0 H VAL A 81 -0.401 29.253 -19.051 1.00 54.02 H new ATOM 0 HA VAL A 81 1.642 30.986 -19.656 1.00 62.33 H new ATOM 0 HB VAL A 81 0.164 28.887 -21.264 1.00 71.40 H new ATOM 0 HG11 VAL A 81 1.903 29.053 -22.996 1.00 5.03 H new ATOM 0 HG12 VAL A 81 0.936 30.544 -22.883 1.00 5.03 H new ATOM 0 HG13 VAL A 81 2.571 30.488 -22.182 1.00 5.03 H new ATOM 0 HG21 VAL A 81 2.278 27.654 -20.994 1.00 43.44 H new ATOM 0 HG22 VAL A 81 2.961 29.030 -20.095 1.00 43.44 H new ATOM 0 HG23 VAL A 81 1.583 28.125 -19.425 1.00 43.44 H new ATOM 1264 N THR A 82 -1.082 31.577 -21.447 1.00 60.41 N ATOM 1265 CA THR A 82 -1.747 32.572 -22.278 1.00 13.11 C ATOM 1266 C THR A 82 -1.740 33.941 -21.608 1.00 2.32 C ATOM 1267 O THR A 82 -1.246 34.917 -22.173 1.00 5.34 O ATOM 1268 CB THR A 82 -3.203 32.169 -22.580 1.00 40.34 C ATOM 1269 OG1 THR A 82 -3.251 30.813 -23.037 1.00 51.03 O ATOM 1270 CG2 THR A 82 -3.811 33.086 -23.631 1.00 61.35 C ATOM 0 H THR A 82 -1.647 30.753 -21.243 1.00 60.41 H new ATOM 0 HA THR A 82 -1.191 32.625 -23.214 1.00 13.11 H new ATOM 0 HB THR A 82 -3.781 32.263 -21.661 1.00 40.34 H new ATOM 0 HG1 THR A 82 -3.288 30.209 -22.266 1.00 51.03 H new ATOM 0 HG21 THR A 82 -4.839 32.782 -23.828 1.00 61.35 H new ATOM 0 HG22 THR A 82 -3.799 34.114 -23.268 1.00 61.35 H new ATOM 0 HG23 THR A 82 -3.231 33.020 -24.551 1.00 61.35 H new ATOM 1278 N PHE A 83 -2.290 34.007 -20.400 1.00 30.20 N ATOM 1279 CA PHE A 83 -2.347 35.258 -19.653 1.00 22.34 C ATOM 1280 C PHE A 83 -0.947 35.827 -19.437 1.00 74.41 C ATOM 1281 O PHE A 83 -0.775 37.035 -19.276 1.00 22.43 O ATOM 1282 CB PHE A 83 -3.034 35.039 -18.303 1.00 52.41 C ATOM 1283 CG PHE A 83 -4.109 36.047 -18.008 1.00 25.43 C ATOM 1284 CD1 PHE A 83 -5.179 36.211 -18.872 1.00 31.23 C ATOM 1285 CD2 PHE A 83 -4.047 36.830 -16.866 1.00 74.41 C ATOM 1286 CE1 PHE A 83 -6.170 37.136 -18.603 1.00 3.54 C ATOM 1287 CE2 PHE A 83 -5.035 37.756 -16.592 1.00 12.53 C ATOM 1288 CZ PHE A 83 -6.097 37.911 -17.462 1.00 1.05 C ATOM 0 H PHE A 83 -2.703 33.209 -19.918 1.00 30.20 H new ATOM 0 HA PHE A 83 -2.926 35.975 -20.236 1.00 22.34 H new ATOM 0 HB2 PHE A 83 -3.469 34.040 -18.283 1.00 52.41 H new ATOM 0 HB3 PHE A 83 -2.285 35.077 -17.512 1.00 52.41 H new ATOM 0 HD1 PHE A 83 -5.240 35.609 -19.767 1.00 31.23 H new ATOM 0 HD2 PHE A 83 -3.218 36.715 -16.183 1.00 74.41 H new ATOM 0 HE1 PHE A 83 -7.000 37.253 -19.284 1.00 3.54 H new ATOM 0 HE2 PHE A 83 -4.977 38.359 -15.698 1.00 12.53 H new ATOM 0 HZ PHE A 83 -6.868 38.637 -17.250 1.00 1.05 H new ATOM 1298 N SER A 84 0.049 34.947 -19.435 1.00 72.45 N ATOM 1299 CA SER A 84 1.433 35.359 -19.235 1.00 50.45 C ATOM 1300 C SER A 84 1.962 36.099 -20.461 1.00 14.45 C ATOM 1301 O SER A 84 2.764 37.026 -20.341 1.00 62.40 O ATOM 1302 CB SER A 84 2.313 34.143 -18.942 1.00 32.24 C ATOM 1303 OG SER A 84 3.431 34.502 -18.148 1.00 71.33 O ATOM 0 H SER A 84 -0.077 33.944 -19.570 1.00 72.45 H new ATOM 0 HA SER A 84 1.464 36.035 -18.381 1.00 50.45 H new ATOM 0 HB2 SER A 84 1.727 33.382 -18.427 1.00 32.24 H new ATOM 0 HB3 SER A 84 2.655 33.703 -19.879 1.00 32.24 H new ATOM 0 HG SER A 84 3.977 33.707 -17.973 1.00 71.33 H new ATOM 1309 N ILE A 85 1.506 35.684 -21.637 1.00 75.23 N ATOM 1310 CA ILE A 85 1.931 36.307 -22.884 1.00 51.23 C ATOM 1311 C ILE A 85 1.366 37.718 -23.014 1.00 62.33 C ATOM 1312 O ILE A 85 2.058 38.637 -23.451 1.00 3.40 O ATOM 1313 CB ILE A 85 1.495 35.477 -24.106 1.00 52.10 C ATOM 1314 CG1 ILE A 85 2.147 34.093 -24.069 1.00 15.33 C ATOM 1315 CG2 ILE A 85 1.853 36.203 -25.394 1.00 70.44 C ATOM 1316 CD1 ILE A 85 3.645 34.125 -24.276 1.00 55.02 C ATOM 0 H ILE A 85 0.842 34.919 -21.753 1.00 75.23 H new ATOM 0 HA ILE A 85 3.020 36.355 -22.858 1.00 51.23 H new ATOM 0 HB ILE A 85 0.413 35.349 -24.073 1.00 52.10 H new ATOM 0 HG12 ILE A 85 1.931 33.624 -23.109 1.00 15.33 H new ATOM 0 HG13 ILE A 85 1.695 33.467 -24.838 1.00 15.33 H new ATOM 0 HG21 ILE A 85 1.539 35.604 -26.249 1.00 70.44 H new ATOM 0 HG22 ILE A 85 1.346 37.168 -25.421 1.00 70.44 H new ATOM 0 HG23 ILE A 85 2.931 36.358 -25.437 1.00 70.44 H new