USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot 180:sc= 0.138 USER MOD Set 1.2: A 73 TYR OH : rot -2:sc= -0.36 USER MOD Set 1.3: A 121 CYS SG : rot 180:sc= 0 USER MOD Set 1.4: A 125 THR OG1 : rot 85:sc= 0.51 USER MOD Set 2.1: A 33 SER OG : rot -126:sc= 0.24 USER MOD Set 2.2: A 35 CYS SG : rot 180:sc= 0.165 USER MOD Set 3.1: A 10 TYR OH : rot 30:sc= -0.183 USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.0383 X(o=0.038,f=-0.047) USER MOD Single : A 22 THR OG1 : rot 160:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= -0.268 (180deg=-0.268) USER MOD Single : A 39 MET CE :methyl -134:sc= -0.0503 (180deg=-1.16) USER MOD Single : A 40 THR OG1 : rot 75:sc= 0.67 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 140:sc= -0.155 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0865 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 79:sc= 0.00644 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 84 SER OG : rot 87:sc= 0.204 USER MOD Single : A 87 THR OG1 : rot -83:sc= 1.13 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl -105:sc= -0.0872 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 9.643 4.855 -9.748 1.00 15.45 N ATOM 56 CA GLU A 6 9.590 4.998 -11.198 1.00 34.13 C ATOM 57 C GLU A 6 8.563 6.052 -11.604 1.00 30.53 C ATOM 58 O GLU A 6 8.879 7.040 -12.266 1.00 4.34 O ATOM 59 CB GLU A 6 9.247 3.658 -11.852 1.00 63.20 C ATOM 60 CG GLU A 6 8.440 3.794 -13.132 1.00 60.01 C ATOM 61 CD GLU A 6 8.406 2.511 -13.940 1.00 20.04 C ATOM 62 OE1 GLU A 6 8.379 1.424 -13.326 1.00 65.32 O ATOM 63 OE2 GLU A 6 8.406 2.595 -15.186 1.00 33.13 O ATOM 0 HA GLU A 6 10.572 5.322 -11.542 1.00 34.13 H new ATOM 0 HB2 GLU A 6 10.171 3.123 -12.070 1.00 63.20 H new ATOM 0 HB3 GLU A 6 8.687 3.050 -11.142 1.00 63.20 H new ATOM 0 HG2 GLU A 6 7.421 4.090 -12.885 1.00 60.01 H new ATOM 0 HG3 GLU A 6 8.865 4.592 -13.742 1.00 60.01 H new ATOM 70 N PRO A 7 7.303 5.836 -11.199 1.00 34.13 N ATOM 71 CA PRO A 7 6.203 6.755 -11.508 1.00 44.04 C ATOM 72 C PRO A 7 6.323 8.076 -10.756 1.00 60.01 C ATOM 73 O PRO A 7 5.736 9.084 -11.153 1.00 62.41 O ATOM 74 CB PRO A 7 4.960 5.989 -11.049 1.00 64.22 C ATOM 75 CG PRO A 7 5.457 5.056 -9.999 1.00 14.54 C ATOM 76 CD PRO A 7 6.854 4.678 -10.407 1.00 14.42 C ATOM 0 HA PRO A 7 6.185 7.029 -12.563 1.00 44.04 H new ATOM 0 HB2 PRO A 7 4.203 6.665 -10.652 1.00 64.22 H new ATOM 0 HB3 PRO A 7 4.501 5.447 -11.876 1.00 64.22 H new ATOM 0 HG2 PRO A 7 5.453 5.533 -9.019 1.00 14.54 H new ATOM 0 HG3 PRO A 7 4.820 4.175 -9.927 1.00 14.54 H new ATOM 0 HD2 PRO A 7 7.494 4.511 -9.541 1.00 14.42 H new ATOM 0 HD3 PRO A 7 6.867 3.760 -10.995 1.00 14.42 H new ATOM 84 N LEU A 8 7.086 8.065 -9.669 1.00 3.30 N ATOM 85 CA LEU A 8 7.284 9.264 -8.861 1.00 35.43 C ATOM 86 C LEU A 8 8.397 10.132 -9.438 1.00 14.43 C ATOM 87 O LEU A 8 8.531 11.304 -9.084 1.00 14.03 O ATOM 88 CB LEU A 8 7.616 8.880 -7.418 1.00 2.33 C ATOM 89 CG LEU A 8 6.584 9.279 -6.362 1.00 43.53 C ATOM 90 CD1 LEU A 8 6.469 10.793 -6.274 1.00 51.33 C ATOM 91 CD2 LEU A 8 5.232 8.657 -6.677 1.00 32.04 C ATOM 0 H LEU A 8 7.578 7.240 -9.326 1.00 3.30 H new ATOM 0 HA LEU A 8 6.358 9.839 -8.874 1.00 35.43 H new ATOM 0 HB2 LEU A 8 7.753 7.800 -7.373 1.00 2.33 H new ATOM 0 HB3 LEU A 8 8.571 9.334 -7.153 1.00 2.33 H new ATOM 0 HG LEU A 8 6.918 8.904 -5.395 1.00 43.53 H new ATOM 0 HD11 LEU A 8 5.730 11.058 -5.518 1.00 51.33 H new ATOM 0 HD12 LEU A 8 7.436 11.216 -6.001 1.00 51.33 H new ATOM 0 HD13 LEU A 8 6.158 11.191 -7.240 1.00 51.33 H new ATOM 0 HD21 LEU A 8 4.510 8.951 -5.916 1.00 32.04 H new ATOM 0 HD22 LEU A 8 4.891 9.002 -7.653 1.00 32.04 H new ATOM 0 HD23 LEU A 8 5.325 7.571 -6.688 1.00 32.04 H new ATOM 103 N PHE A 9 9.192 9.551 -10.330 1.00 12.13 N ATOM 104 CA PHE A 9 10.293 10.272 -10.957 1.00 52.53 C ATOM 105 C PHE A 9 9.779 11.208 -12.048 1.00 32.40 C ATOM 106 O PHE A 9 10.421 12.205 -12.379 1.00 75.22 O ATOM 107 CB PHE A 9 11.304 9.288 -11.549 1.00 2.25 C ATOM 108 CG PHE A 9 12.732 9.722 -11.379 1.00 41.14 C ATOM 109 CD1 PHE A 9 13.338 10.539 -12.321 1.00 20.42 C ATOM 110 CD2 PHE A 9 13.468 9.314 -10.279 1.00 24.00 C ATOM 111 CE1 PHE A 9 14.652 10.938 -12.168 1.00 1.51 C ATOM 112 CE2 PHE A 9 14.783 9.711 -10.121 1.00 11.15 C ATOM 113 CZ PHE A 9 15.375 10.525 -11.066 1.00 0.31 C ATOM 0 H PHE A 9 9.094 8.583 -10.635 1.00 12.13 H new ATOM 0 HA PHE A 9 10.785 10.871 -10.191 1.00 52.53 H new ATOM 0 HB2 PHE A 9 11.170 8.314 -11.078 1.00 2.25 H new ATOM 0 HB3 PHE A 9 11.095 9.160 -12.611 1.00 2.25 H new ATOM 0 HD1 PHE A 9 12.777 10.867 -13.184 1.00 20.42 H new ATOM 0 HD2 PHE A 9 13.009 8.678 -9.536 1.00 24.00 H new ATOM 0 HE1 PHE A 9 15.114 11.573 -12.910 1.00 1.51 H new ATOM 0 HE2 PHE A 9 15.346 9.385 -9.259 1.00 11.15 H new ATOM 0 HZ PHE A 9 16.401 10.838 -10.944 1.00 0.31 H new ATOM 123 N TYR A 10 8.618 10.878 -12.603 1.00 32.33 N ATOM 124 CA TYR A 10 8.018 11.685 -13.658 1.00 41.32 C ATOM 125 C TYR A 10 7.506 13.012 -13.105 1.00 64.21 C ATOM 126 O TYR A 10 7.863 14.083 -13.597 1.00 53.12 O ATOM 127 CB TYR A 10 6.872 10.922 -14.325 1.00 24.13 C ATOM 128 CG TYR A 10 5.721 11.806 -14.748 1.00 42.11 C ATOM 129 CD1 TYR A 10 5.819 12.616 -15.873 1.00 61.11 C ATOM 130 CD2 TYR A 10 4.536 11.833 -14.023 1.00 64.41 C ATOM 131 CE1 TYR A 10 4.770 13.426 -16.263 1.00 62.15 C ATOM 132 CE2 TYR A 10 3.482 12.638 -14.407 1.00 10.21 C ATOM 133 CZ TYR A 10 3.604 13.433 -15.527 1.00 53.25 C ATOM 134 OH TYR A 10 2.556 14.238 -15.912 1.00 42.32 O ATOM 0 H TYR A 10 8.074 10.057 -12.339 1.00 32.33 H new ATOM 0 HA TYR A 10 8.787 11.894 -14.401 1.00 41.32 H new ATOM 0 HB2 TYR A 10 7.257 10.397 -15.200 1.00 24.13 H new ATOM 0 HB3 TYR A 10 6.502 10.163 -13.635 1.00 24.13 H new ATOM 0 HD1 TYR A 10 6.731 12.612 -16.452 1.00 61.11 H new ATOM 0 HD2 TYR A 10 4.438 11.214 -13.144 1.00 64.41 H new ATOM 0 HE1 TYR A 10 4.863 14.050 -17.139 1.00 62.15 H new ATOM 0 HE2 TYR A 10 2.567 12.645 -13.833 1.00 10.21 H new ATOM 0 HH TYR A 10 2.571 