ATOM 0 HD11 ILE A 85 4.039 33.110 -24.237 1.00 55.02 H new ATOM 0 HD12 ILE A 85 3.869 34.564 -25.248 1.00 55.02 H new ATOM 0 HD13 ILE A 85 4.108 34.724 -23.492 1.00 55.02 H new ATOM 1328 N VAL A 86 0.104 37.882 -22.631 1.00 21.24 N ATOM 1329 CA VAL A 86 -0.554 39.181 -22.701 1.00 43.03 C ATOM 1330 C VAL A 86 0.115 40.187 -21.771 1.00 32.22 C ATOM 1331 O VAL A 86 0.356 41.334 -22.148 1.00 1.11 O ATOM 1332 CB VAL A 86 -2.047 39.075 -22.337 1.00 65.22 C ATOM 1333 CG1 VAL A 86 -2.680 40.456 -22.273 1.00 12.11 C ATOM 1334 CG2 VAL A 86 -2.777 38.190 -23.337 1.00 4.35 C ATOM 0 H VAL A 86 -0.483 37.131 -22.269 1.00 21.24 H new ATOM 0 HA VAL A 86 -0.463 39.526 -23.731 1.00 43.03 H new ATOM 0 HB VAL A 86 -2.132 38.617 -21.351 1.00 65.22 H new ATOM 0 HG11 VAL A 86 -3.735 40.361 -22.015 1.00 12.11 H new ATOM 0 HG12 VAL A 86 -2.173 41.054 -21.516 1.00 12.11 H new ATOM 0 HG13 VAL A 86 -2.587 40.944 -23.243 1.00 12.11 H new ATOM 0 HG21 VAL A 86 -3.831 38.126 -23.065 1.00 4.35 H new ATOM 0 HG22 VAL A 86 -2.685 38.617 -24.336 1.00 4.35 H new ATOM 0 HG23 VAL A 86 -2.339 37.192 -23.328 1.00 4.35 H new ATOM 1344 N THR A 87 0.413 39.749 -20.551 1.00 50.33 N ATOM 1345 CA THR A 87 1.053 40.611 -19.566 1.00 24.14 C ATOM 1346 C THR A 87 2.513 40.866 -19.924 1.00 11.11 C ATOM 1347 O THR A 87 3.067 41.916 -19.599 1.00 23.12 O ATOM 1348 CB THR A 87 0.983 39.999 -18.154 1.00 33.41 C ATOM 1349 OG1 THR A 87 1.458 38.648 -18.181 1.00 75.04 O ATOM 1350 CG2 THR A 87 -0.442 40.030 -17.621 1.00 62.01 C ATOM 0 H THR A 87 0.221 38.803 -20.222 1.00 50.33 H new ATOM 0 HA THR A 87 0.509 41.556 -19.573 1.00 24.14 H new ATOM 0 HB THR A 87 1.615 40.593 -17.493 1.00 33.41 H new ATOM 0 HG1 THR A 87 0.737 38.053 -18.475 1.00 75.04 H new ATOM 0 HG21 THR A 87 -0.467 39.593 -16.623 1.00 62.01 H new ATOM 0 HG22 THR A 87 -0.790 41.062 -17.574 1.00 62.01 H new ATOM 0 HG23 THR A 87 -1.091 39.458 -18.284 1.00 62.01 H new ATOM 1358 N SER A 88 3.130 39.900 -20.596 1.00 60.14 N ATOM 1359 CA SER A 88 4.527 40.019 -20.997 1.00 2.24 C ATOM 1360 C SER A 88 4.737 41.248 -21.877 1.00 21.43 C ATOM 1361 O SER A 88 5.566 42.107 -21.576 1.00 62.31 O ATOM 1362 CB SER A 88 4.975 38.761 -21.742 1.00 63.14 C ATOM 1363 OG SER A 88 5.622 37.853 -20.868 1.00 33.54 O ATOM 0 H SER A 88 2.685 39.026 -20.874 1.00 60.14 H new ATOM 0 HA SER A 88 5.130 40.132 -20.096 1.00 2.24 H new ATOM 0 HB2 SER A 88 4.111 38.278 -22.198 1.00 63.14 H new ATOM 0 HB3 SER A 88 5.651 39.036 -22.552 1.00 63.14 H new ATOM 0 HG SER A 88 4.952 37.289 -20.428 1.00 33.54 H new ATOM 1369 N VAL A 89 3.979 41.324 -22.966 1.00 64.32 N ATOM 1370 CA VAL A 89 4.080 42.447 -23.891 1.00 24.43 C ATOM 1371 C VAL A 89 3.435 43.699 -23.307 1.00 63.32 C ATOM 1372 O VAL A 89 3.758 44.819 -23.705 1.00 24.33 O ATOM 1373 CB VAL A 89 3.416 42.123 -25.242 1.00 62.51 C ATOM 1374 CG1 VAL A 89 4.075 40.911 -25.884 1.00 42.32 C ATOM 1375 CG2 VAL A 89 1.923 41.894 -25.060 1.00 63.22 C ATOM 0 H VAL A 89 3.288 40.621 -23.230 1.00 64.32 H new ATOM 0 HA VAL A 89 5.142 42.630 -24.052 1.00 24.43 H new ATOM 0 HB VAL A 89 3.551 42.976 -25.908 1.00 62.51 H new ATOM 0 HG11 VAL A 89 3.593 40.697 -26.838 1.00 42.32 H new ATOM 0 HG12 VAL A 89 5.132 41.117 -26.050 1.00 42.32 H new ATOM 0 HG13 VAL A 89 3.973 40.049 -25.224 1.00 42.32 H new ATOM 0 HG21 VAL A 89 1.470 41.666 -26.025 1.00 63.22 H new ATOM 0 HG22 VAL A 89 1.763 41.059 -24.378 1.00 63.22 H new ATOM 0 HG23 VAL A 89 1.465 42.793 -24.647 1.00 63.22 H new ATOM 1385 N CYS A 90 2.523 43.502 -22.362 1.00 72.53 N ATOM 1386 CA CYS A 90 1.831 44.615 -21.723 1.00 41.41 C ATOM 1387 C CYS A 90 2.820 45.531 -21.009 1.00 14.23 C ATOM 1388 O CYS A 90 2.715 46.755 -21.085 1.00 14.51 O ATOM 1389 CB CYS A 90 0.791 44.095 -20.730 1.00 73.45 C ATOM 1390 SG CYS A 90 -0.005 45.388 -19.748 1.00 64.33 S ATOM 0 H CYS A 90 2.245 42.582 -22.021 1.00 72.53 H new ATOM 0 HA CYS A 90 1.325 45.190 -22.499 1.00 41.41 H new ATOM 0 HB2 CYS A 90 0.025 43.546 -21.277 1.00 73.45 H new ATOM 0 HB3 CYS A 90 1.271 43.386 -20.056 1.00 73.45 H new ATOM 0 HG CYS A 90 -0.869 44.849 -18.940 1.00 64.33 H new ATOM 1396 N VAL A 91 3.779 44.930 -20.313 1.00 21.43 N ATOM 1397 CA VAL A 91 4.787 45.691 -19.584 1.00 35.24 C ATOM 1398 C VAL A 91 5.844 46.249 -20.529 1.00 24.21 C ATOM 1399 O VAL A 91 6.247 47.407 -20.414 1.00 11.33 O ATOM 1400 CB VAL A 91 5.476 44.826 -18.512 1.00 4.13 C ATOM 1401 CG1 VAL A 91 6.809 45.438 -18.108 1.00 42.12 C ATOM 1402 CG2 VAL A 91 4.571 44.655 -17.302 1.00 14.24 C ATOM 0 H VAL A 91 3.879 43.918 -20.238 1.00 21.43 H new ATOM 0 HA VAL A 91 4.269 46.517 -19.096 1.00 35.24 H new ATOM 0 HB VAL A 91 5.669 43.840 -18.935 1.00 4.13 H new ATOM 0 HG11 VAL A 91 7.281 44.813 -17.350 1.00 42.12 H new ATOM 0 HG12 VAL A 91 7.459 45.503 -18.981 1.00 42.12 H new ATOM 0 HG13 VAL A 91 6.643 46.437 -17.704 1.00 42.12 H new ATOM 0 HG21 VAL A 91 5.074 44.041 -16.555 1.00 14.24 H new ATOM 0 HG22 VAL A 91 4.345 45.632 -16.876 1.00 14.24 H new ATOM 0 HG23 VAL A 91 3.644 44.169 -17.607 1.00 14.24 H new ATOM 1412 N LEU A 92 6.291 45.418 -21.464 1.00 43.12 N ATOM 1413 CA LEU A 92 7.303 45.828 -22.432 1.00 1.32 C ATOM 1414 C LEU A 92 6.885 47.109 -23.147 1.00 1.33 C ATOM 1415 O LEU A 92 7.637 48.082 -23.187 1.00 54.42 O ATOM 1416 CB LEU A 92 7.541 44.715 -23.453 1.00 61.04 C ATOM 1417 CG LEU A 92 8.969 44.586 -23.985 1.00 52.25 C ATOM 1418 CD1 LEU A 92 9.898 44.067 -22.900 1.00 23.14 C ATOM 1419 CD2 LEU A 92 9.004 43.673 -25.202 1.00 63.11 C ATOM 0 H LEU A 92 5.969 44.456 -21.573 1.00 43.12 H new ATOM 0 HA LEU A 92 8.230 46.021 -21.892 1.00 1.32 H new ATOM 0 HB2 LEU A 92 7.257 43.766 -22.999 1.00 61.04 H new ATOM 0 HB3 LEU A 92 6.873 44.876 -24.299 1.00 61.04 H new ATOM 0 HG LEU A 92 9.314 45.575 -24.287 1.00 52.25 H new ATOM 0 HD11 LEU A 92 10.909 43.982 -23.297 1.00 23.14 H new ATOM 0 HD12 LEU A 92 9.896 44.759 -22.058 1.00 23.14 H new ATOM 0 HD13 LEU A 92 9.556 43.088 -22.566 1.00 23.14 H new ATOM 0 HD21 LEU A 92 10.028 43.593 -25.567 1.00 63.11 H new ATOM 0 HD22 LEU A 92 8.639 42.684 -24.925 1.00 63.11 H new ATOM 0 HD23 LEU A 92 8.370 44.088 -25.986 1.00 63.11 H new ATOM 1632 N GLY A 108 2.126 51.040 -9.217 1.00 75.53 N ATOM 1633 CA GLY A 108 2.300 49.760 -8.556 1.00 21.40 C ATOM 1634 C GLY A 108 1.664 48.618 -9.325 1.00 4.32 C ATOM 1635 O GLY A 108 1.588 47.494 -8.829 1.00 33.14 O ATOM 0 HA2 GLY A 108 3.364 49.561 -8.431 1.00 21.40 H new ATOM 0 HA3 GLY A 108 1.865 49.808 -7.558 1.00 21.40 H new ATOM 1639 N ILE A 109 1.206 48.907 -10.538 1.00 42.11 N ATOM 1640 CA ILE A 109 0.573 47.896 -11.376 1.00 5.02 C ATOM 1641 C ILE A 109 1.441 46.646 -11.479 1.00 41.33 C ATOM 1642 O ILE A 109 0.959 45.527 -11.302 1.00 44.25 O ATOM 1643 CB ILE A 109 0.295 48.432 -12.792 1.00 53.53 C ATOM 1644 CG1 ILE A 109 -0.168 47.298 -13.709 1.00 42.10 C ATOM 1645 CG2 ILE A 109 1.537 49.105 -13.358 1.00 33.11 C ATOM 1646 CD1 ILE A 109 -1.440 46.625 -13.243 1.00 24.12 C ATOM 0 H ILE A 109 1.261 49.833 -10.963 1.00 42.11 H new ATOM 0 HA ILE A 109 -0.374 47.640 -10.901 1.00 5.02 H new ATOM 0 HB ILE A 109 -0.501 49.174 -12.733 1.00 53.53 H new ATOM 0 HG12 ILE A 109 -0.323 47.694 -14.713 1.00 42.10 H new ATOM 0 HG13 ILE A 109 0.624 46.552 -13.779 1.00 42.10 H new ATOM 0 HG21 ILE A 109 1.324 49.479 -14.360 1.00 33.11 H new ATOM 0 HG22 ILE A 109 1.826 49.936 -12.715 1.00 33.11 H new ATOM 0 HG23 ILE A 109 2.352 48.383 -13.406 1.00 33.11 H new ATOM 0 HD11 ILE A 109 -1.709 45.832 -13.941 1.00 24.12 H new ATOM 0 HD12 ILE A 109 -1.284 46.199 -12.252 1.00 24.12 H new ATOM 0 HD13 ILE A 109 -2.245 47.359 -13.200 1.00 24.12 H new ATOM 1658 N ASP A 110 2.723 46.845 -11.765 1.00 41.00 N ATOM 1659 CA ASP A 110 3.660 45.734 -11.889 1.00 51.32 C ATOM 1660 C ASP A 110 3.937 45.102 -10.529 1.00 11.44 C ATOM 1661 O ASP A 110 4.373 43.954 -10.444 1.00 11.22 O ATOM 1662 CB ASP A 110 4.969 46.212 -12.520 1.00 21.53 C ATOM 1663 CG ASP A 110 5.865 45.061 -12.934 1.00 24.02 C ATOM 1664 OD1 ASP A 110 5.380 44.158 -13.647 1.00 41.41 O ATOM 1665 OD2 ASP A 110 7.052 45.063 -12.544 1.00 20.33 O ATOM 0 H ASP A 110 3.137 47.765 -11.915 1.00 41.00 H new ATOM 0 