14.351 -16.885 1.00 42.32 H new ATOM 144 N THR A 11 6.668 12.933 -12.077 1.00 34.44 N ATOM 145 CA THR A 11 6.105 14.125 -11.455 1.00 63.03 C ATOM 146 C THR A 11 7.205 15.055 -10.955 1.00 73.02 C ATOM 147 O THR A 11 7.099 16.276 -11.073 1.00 52.13 O ATOM 148 CB THR A 11 5.181 13.762 -10.278 1.00 54.10 C ATOM 149 OG1 THR A 11 4.712 14.954 -9.638 1.00 2.14 O ATOM 150 CG2 THR A 11 5.909 12.890 -9.267 1.00 31.32 C ATOM 0 H THR A 11 6.364 12.055 -11.657 1.00 34.44 H new ATOM 0 HA THR A 11 5.521 14.635 -12.221 1.00 63.03 H new ATOM 0 HB THR A 11 4.332 13.203 -10.671 1.00 54.10 H new ATOM 0 HG1 THR A 11 4.124 14.715 -8.892 1.00 2.14 H new ATOM 0 HG21 THR A 11 5.236 12.647 -8.445 1.00 31.32 H new ATOM 0 HG22 THR A 11 6.239 11.970 -9.750 1.00 31.32 H new ATOM 0 HG23 THR A 11 6.775 13.427 -8.880 1.00 31.32 H new ATOM 158 N ILE A 12 8.259 14.470 -10.397 1.00 44.25 N ATOM 159 CA ILE A 12 9.379 15.248 -9.881 1.00 62.33 C ATOM 160 C ILE A 12 10.073 16.020 -10.998 1.00 42.10 C ATOM 161 O ILE A 12 10.557 17.132 -10.790 1.00 33.13 O ATOM 162 CB ILE A 12 10.411 14.348 -9.176 1.00 45.22 C ATOM 163 CG1 ILE A 12 9.839 13.811 -7.863 1.00 23.31 C ATOM 164 CG2 ILE A 12 11.699 15.118 -8.924 1.00 25.54 C ATOM 165 CD1 ILE A 12 10.589 12.613 -7.322 1.00 40.24 C ATOM 0 H ILE A 12 8.361 13.461 -10.290 1.00 44.25 H new ATOM 0 HA ILE A 12 8.968 15.952 -9.157 1.00 62.33 H new ATOM 0 HB ILE A 12 10.637 13.502 -9.824 1.00 45.22 H new ATOM 0 HG12 ILE A 12 9.854 14.606 -7.117 1.00 23.31 H new ATOM 0 HG13 ILE A 12 8.795 13.537 -8.016 1.00 23.31 H new ATOM 0 HG21 ILE A 12 12.419 14.469 -8.425 1.00 25.54 H new ATOM 0 HG22 ILE A 12 12.113 15.456 -9.874 1.00 25.54 H new ATOM 0 HG23 ILE A 12 11.489 15.981 -8.292 1.00 25.54 H new ATOM 0 HD11 ILE A 12 10.128 12.286 -6.390 1.00 40.24 H new ATOM 0 HD12 ILE A 12 10.552 11.802 -8.049 1.00 40.24 H new ATOM 0 HD13 ILE A 12 11.628 12.887 -7.137 1.00 40.24 H new ATOM 177 N ASN A 13 10.117 15.423 -12.185 1.00 33.04 N ATOM 178 CA ASN A 13 10.750 16.056 -13.336 1.00 25.52 C ATOM 179 C ASN A 13 9.850 17.136 -13.927 1.00 72.44 C ATOM 180 O ASN A 13 10.299 17.974 -14.710 1.00 72.34 O ATOM 181 CB ASN A 13 11.079 15.009 -14.402 1.00 71.05 C ATOM 182 CG ASN A 13 12.535 14.586 -14.369 1.00 10.32 C ATOM 183 OD1 ASN A 13 13.435 15.406 -14.552 1.00 21.13 O ATOM 184 ND2 ASN A 13 12.772 13.301 -14.134 1.00 45.02 N ATOM 0 H ASN A 13 9.722 14.502 -12.375 1.00 33.04 H new ATOM 0 HA ASN A 13 11.675 16.525 -12.999 1.00 25.52 H new ATOM 0 HB2 ASN A 13 10.446 14.134 -14.255 1.00 71.05 H new ATOM 0 HB3 ASN A 13 10.843 15.411 -15.387 1.00 71.05 H new ATOM 0 HD21 ASN A 13 13.732 12.957 -14.099 1.00 45.02 H new ATOM 0 HD22 ASN A 13 11.994 12.657 -13.988 1.00 45.02 H new ATOM 191 N LEU A 14 8.577 17.110 -13.548 1.00 1.04 N ATOM 192 CA LEU A 14 7.612 18.087 -14.039 1.00 41.34 C ATOM 193 C LEU A 14 7.579 19.320 -13.141 1.00 61.33 C ATOM 194 O LEU A 14 7.260 20.420 -13.593 1.00 1.15 O ATOM 195 CB LEU A 14 6.218 17.462 -14.118 1.00 63.10 C ATOM 196 CG LEU A 14 5.442 17.714 -15.411 1.00 33.51 C ATOM 197 CD1 LEU A 14 4.483 16.566 -15.690 1.00 10.34 C ATOM 198 CD2 LEU A 14 4.688 19.033 -15.332 1.00 43.44 C ATOM 0 H LEU A 14 8.189 16.423 -12.902 1.00 1.04 H new ATOM 0 HA LEU A 14 7.922 18.396 -15.037 1.00 41.34 H new ATOM 0 HB2 LEU A 14 6.316 16.385 -13.981 1.00 63.10 H new ATOM 0 HB3 LEU A 14 5.626 17.837 -13.283 1.00 63.10 H new ATOM 0 HG LEU A 14 6.154 17.774 -16.234 1.00 33.51 H new ATOM 0 HD11 LEU A 14 3.939 16.763 -16.614 1.00 10.34 H new ATOM 0 HD12 LEU A 14 5.046 15.638 -15.791 1.00 10.34 H new ATOM 0 HD13 LEU A 14 3.776 16.474 -14.866 1.00 10.34 H new ATOM 0 HD21 LEU A 14 4.141 19.196 -16.261 1.00 43.44 H new ATOM 0 HD22 LEU A 14 3.986 19.001 -14.499 1.00 43.44 H new ATOM 0 HD23 LEU A 14 5.396 19.848 -15.180 1.00 43.44 H new ATOM 210 N ILE A 15 7.913 19.128 -11.870 1.00 34.44 N ATOM 211 CA ILE A 15 7.924 20.224 -10.909 1.00 43.24 C ATOM 212 C ILE A 15 9.191 21.062 -11.047 1.00 51.11 C ATOM 213 O ILE A 15 9.181 22.266 -10.790 1.00 45.34 O ATOM 214 CB ILE A 15 7.819 19.707 -9.463 1.00 22.14 C ATOM 215 CG1 ILE A 15 6.395 19.231 -9.170 1.00 72.23 C ATOM 216 CG2 ILE A 15 8.233 20.793 -8.481 1.00 34.25 C ATOM 217 CD1 ILE A 15 6.320 17.787 -8.724 1.00 52.40 C ATOM 0 H ILE A 15 8.180 18.223 -11.481 1.00 34.44 H new ATOM 0 HA ILE A 15 7.055 20.844 -11.127 1.00 43.24 H new ATOM 0 HB ILE A 15 8.496 18.861 -9.346 1.00 22.14 H new ATOM 0 HG12 ILE A 15 5.961 19.865 -8.397 1.00 72.23 H new ATOM 0 HG13 ILE A 15 5.787 19.358 -10.065 1.00 72.23 H new ATOM 0 HG21 ILE A 15 8.153 20.412 -7.463 1.00 34.25 H new ATOM 0 HG22 ILE A 15 9.263 21.088 -8.678 1.00 34.25 H new ATOM 0 HG23 ILE A 15 7.579 21.657 -8.597 1.00 34.25 H new ATOM 0 HD11 ILE A 15 5.281 17.518 -8.534 1.00 52.40 H new ATOM 0 HD12 ILE A 15 6.724 17.143 -9.505 1.00 52.40 H new ATOM 0 HD13 ILE A 15 6.901 17.658 -7.811 1.00 52.40 H new ATOM 229 N ILE A 16 10.279 20.417 -11.455 1.00 54.34 N ATOM 230 CA ILE A 16 11.552 21.104 -11.630 1.00 65.24 C ATOM 231 C ILE A 16 11.393 22.343 -12.504 1.00 45.25 C ATOM 232 O ILE A 16 11.712 23.462 -12.102 1.00 0.21 O ATOM 233 CB ILE A 16 12.609 20.177 -12.260 1.00 44.41 C ATOM 234 CG1 ILE A 16 13.368 19.417 -11.170 1.00 14.41 C ATOM 235 CG2 ILE A 16 13.573 20.981 -13.121 1.00 13.12 C ATOM 236 CD1 ILE A 16 14.399 20.259 -10.453 1.00 5.34 C ATOM 0 H ILE A 16 10.304 19.420 -11.670 1.00 54.34 H new ATOM 0 HA ILE A 16 11.888 21.404 -10.637 1.00 65.24 H new ATOM 0 HB ILE A 16 12.102 19.452 -12.896 1.00 44.41 H new ATOM 0 HG12 ILE A 16 12.654 19.033 -10.441 1.00 14.41 H new ATOM 0 HG13 ILE A 16 13.862 18.554 -11.617 1.00 14.41 H new ATOM 0 HG21 ILE A 16 14.314 20.312 -13.559 1.00 13.12 H new ATOM 0 HG22 ILE A 16 13.020 21.481 -13.916 1.00 13.12 H new ATOM 0 HG23 ILE A 16 14.076 21.726 -12.505 1.00 13.12 H new ATOM 0 HD11 ILE A 16 14.898 19.656 -9.694 1.00 5.34 H new ATOM 0 HD12 ILE A 16 15.135 20.621 -11.170 1.00 5.34 H new ATOM 