HA ASP A 110 3.209 44.980 -12.534 1.00 51.32 H new ATOM 0 HB2 ASP A 110 4.746 46.827 -13.392 1.00 21.53 H new ATOM 0 HB3 ASP A 110 5.501 46.846 -11.811 1.00 21.53 H new ATOM 1670 N ARG A 111 3.682 45.860 -9.467 1.00 12.10 N ATOM 1671 CA ARG A 111 3.906 45.375 -8.111 1.00 10.05 C ATOM 1672 C ARG A 111 2.816 44.390 -7.698 1.00 52.13 C ATOM 1673 O ARG A 111 3.100 43.338 -7.125 1.00 34.52 O ATOM 1674 CB ARG A 111 3.948 46.546 -7.128 1.00 0.54 C ATOM 1675 CG ARG A 111 4.897 47.658 -7.545 1.00 54.33 C ATOM 1676 CD ARG A 111 6.337 47.173 -7.593 1.00 71.03 C ATOM 1677 NE ARG A 111 7.257 48.127 -6.979 1.00 34.31 N ATOM 1678 CZ ARG A 111 8.579 48.010 -7.030 1.00 32.11 C ATOM 1679 NH1 ARG A 111 9.133 46.986 -7.664 1.00 42.01 N ATOM 1680 NH2 ARG A 111 9.349 48.919 -6.446 1.00 64.12 N ATOM 0 H ARG A 111 3.320 46.812 -9.520 1.00 12.10 H new ATOM 0 HA ARG A 111 4.865 44.858 -8.092 1.00 10.05 H new ATOM 0 HB2 ARG A 111 2.944 46.957 -7.023 1.00 0.54 H new ATOM 0 HB3 ARG A 111 4.245 46.175 -6.147 1.00 0.54 H new ATOM 0 HG2 ARG A 111 4.607 48.037 -8.525 1.00 54.33 H new ATOM 0 HG3 ARG A 111 4.815 48.489 -6.845 1.00 54.33 H new ATOM 0 HD2 ARG A 111 6.414 46.214 -7.080 1.00 71.03 H new ATOM 0 HD3 ARG A 111 6.628 47.004 -8.630 1.00 71.03 H new ATOM 0 HE ARG A 111 6.863 48.927 -6.484 1.00 34.31 H new ATOM 0 HH11 ARG A 111 8.544 46.286 -8.114 1.00 42.01 H new ATOM 0 HH12 ARG A 111 10.149 46.899 -7.702 1.00 42.01 H new ATOM 0 HH21 ARG A 111 8.926 49.708 -5.958 1.00 64.12 H new ATOM 0 HH22 ARG A 111 10.364 48.829 -6.485 1.00 64.12 H new ATOM 1694 N LEU A 112 1.568 44.739 -7.993 1.00 65.14 N ATOM 1695 CA LEU A 112 0.435 43.886 -7.653 1.00 52.04 C ATOM 1696 C LEU A 112 0.329 42.710 -8.620 1.00 13.55 C ATOM 1697 O LEU A 112 0.065 41.579 -8.211 1.00 1.31 O ATOM 1698 CB LEU A 112 -0.862 44.696 -7.674 1.00 15.41 C ATOM 1699 CG LEU A 112 -1.275 45.337 -6.348 1.00 21.41 C ATOM 1700 CD1 LEU A 112 -1.868 44.294 -5.413 1.00 70.33 C ATOM 1701 CD2 LEU A 112 -0.085 46.025 -5.695 1.00 52.23 C ATOM 0 H LEU A 112 1.316 45.606 -8.467 1.00 65.14 H new ATOM 0 HA LEU A 112 0.595 43.494 -6.649 1.00 52.04 H new ATOM 0 HB2 LEU A 112 -0.762 45.484 -8.420 1.00 15.41 H new ATOM 0 HB3 LEU A 112 -1.669 44.043 -8.006 1.00 15.41 H new ATOM 0 HG LEU A 112 -2.038 46.089 -6.552 1.00 21.41 H new ATOM 0 HD11 LEU A 112 -2.156 44.768 -4.475 1.00 70.33 H new ATOM 0 HD12 LEU A 112 -2.746 43.846 -5.878 1.00 70.33 H new ATOM 0 HD13 LEU A 112 -1.127 43.519 -5.215 1.00 70.33 H new ATOM 0 HD21 LEU A 112 -0.397 46.475 -4.753 1.00 52.23 H new ATOM 0 HD22 LEU A 112 0.699 45.292 -5.505 1.00 52.23 H new ATOM 0 HD23 LEU A 112 0.296 46.801 -6.359 1.00 52.23 H new ATOM 1713 N PHE A 113 0.538 42.985 -9.903 1.00 13.22 N ATOM 1714 CA PHE A 113 0.467 41.950 -10.928 1.00 10.14 C ATOM 1715 C PHE A 113 1.431 40.809 -10.616 1.00 10.23 C ATOM 1716 O PHE A 113 1.117 39.638 -10.836 1.00 4.44 O ATOM 1717 CB PHE A 113 0.786 42.541 -12.302 1.00 42.13 C ATOM 1718 CG PHE A 113 1.302 41.529 -13.285 1.00 3.02 C ATOM 1719 CD1 PHE A 113 0.475 40.526 -13.765 1.00 45.33 C ATOM 1720 CD2 PHE A 113 2.614 41.581 -13.728 1.00 71.52 C ATOM 1721 CE1 PHE A 113 0.948 39.593 -14.669 1.00 2.42 C ATOM 1722 CE2 PHE A 113 3.092 40.650 -14.632 1.00 2.50 C ATOM 1723 CZ PHE A 113 2.258 39.656 -15.104 1.00 13.24 C ATOM 0 H PHE A 113 0.758 43.916 -10.258 1.00 13.22 H new ATOM 0 HA PHE A 113 -0.548 41.552 -10.938 1.00 10.14 H new ATOM 0 HB2 PHE A 113 -0.114 43.003 -12.707 1.00 42.13 H new ATOM 0 HB3 PHE A 113 1.526 43.332 -12.185 1.00 42.13 H new ATOM 0 HD1 PHE A 113 -0.550 40.473 -13.429 1.00 45.33 H new ATOM 0 HD2 PHE A 113 3.270 42.357 -13.363 1.00 71.52 H new ATOM 0 HE1 PHE A 113 0.294 38.815 -15.035 1.00 2.42 H new ATOM 0 HE2 PHE A 113 4.117 40.700 -14.969 1.00 2.50 H new ATOM 0 HZ PHE A 113 2.629 38.929 -15.812 1.00 13.24 H new ATOM 1733 N LEU A 114 2.605 41.159 -10.103 1.00 24.32 N ATOM 1734 CA LEU A 114 3.617 40.165 -9.760 1.00 61.05 C ATOM 1735 C LEU A 114 3.166 39.313 -8.578 1.00 53.24 C ATOM 1736 O LEU A 114 3.298 38.089 -8.596 1.00 54.54 O ATOM 1737 CB LEU A 114 4.944 40.851 -9.432 1.00 10.51 C ATOM 1738 CG LEU A 114 6.054 40.699 -10.472 1.00 24.30 C ATOM 1739 CD1 LEU A 114 5.932 41.769 -11.545 1.00 14.40 C ATOM 1740 CD2 LEU A 114 7.421 40.763 -9.806 1.00 62.42 C ATOM 0 H LEU A 114 2.880 42.123 -9.915 1.00 24.32 H new ATOM 0 HA LEU A 114 3.756 39.512 -10.622 1.00 61.05 H new ATOM 0 HB2 LEU A 114 4.754 41.914 -9.286 1.00 10.51 H new ATOM 0 HB3 LEU A 114 5.308 40.459 -8.482 1.00 10.51 H new ATOM 0 HG LEU A 114 5.948 39.724 -10.947 1.00 24.30 H new ATOM 0 HD11 LEU A 114 6.731 41.644 -12.276 1.00 14.40 H new ATOM 0 HD12 LEU A 114 4.967 41.677 -12.043 1.00 14.40 H new ATOM 0 HD13 LEU A 114 6.011 42.755 -11.086 1.00 14.40 H new ATOM 0 HD21 LEU A 114 8.199 40.653 -10.561 1.00 62.42 H new ATOM 0 HD22 LEU A 114 7.536 41.723 -9.303 1.00 62.42 H new ATOM 0 HD23 LEU A 114 7.508 39.959 -9.076 1.00 62.42 H new ATOM 1752 N TRP A 115 2.631 39.968 -7.554 1.00 44.21 N ATOM 1753 CA TRP A 115 2.158 39.270 -6.364 1.00 50.41 C ATOM 1754 C TRP A 115 1.072 38.262 -6.721 1.00 32.44 C ATOM 1755 O TRP A 115 1.147 37.094 -6.337 1.00 72.21 O ATOM 1756 CB TRP A 115 1.624 40.272 -5.339 1.00 3.12 C ATOM 1757 CG TRP A 115 1.709 39.778 -3.926 1.00 51.32 C ATOM 1758 CD1 TRP A 115 1.301 38.562 -3.457 1.00 41.23 C ATOM 1759 CD2 TRP A 115 2.232 40.490 -2.799 1.00 40.14 C ATOM 1760 NE1 TRP A 115 1.539 38.475 -2.107 1.00 2.01 N ATOM 1761 CE2 TRP A 115 2.111 39.644 -1.679 1.00 54.35 C ATOM 1762 CE3 TRP A 115 2.793 41.758 -2.628 1.00 0.32 C ATOM 1763 CZ2 TRP A 115 2.529 40.028 -0.408 1.00 53.52 C ATOM 1764 CZ3 TRP A 115 3.207 42.138 -1.365 1.00 42.24 C ATOM 1765 CH2 TRP A 115 3.074 41.276 -0.269 1.00 62.31 C ATOM 0 H TRP A 115 2.514 40.981 -7.524 1.00 44.21 H new ATOM 0 HA TRP A 115 3.000 38.731 -5.930 1.00 50.41 H new ATOM 0 HB2 TRP A 115 2.184 41.203 -5.425 1.00 3.12 H new ATOM 0 HB3 TRP A 115 0.585 40.503 -5.574 1.00 3.12 H new ATOM 0 HD1 TRP A 115 0.857 37.783 -4.059 1.00 41.23 H new ATOM 0 HE1 TRP A 115 1.325 37.670 -1.518 1.00 2.01 H new ATOM 0 HE3 TRP A 115 2.901 42.429 -3.467 1.00 0.32 H new ATOM 0 HZ2 TRP A 115 2.427 39.365 0.438 1.00 53.52 H new ATOM 0 HZ3 TRP A 115 3.641 43.117 -1.221 1.00 42.24 H new ATOM 0 HH2 TRP A 115 3.408 41.602 0.705 1.00 62.31 H new ATOM 1776 N ILE A 116 0.064 38.719 -7.456 1.00 32.13 N ATOM 1777 CA ILE A 116 -1.037 37.855 -7.864 1.00 64.23 C ATOM 1778 C ILE A 116 -0.551 36.749 -8.795 1.00 42.12 C ATOM 1779 O ILE A 116 -1.186 35.701 -8.916 1.00 45.01 O ATOM 1780 CB ILE A 116 -2.148 38.654 -8.571 1.00 4.03 C ATOM 1781 CG1 ILE A 116 -1.611 39.289 -9.855 1.00 72.34 C ATOM 1782 CG2 ILE A 116 -2.707 39.720 -7.640 1.00 64.02 C ATOM 1783 CD1 ILE A 116 -2.652 40.074 -10.622 1.00 13.45 C ATOM 0 H ILE A 116 -0.013 39.683 -7.781 1.00 32.13 H new ATOM 0 HA ILE A 116 -1.443 37.410 -6.955 1.00 64.23 H new ATOM 0 HB ILE A 116 -2.955 37.971 -8.836 1.00 4.03 H new ATOM 0 HG12 ILE A 116 -0.781 39.950 -9.604 1.00 72.34 H new ATOM 0 HG13 ILE A 116 -1.211 38.505 -10.499 1.00 72.34 H new ATOM 0 HG21 ILE A 116 -3.491 40.277 -8.153 1.00 64.02 H new ATOM 0 HG22 ILE A 116 -3.122 39.245 -6.751 1.00 64.02 H new ATOM 0 HG23 ILE A 116 -1.909 40.403 -7.348 1.00 64.02 H new ATOM 0 HD11 ILE A 116 -2.201 40.496 -11.520 1.00 13.45 H new ATOM 0 HD12 ILE A 116 -3.472 39.413 -10.904 1.00 13.45 H new ATOM 0 HD13 ILE A 116 -3.035 40.880 -9.996 1.00 13.45 H new ATOM 1795 N PHE A 117 0.580 36.989 -9.451 1.00 1.25 N ATOM 1796 CA PHE A 117 1.152 36.013 -10.371 1.00 5.44 C ATOM 1797 C PHE A 117 1.793 34.857 -9.608 1.00 13.10 C ATOM 1798 O PHE A 117 1.649 33.694 -9.985 1.00 53.25 O ATOM 1799 CB PHE A 117 2.192 36.681 -11.274 1.00 34.22 C ATOM 1800 CG PHE A 117 2.792 35.749 -12.288 1.00 15.13 C ATOM 1801 CD1 PHE A 117 1.981 34.970 -13.098 1.00 12.34 C ATOM 1802 CD2 PHE A 117 4.166 35.652 -12.430 1.00 63.44 C ATOM 1803 CE1 PHE A 117 2.530 34.112 -14.032 1.00 14.11 C ATOM 1804 CE2 PHE A 117 4.721 34.796 -13.363 1.00 73.41 C ATOM 1805 CZ PHE A 117 3.901 34.024 -14.164 1.00 5.01 C ATOM 0 H PHE A 117 1.118 37.851 -9.362 1.00 1.25 H