0 HD13 ILE A 16 13.908 21.108 -9.977 1.00 5.34 H new ATOM 248 N PRO A 17 10.887 22.142 -13.730 1.00 61.21 N ATOM 249 CA PRO A 17 10.672 23.232 -14.686 1.00 73.35 C ATOM 250 C PRO A 17 9.537 24.159 -14.263 1.00 63.43 C ATOM 251 O PRO A 17 9.618 25.375 -14.441 1.00 33.32 O ATOM 252 CB PRO A 17 10.310 22.501 -15.982 1.00 31.42 C ATOM 253 CG PRO A 17 9.747 21.196 -15.536 1.00 32.44 C ATOM 254 CD PRO A 17 10.485 20.835 -14.276 1.00 63.34 C ATOM 0 HA PRO A 17 11.547 23.876 -14.773 1.00 73.35 H new ATOM 0 HB2 PRO A 17 9.584 23.067 -16.566 1.00 31.42 H new ATOM 0 HB3 PRO A 17 11.186 22.359 -16.614 1.00 31.42 H new ATOM 0 HG2 PRO A 17 8.676 21.276 -15.351 1.00 32.44 H new ATOM 0 HG3 PRO A 17 9.883 20.431 -16.300 1.00 32.44 H new ATOM 0 HD2 PRO A 17 9.849 20.287 -13.581 1.00 63.34 H new ATOM 0 HD3 PRO A 17 11.349 20.203 -14.483 1.00 63.34 H new ATOM 262 N CYS A 18 8.482 23.577 -13.703 1.00 44.22 N ATOM 263 CA CYS A 18 7.331 24.352 -13.255 1.00 32.03 C ATOM 264 C CYS A 18 7.766 25.495 -12.344 1.00 50.40 C ATOM 265 O CYS A 18 7.505 26.664 -12.629 1.00 53.22 O ATOM 266 CB CYS A 18 6.337 23.450 -12.521 1.00 62.34 C ATOM 267 SG CYS A 18 5.090 24.347 -11.568 1.00 70.30 S ATOM 0 H CYS A 18 8.400 22.572 -13.549 1.00 44.22 H new ATOM 0 HA CYS A 18 6.846 24.776 -14.134 1.00 32.03 H new ATOM 0 HB2 CYS A 18 5.834 22.814 -13.249 1.00 62.34 H new ATOM 0 HB3 CYS A 18 6.888 22.792 -11.849 1.00 62.34 H new ATOM 0 HG CYS A 18 4.295 23.499 -10.986 1.00 70.30 H new ATOM 273 N VAL A 19 8.430 25.150 -11.246 1.00 2.25 N ATOM 274 CA VAL A 19 8.901 26.147 -10.292 1.00 3.41 C ATOM 275 C VAL A 19 9.920 27.082 -10.933 1.00 5.50 C ATOM 276 O VAL A 19 9.830 28.304 -10.798 1.00 63.51 O ATOM 277 CB VAL A 19 9.536 25.485 -9.055 1.00 12.04 C ATOM 278 CG1 VAL A 19 9.825 26.524 -7.982 1.00 24.10 C ATOM 279 CG2 VAL A 19 8.631 24.388 -8.515 1.00 73.21 C ATOM 0 H VAL A 19 8.654 24.187 -10.995 1.00 2.25 H new ATOM 0 HA VAL A 19 8.029 26.722 -9.980 1.00 3.41 H new ATOM 0 HB VAL A 19 10.482 25.032 -9.352 1.00 12.04 H new ATOM 0 HG11 VAL A 19 10.273 26.037 -7.116 1.00 24.10 H new ATOM 0 HG12 VAL A 19 10.514 27.271 -8.375 1.00 24.10 H new ATOM 0 HG13 VAL A 19 8.895 27.009 -7.685 1.00 24.10 H new ATOM 0 HG21 VAL A 19 9.095 23.931 -7.641 1.00 73.21 H new ATOM 0 HG22 VAL A 19 7.669 24.816 -8.233 1.00 73.21 H new ATOM 0 HG23 VAL A 19 8.480 23.630 -9.284 1.00 73.21 H new ATOM 289 N LEU A 20 10.890 26.502 -11.631 1.00 40.25 N ATOM 290 CA LEU A 20 11.928 27.284 -12.295 1.00 72.43 C ATOM 291 C LEU A 20 11.314 28.371 -13.172 1.00 21.23 C ATOM 292 O LEU A 20 11.789 29.507 -13.192 1.00 33.23 O ATOM 293 CB LEU A 20 12.817 26.372 -13.142 1.00 63.41 C ATOM 294 CG LEU A 20 14.105 25.885 -12.477 1.00 64.23 C ATOM 295 CD1 LEU A 20 14.762 24.799 -13.316 1.00 51.52 C ATOM 296 CD2 LEU A 20 15.064 27.046 -12.259 1.00 25.13 C ATOM 0 H LEU A 20 10.980 25.493 -11.752 1.00 40.25 H new ATOM 0 HA LEU A 20 12.535 27.763 -11.527 1.00 72.43 H new ATOM 0 HB2 LEU A 20 12.232 25.501 -13.438 1.00 63.41 H new ATOM 0 HB3 LEU A 20 13.082 26.903 -14.056 1.00 63.41 H new ATOM 0 HG LEU A 20 13.852 25.461 -11.505 1.00 64.23 H new ATOM 0 HD11 LEU A 20 15.677 24.465 -12.827 1.00 51.52 H new ATOM 0 HD12 LEU A 20 14.078 23.957 -13.421 1.00 51.52 H new ATOM 0 HD13 LEU A 20 15.002 25.196 -14.302 1.00 51.52 H new ATOM 0 HD21 LEU A 20 15.975 26.681 -11.785 1.00 25.13 H new ATOM 0 HD22 LEU A 20 15.311 27.499 -13.219 1.00 25.13 H new ATOM 0 HD23 LEU A 20 14.594 27.791 -11.617 1.00 25.13 H new ATOM 308 N ILE A 21 10.256 28.015 -13.893 1.00 2.24 N ATOM 309 CA ILE A 21 9.576 28.962 -14.768 1.00 31.41 C ATOM 310 C ILE A 21 9.103 30.186 -13.992 1.00 12.01 C ATOM 311 O ILE A 21 9.329 31.324 -14.406 1.00 72.40 O ATOM 312 CB ILE A 21 8.367 28.313 -15.468 1.00 20.44 C ATOM 313 CG1 ILE A 21 8.834 27.440 -16.635 1.00 34.04 C ATOM 314 CG2 ILE A 21 7.399 29.381 -15.952 1.00 51.42 C ATOM 315 CD1 ILE A 21 8.005 26.188 -16.822 1.00 4.02 C ATOM 0 H ILE A 21 9.852 27.079 -13.888 1.00 2.24 H new ATOM 0 HA ILE A 21 10.300 29.271 -15.522 1.00 31.41 H new ATOM 0 HB ILE A 21 7.847 27.679 -14.750 1.00 20.44 H new ATOM 0 HG12 ILE A 21 8.803 28.027 -17.553 1.00 34.04 H new ATOM 0 HG13 ILE A 21 9.874 27.157 -16.473 1.00 34.04 H new ATOM 0 HG21 ILE A 21 6.550 28.907 -16.444 1.00 51.42 H new ATOM 0 HG22 ILE A 21 7.046 29.964 -15.102 1.00 51.42 H new ATOM 0 HG23 ILE A 21 7.906 30.039 -16.658 1.00 51.42 H new ATOM 0 HD11 ILE A 21 8.393 25.618 -17.666 1.00 4.02 H new ATOM 0 HD12 ILE A 21 8.056 25.580 -15.919 1.00 4.02 H new ATOM 0 HD13 ILE A 21 6.968 26.464 -17.016 1.00 4.02 H new ATOM 327 N THR A 22 8.446 29.946 -12.861 1.00 75.14 N ATOM 328 CA THR A 22 7.941 31.028 -12.026 1.00 51.30 C ATOM 329 C THR A 22 9.081 31.887 -11.491 1.00 51.43 C ATOM 330 O THR A 22 9.092 33.105 -11.673 1.00 73.25 O ATOM 331 CB THR A 22 7.121 30.487 -10.840 1.00 21.13 C ATOM 332 OG1 THR A 22 6.044 29.674 -11.319 1.00 13.42 O ATOM 333 CG2 THR A 22 6.568 31.628 -9.999 1.00 33.41 C ATOM 0 H THR A 22 8.251 29.011 -12.503 1.00 75.14 H new ATOM 0 HA THR A 22 7.294 31.638 -12.657 1.00 51.30 H new ATOM 0 HB THR A 22 7.780 29.884 -10.216 1.00 21.13 H new ATOM 0 HG1 THR A 22 5.732 29.087 -10.599 1.00 13.42 H new ATOM 0 HG21 THR A 22 5.993 31.221 -9.167 1.00 33.41 H new ATOM 0 HG22 THR A 22 7.392 32.227 -9.611 1.00 33.41 H new ATOM 0 HG23 THR A 22 5.923 32.254 -10.615 1.00 33.41 H new ATOM 341 N SER A 23 10.040 31.246 -10.831 1.00 72.01 N ATOM 342 CA SER A 23 11.184 31.953 -10.267 1.00 33.31 C ATOM 343 C SER A 23 11.864 32.817 -11.324 1.00 71.24 C ATOM 344 O SER A 23 12.176 33.984 -11.083 1.00 25.53 O ATOM 345 CB SER A 23 12.188 30.957 -9.683 1.00 13.04 C ATOM 346 OG SER A 23 13.490 31.189 -10.190 1.00 62.24 O ATOM 0 H SER A 23 10.048 30.238 -10.674 1.00 72.01 H new ATOM 0 HA SER A 23 10.822 32.603 -9.470 1.00 33.31 H new ATOM 0 HB2 SER A 23 12.197 31.040 -8.596 1.00 13.04 H new ATOM 0 HB3 SER A 23 11.877 29.940 -9.922 1.00 13.04 H new