new ATOM 0 HA PHE A 117 0.346 35.616 -10.988 1.00 5.44 H new ATOM 0 HB2 PHE A 117 1.726 37.519 -11.793 1.00 34.22 H new ATOM 0 HB3 PHE A 117 2.989 37.093 -10.654 1.00 34.22 H new ATOM 0 HD1 PHE A 117 0.908 35.034 -12.998 1.00 12.34 H new ATOM 0 HD2 PHE A 117 4.811 36.252 -11.805 1.00 63.44 H new ATOM 0 HE1 PHE A 117 1.887 33.511 -14.658 1.00 14.11 H new ATOM 0 HE2 PHE A 117 5.794 34.731 -13.466 1.00 73.41 H new ATOM 0 HZ PHE A 117 4.332 33.353 -14.892 1.00 5.01 H new ATOM 1815 N VAL A 118 2.501 35.186 -8.532 1.00 62.23 N ATOM 1816 CA VAL A 118 3.164 34.176 -7.715 1.00 53.04 C ATOM 1817 C VAL A 118 2.148 33.336 -6.949 1.00 61.02 C ATOM 1818 O VAL A 118 2.431 32.203 -6.559 1.00 44.11 O ATOM 1819 CB VAL A 118 4.142 34.818 -6.714 1.00 64.21 C ATOM 1820 CG1 VAL A 118 5.050 33.761 -6.102 1.00 54.41 C ATOM 1821 CG2 VAL A 118 4.960 35.907 -7.392 1.00 62.54 C ATOM 0 H VAL A 118 2.630 36.144 -8.206 1.00 62.23 H new ATOM 0 HA VAL A 118 3.722 33.534 -8.396 1.00 53.04 H new ATOM 0 HB VAL A 118 3.564 35.276 -5.911 1.00 64.21 H new ATOM 0 HG11 VAL A 118 5.734 34.233 -5.397 1.00 54.41 H new ATOM 0 HG12 VAL A 118 4.445 33.020 -5.579 1.00 54.41 H new ATOM 0 HG13 VAL A 118 5.622 33.272 -6.891 1.00 54.41 H new ATOM 0 HG21 VAL A 118 5.646 36.350 -6.670 1.00 62.54 H new ATOM 0 HG22 VAL A 118 5.529 35.475 -8.215 1.00 62.54 H new ATOM 0 HG23 VAL A 118 4.292 36.677 -7.777 1.00 62.54 H new ATOM 1831 N PHE A 119 0.963 33.898 -6.737 1.00 51.51 N ATOM 1832 CA PHE A 119 -0.096 33.201 -6.017 1.00 12.42 C ATOM 1833 C PHE A 119 -0.700 32.094 -6.875 1.00 62.32 C ATOM 1834 O PHE A 119 -0.715 30.927 -6.483 1.00 24.13 O ATOM 1835 CB PHE A 119 -1.188 34.186 -5.594 1.00 0.43 C ATOM 1836 CG PHE A 119 -2.347 33.534 -4.896 1.00 24.53 C ATOM 1837 CD1 PHE A 119 -2.137 32.690 -3.817 1.00 4.24 C ATOM 1838 CD2 PHE A 119 -3.646 33.763 -5.319 1.00 61.32 C ATOM 1839 CE1 PHE A 119 -3.201 32.088 -3.172 1.00 3.11 C ATOM 1840 CE2 PHE A 119 -4.714 33.164 -4.678 1.00 62.21 C ATOM 1841 CZ PHE A 119 -4.491 32.324 -3.604 1.00 1.50 C ATOM 0 H PHE A 119 0.712 34.834 -7.054 1.00 51.51 H new ATOM 0 HA PHE A 119 0.341 32.749 -5.127 1.00 12.42 H new ATOM 0 HB2 PHE A 119 -0.753 34.937 -4.934 1.00 0.43 H new ATOM 0 HB3 PHE A 119 -1.554 34.711 -6.476 1.00 0.43 H new ATOM 0 HD1 PHE A 119 -1.130 32.500 -3.476 1.00 4.24 H new ATOM 0 HD2 PHE A 119 -3.826 34.417 -6.159 1.00 61.32 H new ATOM 0 HE1 PHE A 119 -3.024 31.434 -2.331 1.00 3.11 H new ATOM 0 HE2 PHE A 119 -5.722 33.352 -5.016 1.00 62.21 H new ATOM 0 HZ PHE A 119 -5.324 31.853 -3.103 1.00 1.50 H new ATOM 1851 N VAL A 120 -1.198 32.468 -8.049 1.00 62.04 N ATOM 1852 CA VAL A 120 -1.803 31.507 -8.965 1.00 5.54 C ATOM 1853 C VAL A 120 -0.854 30.349 -9.252 1.00 5.43 C ATOM 1854 O VAL A 120 -1.287 29.217 -9.469 1.00 52.32 O ATOM 1855 CB VAL A 120 -2.200 32.173 -10.295 1.00 44.55 C ATOM 1856 CG1 VAL A 120 -1.037 32.977 -10.858 1.00 53.41 C ATOM 1857 CG2 VAL A 120 -2.668 31.127 -11.295 1.00 54.23 C ATOM 0 H VAL A 120 -1.195 33.430 -8.389 1.00 62.04 H new ATOM 0 HA VAL A 120 -2.700 31.125 -8.477 1.00 5.54 H new ATOM 0 HB VAL A 120 -3.027 32.858 -10.106 1.00 44.55 H new ATOM 0 HG11 VAL A 120 -1.336 33.440 -11.798 1.00 53.41 H new ATOM 0 HG12 VAL A 120 -0.752 33.752 -10.146 1.00 53.41 H new ATOM 0 HG13 VAL A 120 -0.189 32.316 -11.034 1.00 53.41 H new ATOM 0 HG21 VAL A 120 -2.945 31.615 -12.229 1.00 54.23 H new ATOM 0 HG22 VAL A 120 -1.863 30.416 -11.481 1.00 54.23 H new ATOM 0 HG23 VAL A 120 -3.532 30.599 -10.892 1.00 54.23 H new ATOM 1867 N CYS A 121 0.443 30.640 -9.250 1.00 74.14 N ATOM 1868 CA CYS A 121 1.455 29.622 -9.511 1.00 55.34 C ATOM 1869 C CYS A 121 1.684 28.755 -8.278 1.00 73.41 C ATOM 1870 O CYS A 121 1.593 27.529 -8.343 1.00 63.40 O ATOM 1871 CB CYS A 121 2.768 30.278 -9.940 1.00 61.31 C ATOM 1872 SG CYS A 121 2.671 31.168 -11.511 1.00 71.41 S ATOM 0 H CYS A 121 0.818 31.571 -9.071 1.00 74.14 H new ATOM 0 HA CYS A 121 1.095 28.985 -10.319 1.00 55.34 H new ATOM 0 HB2 CYS A 121 3.087 30.971 -9.161 1.00 61.31 H new ATOM 0 HB3 CYS A 121 3.537 29.510 -10.017 1.00 61.31 H new ATOM 0 HG CYS A 121 2.244 32.377 -11.299 1.00 71.41 H new ATOM 1878 N VAL A 122 1.983 29.399 -7.155 1.00 13.23 N ATOM 1879 CA VAL A 122 2.226 28.687 -5.906 1.00 70.21 C ATOM 1880 C VAL A 122 1.063 27.761 -5.566 1.00 1.42 C ATOM 1881 O VAL A 122 1.264 26.602 -5.203 1.00 12.22 O ATOM 1882 CB VAL A 122 2.449 29.664 -4.737 1.00 22.04 C ATOM 1883 CG1 VAL A 122 2.228 28.963 -3.405 1.00 64.30 C ATOM 1884 CG2 VAL A 122 3.844 30.267 -4.806 1.00 11.41 C ATOM 0 H VAL A 122 2.063 30.413 -7.084 1.00 13.23 H new ATOM 0 HA VAL A 122 3.129 28.094 -6.051 1.00 70.21 H new ATOM 0 HB VAL A 122 1.723 30.473 -4.819 1.00 22.04 H new ATOM 0 HG11 VAL A 122 2.390 29.669 -2.591 1.00 64.30 H new ATOM 0 HG12 VAL A 122 1.207 28.584 -3.358 1.00 64.30 H new ATOM 0 HG13 VAL A 122 2.928 28.133 -3.310 1.00 64.30 H new ATOM 0 HG21 VAL A 122 3.985 30.955 -3.972 1.00 11.41 H new ATOM 0 HG22 VAL A 122 4.587 29.472 -4.749 1.00 11.41 H new ATOM 0 HG23 VAL A 122 3.961 30.807 -5.746 1.00 11.41 H new ATOM 1894 N PHE A 123 -0.154 28.281 -5.686 1.00 50.00 N ATOM 1895 CA PHE A 123 -1.351 27.502 -5.391 1.00 24.43 C ATOM 1896 C PHE A 123 -1.396 26.233 -6.237 1.00 24.52 C ATOM 1897 O PHE A 123 -1.599 25.135 -5.719 1.00 44.12 O ATOM 1898 CB PHE A 123 -2.606 28.340 -5.641 1.00 62.13 C ATOM 1899 CG PHE A 123 -3.881 27.550 -5.556 1.00 42.45 C ATOM 1900 CD1 PHE A 123 -4.491 27.325 -4.333 1.00 72.22 C ATOM 1901 CD2 PHE A 123 -4.469 27.034 -6.700 1.00 10.32 C ATOM 1902 CE1 PHE A 123 -5.664 26.598 -4.252 1.00 60.14 C ATOM 1903 CE2 PHE A 123 -5.642 26.307 -6.625 1.00 51.02 C ATOM 1904 CZ PHE A 123 -6.241 26.090 -5.400 1.00 22.51 C ATOM 0 H PHE A 123 -0.337 29.239 -5.986 1.00 50.00 H new ATOM 0 HA PHE A 123 -1.318 27.216 -4.340 1.00 24.43 H new ATOM 0 HB2 PHE A 123 -2.642 29.152 -4.915 1.00 62.13 H new ATOM 0 HB3 PHE A 123 -2.537 28.798 -6.628 1.00 62.13 H new ATOM 0 HD1 PHE A 123 -4.045 27.722 -3.433 1.00 72.22 H new ATOM 0 HD2 PHE A 123 -4.005 27.202 -7.661 1.00 10.32 H new ATOM 0 HE1 PHE A 123 -6.129 26.427 -3.292 1.00 60.14 H new ATOM 0 HE2 PHE A 123 -6.090 25.909 -7.524 1.00 51.02 H new ATOM 0 HZ PHE A 123 -7.159 25.524 -5.339 1.00 22.51 H new ATOM 1914 N GLY A 124 -1.205 26.392 -7.543 1.00 41.00 N ATOM 1915 CA GLY A 124 -1.228 25.252 -8.441 1.00 12.03 C ATOM 1916 C GLY A 124 -0.099 24.278 -8.170 1.00 62.12 C ATOM 1917 O GLY A 124 -0.334 23.091 -7.939 1.00 5.35 O ATOM 0 H GLY A 124 -1.035 27.290 -7.995 1.00 41.00 H new ATOM 0 HA2 GLY A 124 -2.182 24.734 -8.342 1.00 12.03 H new ATOM 0 HA3 GLY A 124 -1.162 25.603 -9.471 1.00 12.03 H new ATOM 1921 N THR A 125 1.133 24.778 -8.201 1.00 15.22 N ATOM 1922 CA THR A 125 2.303 23.944 -7.960 1.00 32.21 C ATOM 1923 C THR A 125 2.207 23.238 -6.612 1.00 41.20 C ATOM 1924 O THR A 125 2.157 22.010 -6.546 1.00 64.43 O ATOM 1925 CB THR A 125 3.601 24.771 -8.002 1.00 43.42 C ATOM 1926 OG1 THR A 125 3.429 25.991 -7.271 1.00 61.43 O ATOM 1927 CG2 THR A 125 3.996 25.086 -9.437 1.00 70.13 C ATOM 0 H THR A 125 1.346 25.757 -8.391 1.00 15.22 H new ATOM 0 HA THR A 125 2.329 23.200 -8.756 1.00 32.21 H new ATOM 0 HB THR A 125 4.396 24.182 -7.544 1.00 43.42 H new ATOM 0 HG1 THR A 125 3.027 26.668 -7.855 1.00 61.43 H new ATOM 0 HG21 THR A 125 4.916 25.671 -9.441 1.00 70.13 H new ATOM 0 HG22 THR A 125 4.155 24.156 -9.983 1.00 70.13 H new ATOM 0 HG23 THR A 125 3.201 25.657 -9.916 1.00 70.13 H new ATOM 1935 N ILE A 126 2.181 24.022 -5.540 1.00 12.34 N ATOM 1936 CA ILE A 126 2.089 23.471 -4.193 1.00 51.53 C ATOM 1937 C ILE A 126 0.869 22.568 -4.051 1.00 71.21 C ATOM 1938 O ILE A 126 0.899 21.577 -3.323 1.00 33.04 O ATOM 1939 CB ILE A 126 2.015 24.586 -3.133 1.00 34.01 C ATOM 1940 CG1 ILE A 126 3.264 25.466 -3.198 1.00 45.22 C ATOM 1941 CG2 ILE A 126 1.855 23.986 -1.744 1.00 72.21 C ATOM 1942 CD1 ILE A 126 4.552 24.705 -2.972 1.00 40.05 C ATOM 0 H ILE A 126 2.222 25.040 -5.577 1.00 12.34 H new ATOM 0 HA ILE A 126 2.993 22.885 -4.029 1.00 51.53 H new ATOM 0 HB ILE A 126 1.145 25.208 -3.342 1.00 34.01 H new ATOM 0 HG12 ILE A 126 3.305 25.953 -4.172 1.00 