ATOM 0 HG SER A 23 14.113 30.541 -9.800 1.00 62.24 H new ATOM 352 N LEU A 24 12.090 32.236 -12.497 1.00 45.04 N ATOM 353 CA LEU A 24 12.734 32.952 -13.594 1.00 32.41 C ATOM 354 C LEU A 24 12.014 34.265 -13.884 1.00 33.41 C ATOM 355 O LEU A 24 12.645 35.274 -14.196 1.00 54.12 O ATOM 356 CB LEU A 24 12.759 32.082 -14.852 1.00 35.42 C ATOM 357 CG LEU A 24 13.984 31.182 -15.022 1.00 54.50 C ATOM 358 CD1 LEU A 24 13.643 29.972 -15.878 1.00 13.42 C ATOM 359 CD2 LEU A 24 15.137 31.963 -15.635 1.00 2.35 C ATOM 0 H LEU A 24 11.837 31.272 -12.713 1.00 45.04 H new ATOM 0 HA LEU A 24 13.758 33.178 -13.296 1.00 32.41 H new ATOM 0 HB2 LEU A 24 11.868 31.453 -14.852 1.00 35.42 H new ATOM 0 HB3 LEU A 24 12.689 32.735 -15.722 1.00 35.42 H new ATOM 0 HG LEU A 24 14.292 30.829 -14.038 1.00 54.50 H new ATOM 0 HD11 LEU A 24 14.527 29.343 -15.988 1.00 13.42 H new ATOM 0 HD12 LEU A 24 12.848 29.400 -15.399 1.00 13.42 H new ATOM 0 HD13 LEU A 24 13.310 30.304 -16.861 1.00 13.42 H new ATOM 0 HD21 LEU A 24 16.000 31.308 -15.749 1.00 2.35 H new ATOM 0 HD22 LEU A 24 14.839 32.344 -16.612 1.00 2.35 H new ATOM 0 HD23 LEU A 24 15.398 32.797 -14.984 1.00 2.35 H new ATOM 371 N ALA A 25 10.689 34.243 -13.776 1.00 43.55 N ATOM 372 CA ALA A 25 9.884 35.433 -14.023 1.00 73.00 C ATOM 373 C ALA A 25 10.013 36.431 -12.877 1.00 64.04 C ATOM 374 O ALA A 25 9.976 37.643 -13.091 1.00 10.23 O ATOM 375 CB ALA A 25 8.426 35.050 -14.229 1.00 72.41 C ATOM 0 H ALA A 25 10.151 33.415 -13.519 1.00 43.55 H new ATOM 0 HA ALA A 25 10.255 35.911 -14.930 1.00 73.00 H new ATOM 0 HB1 ALA A 25 7.836 35.948 -14.412 1.00 72.41 H new ATOM 0 HB2 ALA A 25 8.343 34.380 -15.085 1.00 72.41 H new ATOM 0 HB3 ALA A 25 8.053 34.547 -13.337 1.00 72.41 H new ATOM 381 N ILE A 26 10.165 35.914 -11.663 1.00 21.12 N ATOM 382 CA ILE A 26 10.301 36.761 -10.484 1.00 74.41 C ATOM 383 C ILE A 26 11.658 37.456 -10.460 1.00 33.44 C ATOM 384 O ILE A 26 11.741 38.673 -10.293 1.00 42.21 O ATOM 385 CB ILE A 26 10.128 35.950 -9.186 1.00 11.21 C ATOM 386 CG1 ILE A 26 8.707 35.391 -9.093 1.00 53.13 C ATOM 387 CG2 ILE A 26 10.442 36.816 -7.975 1.00 42.22 C ATOM 388 CD1 ILE A 26 8.549 34.313 -8.044 1.00 73.01 C ATOM 0 H ILE A 26 10.197 34.913 -11.470 1.00 21.12 H new ATOM 0 HA ILE A 26 9.513 37.512 -10.541 1.00 74.41 H new ATOM 0 HB ILE A 26 10.827 35.114 -9.202 1.00 11.21 H new ATOM 0 HG12 ILE A 26 8.018 36.206 -8.871 1.00 53.13 H new ATOM 0 HG13 ILE A 26 8.420 34.987 -10.064 1.00 53.13 H new ATOM 0 HG21 ILE A 26 10.315 36.229 -7.065 1.00 42.22 H new ATOM 0 HG22 ILE A 26 11.471 37.170 -8.038 1.00 42.22 H new ATOM 0 HG23 ILE A 26 9.765 37.670 -7.953 1.00 42.22 H new ATOM 0 HD11 ILE A 26 7.517 33.963 -8.034 1.00 73.01 H new ATOM 0 HD12 ILE A 26 9.212 33.480 -8.276 1.00 73.01 H new ATOM 0 HD13 ILE A 26 8.804 34.718 -7.065 1.00 73.01 H new ATOM 400 N LEU A 27 12.719 36.675 -10.628 1.00 61.30 N ATOM 401 CA LEU A 27 14.074 37.215 -10.627 1.00 62.13 C ATOM 402 C LEU A 27 14.214 38.336 -11.652 1.00 1.10 C ATOM 403 O LEU A 27 14.840 39.362 -11.384 1.00 34.01 O ATOM 404 CB LEU A 27 15.086 36.107 -10.925 1.00 41.12 C ATOM 405 CG LEU A 27 15.257 35.044 -9.839 1.00 52.23 C ATOM 406 CD1 LEU A 27 16.303 34.021 -10.253 1.00 41.15 C ATOM 407 CD2 LEU A 27 15.636 35.691 -8.515 1.00 35.21 C ATOM 0 H LEU A 27 12.667 35.666 -10.767 1.00 61.30 H new ATOM 0 HA LEU A 27 14.274 37.625 -9.637 1.00 62.13 H new ATOM 0 HB2 LEU A 27 14.789 35.610 -11.848 1.00 41.12 H new ATOM 0 HB3 LEU A 27 16.056 36.569 -11.109 1.00 41.12 H new ATOM 0 HG LEU A 27 14.306 34.528 -9.710 1.00 52.23 H new ATOM 0 HD11 LEU A 27 16.411 33.273 -9.468 1.00 41.15 H new ATOM 0 HD12 LEU A 27 15.991 33.535 -11.177 1.00 41.15 H new ATOM 0 HD13 LEU A 27 17.258 34.521 -10.411 1.00 41.15 H new ATOM 0 HD21 LEU A 27 15.754 34.920 -7.754 1.00 35.21 H new ATOM 0 HD22 LEU A 27 16.575 36.233 -8.630 1.00 35.21 H new ATOM 0 HD23 LEU A 27 14.852 36.384 -8.211 1.00 35.21 H new ATOM 419 N VAL A 28 13.626 38.134 -12.827 1.00 15.14 N ATOM 420 CA VAL A 28 13.681 39.129 -13.891 1.00 4.11 C ATOM 421 C VAL A 28 13.108 40.463 -13.426 1.00 44.34 C ATOM 422 O VAL A 28 13.697 41.519 -13.661 1.00 12.23 O ATOM 423 CB VAL A 28 12.912 38.659 -15.140 1.00 12.24 C ATOM 424 CG1 VAL A 28 12.519 39.848 -16.004 1.00 30.24 C ATOM 425 CG2 VAL A 28 13.743 37.664 -15.934 1.00 64.41 C ATOM 0 H VAL A 28 13.106 37.290 -13.066 1.00 15.14 H new ATOM 0 HA VAL A 28 14.732 39.259 -14.149 1.00 4.11 H new ATOM 0 HB VAL A 28 11.999 38.158 -14.816 1.00 12.24 H new ATOM 0 HG11 VAL A 28 11.977 39.496 -16.882 1.00 30.24 H new ATOM 0 HG12 VAL A 28 11.882 40.521 -15.429 1.00 30.24 H new ATOM 0 HG13 VAL A 28 13.416 40.380 -16.321 1.00 30.24 H new ATOM 0 HG21 VAL A 28 13.184 37.343 -16.813 1.00 64.41 H new ATOM 0 HG22 VAL A 28 14.674 38.136 -16.249 1.00 64.41 H new ATOM 0 HG23 VAL A 28 13.968 36.799 -15.311 1.00 64.41 H new ATOM 435 N PHE A 29 11.957 40.409 -12.766 1.00 34.51 N ATOM 436 CA PHE A 29 11.303 41.613 -12.268 1.00 52.21 C ATOM 437 C PHE A 29 12.008 42.139 -11.021 1.00 74.20 C ATOM 438 O PHE A 29 11.921 43.324 -10.699 1.00 31.14 O ATOM 439 CB PHE A 29 9.832 41.329 -11.955 1.00 24.42 C ATOM 440 CG PHE A 29 8.901 41.683 -13.078 1.00 54.41 C ATOM 441 CD1 PHE A 29 8.969 41.015 -14.290 1.00 1.10 C ATOM 442 CD2 PHE A 29 7.956 42.685 -12.922 1.00 72.21 C ATOM 443 CE1 PHE A 29 8.113 41.340 -15.325 1.00 44.34 C ATOM 444 CE2 PHE A 29 7.097 43.014 -13.954 1.00 0.11 C ATOM 445 CZ PHE A 29 7.175 42.340 -15.157 1.00 4.12 C ATOM 0 H PHE A 29 11.457 39.543 -12.563 1.00 34.51 H new ATOM 0 HA PHE A 29 11.361 42.375 -13.045 1.00 52.21 H new ATOM 0 HB2 PHE A 29 9.717 40.271 -11.718 1.00 24.42 H new ATOM 0 HB3 PHE A 29 9.544 41.888 -11.065 1.00 24.42 H new ATOM 0 HD1 PHE A 29 9.699 40.231 -14.427 1.00 1.10 H new ATOM 0 HD2 PHE A 29 7.890 43.215 -11.983 1.00 72.21 H new ATOM 0 HE1 PHE A 29 8.177 40.812 -16.265 1.00 44.34 H new ATOM 0 HE2 PHE A 29 6.366 43.797 -13.820 1.00 0.11 H new ATOM 0 HZ PHE A 29 6.504 42.594 -15.964 1.00 4.12 H new ATOM 455 N TYR A 30 12.705 41.249 -10.324 1.00 34.24 N ATOM 456 CA TYR A 30 13.422 41.621 -9.110 1.00 62.01 C ATOM 457 C TYR A 30 14.766 42.261 -9.446 1.00 54.22 C ATOM 458 O TYR A 30 15.360 42.956 -8.621 1.00 13.03 O ATOM 459 CB TYR A 30 13.637 40.394 -8.223 1.00 22.31 C ATOM 460 CG TYR A 30 12.906 40.466 -6.901 1.00 42.23 C ATOM 461 CD1 TYR A 30 11.559 40.803 -6.848 1.00 3.51 C ATOM 462 CD2 TYR A 30 13.562 40.198 -5.706 1.00 42.53 C ATOM 463 CE1 TYR A 30 10.887 40.872 -5.643 1.00 23.32 C ATOM 464 CE2 TYR A 30 12.898 40.263 -4.497 1.00 30.22 C ATOM 465 CZ TYR A 30 11.561 40.600 -4.470 1.00 52.02 C ATOM 466 OH TYR A 30 10.896 40.667 -3.267 1.00 72.43 O ATOM 0 H TYR A 30 12.789 40.265 -10.579 1.00 34.24 H new ATOM 0 HA TYR A 30 12.817 42.350 -8.570 1.00 62.01 H new ATOM 0 HB2 TYR A 30 13.309 39.505 -8.762 1.00 22.31 H new ATOM 0 HB3 TYR A 30 14.704 40.276 -8.033 1.00 22.31 H new ATOM 0 HD1 TYR A 30 11.028 41.015 -7.765 1.00 3.51 H new ATOM 0 HD2 TYR A 30 14.609 39.934 -5.723 1.00 42.53 H new ATOM 0 HE1 TYR A 30 9.840 41.137 -5.619 1.00 23.32 H new ATOM 0 HE2 TYR A 30 13.423 40.051 -3.577 1.00 30.22 H new ATOM 0 HH TYR A 30 11.514 40.446 -2.539 1.00 72.43 H new ATOM 476 N LEU A 31 15.239 42.023 -10.664 1.00 74.34 N ATOM 477 CA LEU A 31 16.512 42.576 -11.113 1.00 31.15 C ATOM 478 C LEU A 31 16.334 43.381 -12.396 1.00 64.52 C ATOM 479 O LEU A 31 16.780 42.984 -13.473 1.00 45.11 O ATOM 480 CB LEU A 31 17.527 41.454 -11.337 1.00 23.13 C ATOM 481 CG LEU A 31 18.227 40.923 -10.085 1.00 64.55 C ATOM 482 CD1 LEU A 31 17.855 39.468 -9.843 1.00 3.13 C ATOM 483 CD2 LEU A 31 19.736 41.075 -10.213 1.00 61.33 C ATOM 0 H LEU A 31 14.760 41.450 -11.359 1.00 74.34 H new ATOM 0 HA LEU A 31 16.884 43.244 -10.336 1.00 31.15 H new ATOM 0 HB2 LEU A 31 17.018 40.623 -11.825 1.00 23.13 H new ATOM 0 HB3 LEU A 31 18.288 41.813 -12.030 1.00 23.13 H new ATOM 0 HG LEU A 31 17.894 41.510 -9.229 1.00 64.55 H new ATOM 0 HD11 LEU A 31 18.362 39.107 -8.948 1.00 3.13 H new ATOM 0 HD12 LEU A 31 16.777 39.386 -9.707 1.00 3.13 H new ATOM 0 HD13 LEU A 31 18.159 38.867 -10.700 1.00 3.13 H new ATOM 0 HD21 LEU A 31 20.218 40.692 -9.313 1.00 61.33 H new ATOM 0 HD22 LEU A 31 20.086 40.513 -11.079 1.00 61.33 H new ATOM 0 HD23 LEU A 31 19.986 42.128 -10.338 1.00 61.33 H new ATOM 495 N PRO A 32 15.669 44.540 -12.281 1.00 62.52 N ATOM 496 CA PRO A 32 15.420 45.426 -13.422 1.00 21.11 C ATOM 497 C PRO A 32 16.695 46.094 -13.926 1.00 14.43 C ATOM 498 O PRO A 32 16.999 47.229 -13.558 1.00 30.14 O ATOM 499 CB PRO A 32 14.456 46.471 -12.855 1.00 41.11 C ATOM 500 CG PRO A 32 14.729 46.483 -11.391 1.00 11.25 C ATOM 501 CD PRO A 32 15.109 45.074 -11.028 1.00 45.35 C ATOM 0 HA PRO A 32 15.025 44.884 -14.281 1.00 21.11 H new ATOM 0 HB2 PRO A 32 14.630 47.452 -13.298 1.00 41.11 H new ATOM 0 HB3 PRO A 32 13.419 46.207 -13.062 1.00 41.11 H new ATOM 0 HG2 PRO A 32 15.533 47.178 -11.150 1.00 11.25 H new ATOM 0 HG3 PRO A 32 13.850 46.806 -10.833 1.00 11.25 H new ATOM 0 HD2 PRO A 32 15.839 45.050 -10.219 1.00 45.35 H new ATOM 0 HD3 PRO A 32 14.246 44.498 -10.696 1.00 45.35 H new ATOM 509 N SER A 33 17.436 45.384 -14.770 1.00 0.21 N ATOM 510 CA SER A 33 18.680 45.908 -15.322 1.00 0.14 C ATOM 511 C SER A 33 18.457 46.479 -16.719 1.00 31.41 C ATOM 512 O SER A 33 17.330 46.518 -17.213 1.00 32.42 O ATOM 513 CB SER A 33 19.743 44.809 -15.371 1.00 4.31 C ATOM 514 OG SER A 33 21.045 45.353 -15.234 1.00 60.32 O ATOM 0 H SER A 33 17.197 44.444 -15.087 1.00 0.21 H new ATOM 0 HA SER A 33 19.027 46.711 -14.672 1.00 0.14 H new ATOM 0 HB2 SER A 33 19.561 44.087 -14.575 1.00 4.31 H new ATOM 0 HB3 SER A 33 19.669 44.268 -16.315 1.00 4.31 H new ATOM 0 HG SER A 33 21.605 45.054 -15.981 1.00 60.32 H new ATOM 520 N ASP A 34 19.539 46.920 -17.350 1.00 50.33 N ATOM 521 CA ASP A 34 19.463 47.488 -18.691 1.00 44.23 C ATOM 522 C ASP A 34 20.046 46.526 -19.722 1.00 54.44 C ATOM 523 O ASP A 34 20.665 46.949 -20.699 1.00 62.15 O ATOM 524 CB ASP A 34 20.206 48.824 -18.745 1.00 41.11 C ATOM 525 CG ASP A 34 19.435 49.885 -19.505 1.00 14.21 C ATOM 526 OD1 ASP A 34 18.509 50.482 -18.916 1.00 1.41 O ATOM 527 OD2 ASP A 34 19.757 50.119 -20.688 1.00 51.23 O ATOM 0 H ASP A 34 20.479 46.895 -16.955 1.00 50.33 H new ATOM 0 HA ASP A 34 18.413 47.655 -18.929 1.00 44.23 H new ATOM 0 HB2 ASP A 34 20.394 49.173 -17.730 1.00 41.11 H new ATOM 0 HB3 ASP A 34 21.178 48.677 -19.217 1.00 41.11 H new ATOM 532 N CYS A 35 19.844 45.233 -19.498 1.00 34.05 N ATOM 533 CA CYS A 35 20.350 44.211 -20.406 1.00 64.42 C ATOM 534 C CYS A 35 19.221 43.620 -21.244 1.00 20.53 C ATOM 535 O CYS A 35 19.452 43.088 -22.329 1.00 31.22 O ATOM 536 CB CYS A 35 21.052 43.103 -19.620 1.00 23.52 C ATOM 537 SG CYS A 35 21.860 43.670 -18.105 1.00 14.22 S ATOM 0 H CYS A 35 19.333 44.867 -18.695 1.00 34.05 H new ATOM 0 HA CYS A 35 21.068 44.681 -21.078 1.00 64.42 H new ATOM 0 HB2 CYS A 35 20.322 42.335 -19.364 1.00 23.52 H new ATOM 0 HB3 CYS A 35 21.797 42.633 -20.262 1.00 23.52 H new ATOM 0 HG CYS A 35 22.423 42.661 -17.510 1.00 14.22 H new ATOM 543 N GLY A 36 17.998 43.715 -20.731 1.00 0.13 N ATOM 544 CA GLY A 36 16.851 43.184 -21.444 1.00 10.13 C ATOM 545 C GLY A 36 16.328 41.902 -20.827 1.00 61.34 C ATOM 546 O GLY A 36 15.860 41.011 -21.536 1.00 42.32 O ATOM 0 H GLY A 36 17.781 44.150 -19.834 1.00 0.13 H new ATOM 0 HA2 GLY A 36 16.056 43.930 -21.454 1.00 10.13 H new ATOM 0 HA3 GLY A 36 17.126 42.998 -22.482 1.00 10.13 H new ATOM 550 N GLU A 37 16.409 41.807 -19.504 1.00 22.11 N ATOM 551 CA GLU A 37 15.942 40.622 -18.794 1.00 2.15 C ATOM 552 C GLU A 37 14.455 40.388 -19.044 1.00 43.33 C ATOM 553 O GLU A 37 13.967 39.262 -18.951 1.00 25.32 O ATOM 554 CB GLU A 37 16.201 40.765 -17.292 1.00 41.23 C ATOM 555 CG GLU A 37 16.869 39.550 -16.671 1.00 45.14 C ATOM 556 CD GLU A 37 18.240 39.864 -16.105 1.00 5.23 C ATOM 557 OE1 GLU A 37 18.307 40.457 -15.007 1.00 75.04 O ATOM 