45.22 H new ATOM 0 HG13 ILE A 126 3.182 26.255 -2.451 1.00 45.22 H new ATOM 0 HG21 ILE A 126 1.804 24.786 -1.006 1.00 72.21 H new ATOM 0 HG22 ILE A 126 0.938 23.398 -1.705 1.00 72.21 H new ATOM 0 HG23 ILE A 126 2.708 23.344 -1.525 1.00 72.21 H new ATOM 0 HD11 ILE A 126 5.396 25.392 -3.032 1.00 40.05 H new ATOM 0 HD12 ILE A 126 4.532 24.240 -1.986 1.00 40.05 H new ATOM 0 HD13 ILE A 126 4.657 23.933 -3.735 1.00 40.05 H new ATOM 1954 N GLY A 127 -0.204 22.916 -4.755 1.00 13.34 N ATOM 1955 CA GLY A 127 -1.420 22.126 -4.694 1.00 63.55 C ATOM 1956 C GLY A 127 -1.184 20.672 -5.054 1.00 21.12 C ATOM 1957 O GLY A 127 -1.551 19.772 -4.299 1.00 24.11 O ATOM 0 H GLY A 127 -0.253 23.731 -5.366 1.00 13.34 H new ATOM 0 HA2 GLY A 127 -1.838 22.185 -3.689 1.00 63.55 H new ATOM 0 HA3 GLY A 127 -2.160 22.550 -5.373 1.00 63.55 H new ATOM 1961 N MET A 128 -0.571 20.442 -6.211 1.00 34.24 N ATOM 1962 CA MET A 128 -0.288 19.087 -6.668 1.00 60.54 C ATOM 1963 C MET A 128 0.954 18.529 -5.980 1.00 34.42 C ATOM 1964 O MET A 128 1.074 17.320 -5.779 1.00 72.21 O ATOM 1965 CB MET A 128 -0.096 19.068 -8.186 1.00 64.30 C ATOM 1966 CG MET A 128 1.052 19.943 -8.664 1.00 72.41 C ATOM 1967 SD MET A 128 1.181 19.998 -10.462 1.00 31.13 S ATOM 1968 CE MET A 128 -0.225 21.030 -10.870 1.00 63.05 C ATOM 0 H MET A 128 -0.261 21.176 -6.848 1.00 34.24 H new ATOM 0 HA MET A 128 -1.139 18.458 -6.408 1.00 60.54 H new ATOM 0 HB2 MET A 128 0.081 18.042 -8.509 1.00 64.30 H new ATOM 0 HB3 MET A 128 -1.018 19.398 -8.665 1.00 64.30 H new ATOM 0 HG2 MET A 128 0.916 20.955 -8.282 1.00 72.41 H new ATOM 0 HG3 MET A 128 1.987 19.568 -8.248 1.00 72.41 H new ATOM 0 HE1 MET A 128 -0.919 20.469 -11.496 1.00 63.05 H new ATOM 0 HE2 MET A 128 -0.730 21.336 -9.954 1.00 63.05 H new ATOM 0 HE3 MET A 128 0.117 21.914 -11.409 1.00 63.05 H new ATOM 1978 N PHE A 129 1.875 19.416 -5.620 1.00 53.44 N ATOM 1979 CA PHE A 129 3.108 19.012 -4.955 1.00 71.05 C ATOM 1980 C PHE A 129 2.824 18.506 -3.544 1.00 42.40 C ATOM 1981 O PHE A 129 3.675 17.876 -2.915 1.00 5.41 O ATOM 1982 CB PHE A 129 4.091 20.183 -4.902 1.00 1.12 C ATOM 1983 CG PHE A 129 5.490 19.775 -4.539 1.00 44.03 C ATOM 1984 CD1 PHE A 129 6.343 19.250 -5.497 1.00 21.21 C ATOM 1985 CD2 PHE A 129 5.953 19.917 -3.241 1.00 63.01 C ATOM 1986 CE1 PHE A 129 7.631 18.873 -5.166 1.00 32.23 C ATOM 1987 CE2 PHE A 129 7.240 19.542 -2.904 1.00 43.00 C ATOM 1988 CZ PHE A 129 8.080 19.020 -3.868 1.00 4.20 C ATOM 0 H PHE A 129 1.791 20.420 -5.778 1.00 53.44 H new ATOM 0 HA PHE A 129 3.553 18.200 -5.530 1.00 71.05 H new ATOM 0 HB2 PHE A 129 4.106 20.679 -5.873 1.00 1.12 H new ATOM 0 HB3 PHE A 129 3.734 20.914 -4.176 1.00 1.12 H new ATOM 0 HD1 PHE A 129 5.997 19.134 -6.514 1.00 21.21 H new ATOM 0 HD2 PHE A 129 5.301 20.326 -2.483 1.00 63.01 H new ATOM 0 HE1 PHE A 129 8.286 18.464 -5.921 1.00 32.23 H new ATOM 0 HE2 PHE A 129 7.588 19.657 -1.888 1.00 43.00 H new ATOM 0 HZ PHE A 129 9.086 18.727 -3.607 1.00 4.20 H new ATOM 1998 N LEU A 130 1.623 18.787 -3.052 1.00 53.20 N ATOM 1999 CA LEU A 130 1.225 18.362 -1.714 1.00 41.04 C ATOM 2000 C LEU A 130 0.692 16.933 -1.733 1.00 53.13 C ATOM 2001 O LEU A 130 0.307 16.391 -0.698 1.00 22.14 O ATOM 2002 CB LEU A 130 0.162 19.308 -1.152 1.00 24.30 C ATOM 2003 CG LEU A 130 0.553 20.083 0.107 1.00 53.44 C ATOM 2004 CD1 LEU A 130 0.057 21.519 0.024 1.00 23.11 C ATOM 2005 CD2 LEU A 130 0.002 19.398 1.348 1.00 35.42 C ATOM 0 H LEU A 130 0.907 19.307 -3.559 1.00 53.20 H new ATOM 0 HA LEU A 130 2.106 18.393 -1.072 1.00 41.04 H new ATOM 0 HB2 LEU A 130 -0.105 20.025 -1.928 1.00 24.30 H new ATOM 0 HB3 LEU A 130 -0.734 18.727 -0.934 1.00 24.30 H new ATOM 0 HG LEU A 130 1.641 20.098 0.178 1.00 53.44 H new ATOM 0 HD11 LEU A 130 0.344 22.056 0.928 1.00 23.11 H new ATOM 0 HD12 LEU A 130 0.500 22.007 -0.844 1.00 23.11 H new ATOM 0 HD13 LEU A 130 -1.029 21.524 -0.072 1.00 23.11 H new ATOM 0 HD21 LEU A 130 0.290 19.964 2.234 1.00 35.42 H new ATOM 0 HD22 LEU A 130 -1.085 19.351 1.285 1.00 35.42 H new ATOM 0 HD23 LEU A 130 0.405 18.388 1.415 1.00 35.42 H new