558 OE2 GLU A 37 19.247 39.518 -16.758 1.00 33.10 O ATOM 0 H GLU A 37 16.793 42.536 -18.902 1.00 22.11 H new ATOM 0 HA GLU A 37 16.496 39.762 -19.171 1.00 2.15 H new ATOM 0 HB2 GLU A 37 16.828 41.640 -17.122 1.00 41.23 H new ATOM 0 HB3 GLU A 37 15.254 40.948 -16.784 1.00 41.23 H new ATOM 0 HG2 GLU A 37 16.234 39.157 -15.877 1.00 45.14 H new ATOM 0 HG3 GLU A 37 16.961 38.767 -17.423 1.00 45.14 H new ATOM 565 N LYS A 38 13.739 41.461 -19.363 1.00 2.21 N ATOM 566 CA LYS A 38 12.308 41.375 -19.628 1.00 41.43 C ATOM 567 C LYS A 38 12.033 40.508 -20.853 1.00 12.43 C ATOM 568 O LYS A 38 11.322 39.507 -20.769 1.00 10.34 O ATOM 569 CB LYS A 38 11.723 42.774 -19.838 1.00 73.33 C ATOM 570 CG LYS A 38 11.137 43.384 -18.577 1.00 33.43 C ATOM 571 CD LYS A 38 12.104 43.287 -17.409 1.00 63.12 C ATOM 572 CE LYS A 38 11.612 44.083 -16.210 1.00 45.22 C ATOM 573 NZ LYS A 38 12.722 44.420 -15.276 1.00 14.45 N ATOM 0 H LYS A 38 14.127 42.401 -19.444 1.00 2.21 H new ATOM 0 HA LYS A 38 11.830 40.914 -18.764 1.00 41.43 H new ATOM 0 HB2 LYS A 38 12.504 43.431 -20.221 1.00 73.33 H new ATOM 0 HB3 LYS A 38 10.947 42.723 -20.602 1.00 73.33 H new ATOM 0 HG2 LYS A 38 10.889 44.430 -18.759 1.00 33.43 H new ATOM 0 HG3 LYS A 38 10.207 42.875 -18.324 1.00 33.43 H new ATOM 0 HD2 LYS A 38 12.231 42.242 -17.126 1.00 63.12 H new ATOM 0 HD3 LYS A 38 13.083 43.655 -17.715 1.00 63.12 H new ATOM 0 HE2 LYS A 38 11.135 45.001 -16.554 1.00 45.22 H new ATOM 0 HE3 LYS A 38 10.852 43.509 -15.680 1.00 45.22 H new ATOM 0 HZ1 LYS A 38 12.347 44.962 -14.472 1.00 14.45 H new ATOM 0 HZ2 LYS A 38 13.161 43.544 -14.928 1.00 14.45 H new ATOM 0 HZ3 LYS A 38 13.435 44.990 -15.775 1.00 14.45 H new ATOM 587 N MET A 39 12.601 40.899 -21.989 1.00 3.03 N ATOM 588 CA MET A 39 12.419 40.155 -23.230 1.00 15.04 C ATOM 589 C MET A 39 12.956 38.734 -23.096 1.00 22.25 C ATOM 590 O MET A 39 12.390 37.790 -23.648 1.00 23.31 O ATOM 591 CB MET A 39 13.119 40.871 -24.386 1.00 71.32 C ATOM 592 CG MET A 39 12.288 41.983 -25.005 1.00 74.43 C ATOM 593 SD MET A 39 11.318 41.421 -26.418 1.00 34.35 S ATOM 594 CE MET A 39 10.857 42.986 -27.156 1.00 52.11 C ATOM 0 H MET A 39 13.191 41.727 -22.076 1.00 3.03 H new ATOM 0 HA MET A 39 11.351 40.102 -23.439 1.00 15.04 H new ATOM 0 HB2 MET A 39 14.060 41.288 -24.027 1.00 71.32 H new ATOM 0 HB3 MET A 39 13.367 40.142 -25.157 1.00 71.32 H new ATOM 0 HG2 MET A 39 11.618 42.394 -24.250 1.00 74.43 H new ATOM 0 HG3 MET A 39 12.947 42.792 -25.320 1.00 74.43 H new ATOM 0 HE1 MET A 39 9.796 42.973 -27.405 1.00 52.11 H new ATOM 0 HE2 MET A 39 11.054 43.793 -26.450 1.00 52.11 H new ATOM 0 HE3 MET A 39 11.440 43.146 -28.063 1.00 52.11 H new ATOM 604 N THR A 40 14.053 38.588 -22.358 1.00 70.44 N ATOM 605 CA THR A 40 14.668 37.282 -22.153 1.00 54.23 C ATOM 606 C THR A 40 13.726 36.342 -21.410 1.00 73.44 C ATOM 607 O THR A 40 13.718 35.134 -21.654 1.00 4.15 O ATOM 608 CB THR A 40 15.985 37.399 -21.364 1.00 44.54 C ATOM 609 OG1 THR A 40 16.874 38.306 -22.027 1.00 11.23 O ATOM 610 CG2 THR A 40 16.653 36.040 -21.222 1.00 4.23 C ATOM 0 H THR A 40 14.533 39.358 -21.893 1.00 70.44 H new ATOM 0 HA THR A 40 14.880 36.874 -23.141 1.00 54.23 H new ATOM 0 HB THR A 40 15.754 37.779 -20.369 1.00 44.54 H new ATOM 0 HG1 THR A 40 16.567 39.226 -21.887 1.00 11.23 H new ATOM 0 HG21 THR A 40 17.581 36.148 -20.661 1.00 4.23 H new ATOM 0 HG22 THR A 40 15.986 35.360 -20.692 1.00 4.23 H new ATOM 0 HG23 THR A 40 16.871 35.637 -22.211 1.00 4.23 H new ATOM 618 N LEU A 41 12.932 36.901 -20.504 1.00 54.34 N ATOM 619 CA LEU A 41 11.984 36.112 -19.726 1.00 32.13 C ATOM 620 C LEU A 41 10.905 35.515 -20.624 1.00 21.22 C ATOM 621 O LEU A 41 10.571 34.335 -20.509 1.00 60.12 O ATOM 622 CB LEU A 41 11.339 36.977 -18.641 1.00 62.11 C ATOM 623 CG LEU A 41 10.001 36.480 -18.094 1.00 12.14 C ATOM 624 CD1 LEU A 41 10.158 35.103 -17.467 1.00 3.42 C ATOM 625 CD2 LEU A 41 9.439 37.468 -17.082 1.00 32.24 C ATOM 0 H LEU A 41 12.926 37.898 -20.290 1.00 54.34 H new ATOM 0 HA LEU A 41 12.531 35.296 -19.254 1.00 32.13 H new ATOM 0 HB2 LEU A 41 12.039 37.064 -17.810 1.00 62.11 H new ATOM 0 HB3 LEU A 41 11.195 37.980 -19.042 1.00 62.11 H new ATOM 0 HG LEU A 41 9.298 36.400 -18.924 1.00 12.14 H new ATOM 0 HD11 LEU A 41 9.195 34.766 -17.083 1.00 3.42 H new ATOM 0 HD12 LEU A 41 10.515 34.399 -18.219 1.00 3.42 H new ATOM 0 HD13 LEU A 41 10.876 35.155 -16.649 1.00 3.42 H new ATOM 0 HD21 LEU A 41 8.486 37.098 -16.703 1.00 32.24 H new ATOM 0 HD22 LEU A 41 10.140 37.580 -16.255 1.00 32.24 H new ATOM 0 HD23 LEU A 41 9.288 38.435 -17.563 1.00 32.24 H new ATOM 637 N CYS A 42 10.366 36.336 -21.518 1.00 11.02 N ATOM 638 CA CYS A 42 9.326 35.889 -22.437 1.00 73.33 C ATOM 639 C CYS A 42 9.777 34.653 -23.209 1.00 33.33 C ATOM 640 O CYS A 42 9.006 33.711 -23.396 1.00 62.41 O ATOM 641 CB CYS A 42 8.962 37.009 -23.413 1.00 10.03 C ATOM 642 SG CYS A 42 8.142 36.438 -24.920 1.00 45.31 S ATOM 0 H CYS A 42 10.632 37.315 -21.626 1.00 11.02 H new ATOM 0 HA CYS A 42 8.445 35.628 -21.850 1.00 73.33 H new ATOM 0 HB2 CYS A 42 8.311 37.721 -22.906 1.00 10.03 H new ATOM 0 HB3 CYS A 42 9.870 37.546 -23.687 1.00 10.03 H new ATOM 0 HG CYS A 42 7.873 37.457 -25.680 1.00 45.31 H new ATOM 648 N ILE A 43 11.028 34.664 -23.655 1.00 1.30 N ATOM 649 CA ILE A 43 11.581 33.545 -24.407 1.00 30.53 C ATOM 650 C ILE A 43 11.920 32.378 -23.485 1.00 71.33 C ATOM 651 O ILE A 43 11.843 31.216 -23.884 1.00 62.33 O ATOM 652 CB ILE A 43 12.847 33.957 -25.181 1.00 74.35 C ATOM 653 CG1 ILE A 43 12.489 34.936 -26.301 1.00 42.13 C ATOM 654 CG2 ILE A 43 13.545 32.729 -25.747 1.00 32.10 C ATOM 655 CD1 ILE A 43 13.686 35.662 -26.874 1.00 64.01 C ATOM 0 H ILE A 43 11.678 35.436 -23.509 1.00 1.30 H new ATOM 0 HA ILE A 43 10.816 33.234 -25.118 1.00 30.53 H new ATOM 0 HB ILE A 43 13.531 34.454 -24.493 1.00 74.35 H new ATOM 0 HG12 ILE A 43 11.987 34.392 -27.101 1.00 42.13 H new ATOM 0 HG13 ILE A 43 11.778 35.669 -25.919 1.00 42.13 H new ATOM 0 HG21 ILE A 43 14.438 33.037 -26.291 1.00 32.10 H new ATOM 0 HG22 ILE A 43 13.828 32.063 -24.932 1.00 32.10 H new ATOM 0 HG23 ILE A 43 12.869 32.206 -26.424 1.00 32.10 H new ATOM 0 HD11 ILE A 43 13.358 36.339 -27.663 1.00 64.01 H new ATOM 0 HD12 ILE A 43 14.176 36.234 -26.086 1.00 64.01 H new ATOM 0 HD13 ILE A 43 14.388 34.937 -27.287 1.00 64.01 H new ATOM 667 N SER A 44 12.294 32.696 -22.250 1.00 35.51 N ATOM 668 CA SER A 44 12.646 31.674 -21.271 1.00 63.33 C ATOM 669 C SER A 44 11.437 30.809 -20.929 1.00 60.53 C ATOM 670 O SER A 44 11.461 29.590 -21.105 1.00 52.34 O ATOM 671 CB SER A 44 13.199 32.323 -20.001 1.00 13.10 C ATOM 672 OG SER A 44 13.575 31.343 -19.049 1.00 61.14 O ATOM 0 H SER A 44 12.361 33.653 -21.903 1.00 35.51 H new ATOM 0 HA SER A 44 13.414 31.037 -21.709 1.00 63.33 H new ATOM 0 HB2 SER A 44 14.061 32.941 -20.251 1.00 13.10 H new ATOM 0 HB3 SER A 44 12.447 32.984 -19.570 1.00 13.10 H new ATOM 0 HG SER A 44 14.411 31.612 -18.615 1.00 61.14 H new ATOM 678 N VAL A 45 10.380 31.448 -20.439 1.00 33.32 N ATOM 679 CA VAL A 45 9.160 30.738 -20.072 1.00 53.55 C ATOM 680 C VAL A 45 8.640 29.902 -21.236 1.00 70.22 C ATOM 681 O VAL A 45 8.303 28.729 -21.070 1.00 75.10 O ATOM 682 CB VAL A 45 8.056 31.715 -19.623 1.00 62.34 C ATOM 683 CG1 VAL A 45 6.685 31.069 -19.756 1.00 44.11 C ATOM 684 CG2 VAL A 45 8.302 32.175 -18.194 1.00 71.24 C ATOM 0 H VAL A 45 10.343 32.456 -20.287 1.00 33.32 H new ATOM 0 HA VAL A 45 9.414 30.080 -19.241 1.00 53.55 H new ATOM 0 HB VAL A 45 8.083 32.590 -20.272 1.00 62.34 H new ATOM 0 HG11 VAL A 45 5.918 31.774 -19.434 1.00 44.11 H new ATOM 0 HG12 VAL A 45 6.512 30.794 -20.796 1.00 44.11 H new ATOM 0 HG13 VAL A 45 6.642 30.176 -19.133 1.00 44.11 H new ATOM 0 HG21 VAL A 45 7.513 32.864 -17.893 1.00 71.24 H new ATOM 0 HG22 VAL A 45 8.303 31.311 -17.529 1.00 71.24 H new ATOM 0 HG23 VAL A 45 9.267 32.679 -18.135 1.00 71.24 H new ATOM 694 N LEU A 46 8.578 30.512 -22.415 1.00 23.43 N ATOM 695 CA LEU A 46 8.100 29.823 -23.608 1.00 71.14 C ATOM 696 C LEU A 46 8.912 28.559 -23.870 1.00 63.31 C ATOM 697 O LEU A 46 8.354 27.491 -24.126 1.00 41.04 O ATOM 698 CB LEU A 46 8.175 30.752 -24.822 1.00 23.53 C ATOM 699 CG LEU A 46 6.842 31.099 -25.485 1.00 0.34 C ATOM 700 CD1 LEU A 46 6.163 32.245 -24.750 1.00 23.22 C ATOM 701 CD2 LEU A 46 7.051 31.453 -26.950 1.00 21.41 C ATOM 0 H LEU A 46 8.853 31.482 -22.570 1.00 23.43 H new ATOM 0 HA LEU A 46 7.062 29.537 -23.440 1.00 71.14 H new ATOM 0 HB2 LEU A 46 8.658 31.680 -24.515 1.00 23.53 H new ATOM 0 HB3 LEU A 46 8.820 30.289 -25.569 1.00 23.53 H new ATOM 0 HG LEU A 46 6.193 30.225 -25.432 1.00 0.34 H new ATOM 0 HD11 LEU A 46 5.216 32.478 -25.236 1.00 23.22 H new ATOM 0 HD12 LEU A 46 5.979 31.955 -23.716 1.00 23.22 H new ATOM 0 HD13 LEU A 46 6.808 33.124 -24.771 1.00 23.22 H new ATOM 0 HD21 LEU A 46 6.091 31.697 -27.406 1.00 21.41 H new ATOM 0 HD22 LEU A 46 7.718 32.312 -27.025 1.00 21.41 H new ATOM 0 HD23 LEU A 46 7.494 30.604 -27.470 1.00 21.41 H new ATOM 713 N LEU A 47 10.233 28.686 -23.802 1.00 31.21 N ATOM 714 CA LEU A 47 11.123 27.553 -24.029 1.00 63.21 C ATOM 715 C LEU A 47 10.767 26.388 -23.112 1.00 30.44 C ATOM 716 O LEU A 47 10.794 25.229 -23.525 1.00 21.34 O ATOM 717 CB LEU A 47 12.578 27.969 -23.803 1.00 31.42 C ATOM 718 CG LEU A 47 13.637 27.114 -24.500 1.00 34.40 C ATOM 719 CD1 LEU A 47 13.540 27.271 -26.010 1.00 24.34 C ATOM 720 CD2 LEU A 47 15.029 27.485 -24.011 1.00 11.01 C ATOM 0 H LEU A 47 10.711 29.562 -23.592 1.00 31.21 H new ATOM 0 HA LEU A 47 11.001 27.228 -25.062 1.00 63.21 H new ATOM 0 HB2 LEU A 47 12.696 29.000 -24.136 1.00 31.42 H new ATOM 0 HB3 LEU A 47 12.777 27.955 -22.731 1.00 31.42 H new ATOM 0 HG LEU A 47 13.454 26.069 -24.252 1.00 34.40 H new ATOM 0 HD11 LEU A 47 14.301 26.655 -26.489 1.00 24.34 H new ATOM 0 HD12 LEU A 47 12.553 26.954 -26.346 1.00 24.34 H new ATOM 0 HD13 LEU A 47 13.697 28.316 -26.278 1.00 24.34 H new ATOM 0 HD21 LEU A 47 15.770 26.866 -24.518 1.00 11.01 H new ATOM 0 HD22 LEU A 47 15.223 28.535 -24.229 1.00 11.01 H new ATOM 0 HD23 LEU A 47 15.093 27.320 -22.936 1.00 11.01 H new ATOM 732 N ALA A 48 10.431 26.704 -21.865 1.00 61.22 N ATOM 733 CA ALA A 48 10.065 25.684 -20.890 1.00 60.25 C ATOM 734 C ALA A 48 8.902 24.835 -21.394 1.00 43.41 C ATOM 735 O ALA A 48 8.935 23.607 -21.311 1.00 21.21 O ATOM 736 CB ALA A 48 9.712 26.329 -19.559 1.00 11.14 C ATOM 0 H ALA A 48 10.405 27.659 -21.507 1.00 61.22 H new ATOM 0 HA ALA A 48 10.924 25.028 -20.747 1.00 60.25 H new ATOM 0 HB1 ALA A 48 9.441 25.556 -18.840 1.00 11.14 H new ATOM 0 HB2 ALA A 48 10.571 26.886 -19.185 1.00 11.14 H new ATOM 0 HB3 ALA A 48 8.871 27.008 -19.696 1.00 11.14 H new ATOM 742 N LEU A 49 7.876 25.497 -21.916 1.00 14.42 N ATOM 743 CA LEU A 49 6.701 24.804 -22.433 1.00 21.52 C ATOM 744 C LEU A 49 7.098 23.761 -23.473 1.00 44.21 C ATOM 745 O LEU A 49 6.613 22.629 -23.452 1.00 2.54 O ATOM 746 CB LEU A 49 5.721 25.805 -23.046 1.00 45.44 C ATOM 747 CG LEU A 49 4.241 25.434 -22.962 1.00 74.23 C ATOM 748 CD1 LEU A 49 3.370 26.616 -23.361 1.00 23.44 C ATOM 749 CD2 LEU A 49 3.942 24.229 -23.843 1.00 23.15 C ATOM 0 H LEU A 49 7.834 26.513 -21.993 1.00 14.42 H new ATOM 0 HA LEU A 49 6.216 24.294 -21.601 1.00 21.52 H new ATOM 0 HB2 LEU A 49 5.862 26.768 -22.555 1.00 45.44 H new ATOM 0 HB3 LEU A 49 5.982 25.941 -24.096 1.00 45.44 H new ATOM 0 HG LEU A 49 4.011 25.171 -21.930 1.00 74.23 H new ATOM 0 HD11 LEU A 49 2.320 26.333 -23.295 1.00 23.44 H new ATOM 0 HD12 LEU A 49 3.563 27.453 -22.690 1.00 23.44 H new ATOM 0 HD13 LEU A 49 3.603 26.910 -24.384 1.00 23.44 H new ATOM 0 HD21 LEU A 49 2.884 23.979 -23.771 1.00 23.15 H new ATOM 0 HD22 LEU A 49 4.189 24.465 -24.878 1.00 23.15 H new ATOM 0 HD23 LEU A 49 4.539 23.379 -23.512 1.00 23.15 H new ATOM 761 N THR A 50 7.987 24.149 -24.383 1.00 54.32 N ATOM 762 CA THR A 50 8.450 23.249 -25.431 1.00 64.01 C ATOM 763 C THR A 50 9.074 21.991 -24.838 1.00 60.45 C ATOM 764 O THR A 50 8.934 20.898 -25.388 1.00 73.11 O ATOM 765 CB THR A 50 9.481 23.936 -26.347 1.00 14.40 C ATOM 766 OG1 THR A 50 9.387 25.359 -26.209 1.00 73.41 O ATOM 767 CG2 THR A 50 9.257 23.547 -27.800 1.00 64.15 C ATOM 0 H THR A 50 8.400 25.081 -24.415 1.00 54.32 H new ATOM 0 HA THR A 50 7.576 22.975 -26.022 1.00 64.01 H new ATOM 0 HB THR A 50 10.476 23.607 -26.048 1.00 14.40 H new ATOM 0 HG1 THR A 50 10.046 25.789 -26.793 1.00 73.41 H new ATOM 0 HG21 THR A 50 9.996 24.044 -28.428 1.00 64.15 H new ATOM 0 HG22 THR A 50 9.357 22.467 -27.907 1.00 64.15 H new ATOM 0 HG23 THR A 50 8.257 23.851 -28.108 1.00 64.15 H new ATOM 775 N VAL A 51 9.763 22.151 -23.713 1.00 63.32 N ATOM 776 CA VAL A 51 10.407 21.026 -23.045 1.00 3.45 C ATOM 777 C VAL A 51 9.389 19.960 -22.658 1.00 15.33 C ATOM 778 O VAL A 51 9.608 18.769 -22.876 1.00 33.51 O ATOM 779 CB VAL A 51 11.162 21.482 -21.781 1.00 51.05 C ATOM 780 CG1 VAL A 51 11.941 20.323 -21.178 1.00 12.54 C ATOM 781 CG2 VAL A 51 12.087 22.646 -22.105 1.00 35.04 C ATOM 0 H VAL A 51 9.890 23.048 -23.245 1.00 63.32 H new ATOM 0 HA VAL A 51 11.120 20.603 -23.753 1.00 3.45 H new ATOM 0 HB VAL A 51 10.433 21.821 -21.045 1.00 51.05 H new ATOM 0 HG11 VAL A 51 12.468 20.663 -20.287 1.00 12.54 H new ATOM 0 HG12 VAL A 51 11.252 19.522 -20.909 1.00 12.54 H new ATOM 0 HG13 VAL A 51 12.662 19.952 -21.906 1.00 12.54 H new ATOM 0 HG21 VAL A 51 12.612 22.956 -21.202 1.00 35.04 H new ATOM 0 HG22 VAL A 51 12.812 22.336 -22.858 1.00 35.04 H new ATOM 0 HG23 VAL A 51 11.500 23.481 -22.488 1.00 35.04 H new ATOM 791 N PHE A 52 8.273 20.397 -22.082 1.00 70.34 N ATOM 792 CA PHE A 52 7.219 19.480 -21.664 1.00 61.42 C ATOM 793 C PHE A 52 6.736 18.634 -22.839 1.00 52.41 C ATOM 794 O PHE A 52 6.546 17.424 -22.711 1.00 54.14 O ATOM 795 CB PHE A 52 6.046 20.257 -21.064 1.00 11.02 C ATOM 796 CG PHE A 52 6.274 20.684 -19.642 1.00 23.51 C ATOM 797 CD1 PHE A 52 6.670 19.764 -18.684 1.00 4.20 C ATOM 798 CD2 PHE A 52 6.092 22.004 -19.263 1.00 64.11 C ATOM 799 CE1 PHE A 52 6.882 20.153 -17.375 1.00 12.43 C ATOM 800 CE2 PHE A 52 6.303 22.399 -17.956 1.00 12.05 C ATOM 801 CZ PHE A 52 6.697 21.472 -17.010 1.00 13.51 C ATOM 0 H PHE A 52 8.076 21.380 -21.894 1.00 70.34 H new ATOM 0 HA PHE A 52 7.631 18.815 -20.905 1.00 61.42 H new ATOM 0 HB2 PHE A 52 5.856 21.140 -21.674 1.00 11.02 H new ATOM 0 HB3 PHE A 52 5.150 19.639 -21.110 1.00 11.02 H new ATOM 0 HD1 PHE A 52 6.815 18.731 -18.964 1.00 4.20 H new ATOM 0 HD2 PHE A 52 5.782 22.732 -19.997 1.00 64.11 H new ATOM 0 HE1 PHE A 52 7.192 19.426 -16.638 1.00 12.43 H new ATOM 0 HE2 PHE A 52 6.160 23.432 -17.674 1.00 12.05 H new ATOM 0 HZ PHE A 52 6.860 21.778 -15.987 1.00 13.51 H new ATOM 811 N LEU A 53 6.538 19.280 -23.983 1.00 4.41 N ATOM 812 CA LEU A 53 6.077 18.590 -25.182 1.00 35.41 C ATOM 813 C LEU A 53 6.950 17.376 -25.481 1.00 60.44 C ATOM 814 O LEU A 53 6.464 16.245 -25.534 1.00 54.14 O ATOM 815 CB LEU A 53 6.082 19.543 -26.378 1.00 14.42 C ATOM 816 CG LEU A 53 5.318 19.072 -27.616 1.00 34.14 C ATOM 817 CD1 LEU A 53 4.415 20.178 -28.140 1.00 5.44 C ATOM 818 CD2 LEU A 53 6.285 18.613 -28.697 1.00 1.11 C ATOM 0 H LEU A 53 6.690 20.281 -24.105 1.00 4.41 H new ATOM 0 HA LEU A 53 5.058 18.247 -25.004 1.00 35.41 H new ATOM 0 HB2 LEU A 53 5.663 20.497 -26.058 1.00 14.42 H new ATOM 0 HB3 LEU A 53 7.117 19.730 -26.664 1.00 14.42 H new ATOM 0 HG LEU A 53 4.693 18.225 -27.333 1.00 34.14 H new ATOM 0 HD11 LEU A 53 3.880 19.824 -29.021 1.00 5.44 H new ATOM 0 HD12 LEU A 53 3.698 20.459 -27.368 1.00 5.44 H new ATOM 0 HD13 LEU A 53 5.019 21.045 -28.407 1.00 5.44 H new ATOM 0 HD21 LEU A 53 5.724 18.281 -29.570 1.00 1.11 H new ATOM 0 HD22 LEU A 53 6.937 19.440 -28.977 1.00 1.11 H new ATOM 0 HD23 LEU A 53 6.888 17.788 -28.319 1.00 1.11 H new ATOM 830 N LEU A 54 8.242 17.616 -25.675 1.00 1.24 N ATOM 831 CA LEU A 54 9.185 16.542 -25.967 1.00 1.25 C ATOM 832 C LEU A 54 9.144 15.471 -24.881 1.00 53.22 C ATOM 833 O LEU A 54 9.311 14.283 -25.160 1.00 32.03 O ATOM 834 CB LEU A 54 10.603 17.102 -26.093 1.00 1.14 C ATOM 835 CG LEU A 54 11.202 17.102 -27.499 1.00 61.15 C ATOM 836 CD1 LEU A 54 11.117 18.489 -28.116 1.00 54.42 C ATOM 837 CD2 LEU A 54 12.645 16.620 -27.465 1.00 20.23 C ATOM 0 H LEU A 54 8.661 18.545 -25.635 1.00 1.24 H new ATOM 0 HA LEU A 54 8.896 16.085 -26.913 1.00 1.25 H new ATOM 0 HB2 LEU A 54 10.602 18.126 -25.720 1.00 1.14 H new ATOM 0 HB3 LEU A 54 11.259 16.526 -25.440 1.00 1.14 H new ATOM 0 HG LEU A 54 10.625 16.415 -28.118 1.00 61.15 H new ATOM 0 HD11 LEU A 54 11.548 18.469 -29.117 1.00 54.42 H new ATOM 0 HD12 LEU A 54 10.073 18.797 -28.177 1.00 54.42 H new ATOM 0 HD13 LEU A 54 11.668 19.197 -27.497 1.00 54.42 H new ATOM 0 HD21 LEU A 54 13.055 16.627 -28.475 1.00 20.23 H new ATOM 0 HD22 LEU A 54 13.235 17.281 -26.830 1.00 20.23 H new ATOM 0 HD23 LEU A 54 12.681 15.606 -27.066 1.00 20.23 H new ATOM 849 N LEU A 55 8.918 15.899 -23.644 1.00 30.31 N ATOM 850 CA LEU A 55 8.852 14.976 -22.516 1.00 11.12 C ATOM 851 C LEU A 55 7.880 13.836 -22.801 1.00 62.43 C ATOM 852 O LEU A 55 8.280 12.675 -22.893 1.00 64.34 O ATOM 853 CB LEU A 55 8.426 15.719 -21.248 1.00 52.13 C ATOM 854 CG LEU A 55 9.339 15.552 -20.033 1.00 42.24 C ATOM 855 CD1 LEU A 55 10.216 16.782 -19.852 1.00 32.32 C ATOM 856 CD2 LEU A 55 8.517 15.291 -18.780 1.00 10.22 C ATOM 0 H LEU A 55 8.777 16.878 -23.396 1.00 30.31 H new ATOM 0 HA LEU A 55 9.845 14.553 -22.366 1.00 11.12 H new ATOM 0 HB2 LEU A 55 8.355 16.782 -21.480 1.00 52.13 H new ATOM 0 HB3 LEU A 55 7.425 15.385 -20.974 1.00 52.13 H new ATOM 0 HG LEU A 55 9.986 14.692 -20.204 1.00 42.24 H new ATOM 0 HD11 LEU A 55 10.859 16.646 -18.983 1.00 32.32 H new ATOM 0 HD12 LEU A 55 10.832 16.924 -20.740 1.00 32.32 H new ATOM 0 HD13 LEU A 55 9.586 17.659 -19.703 1.00 32.32 H new ATOM 0 HD21 LEU A 55 9.183 15.175 -17.925 1.00 10.22 H new ATOM 0 HD22 LEU A 55 7.845 16.131 -18.604 1.00 10.22 H new ATOM 0 HD23 LEU A 55 7.933 14.380 -18.911 1.00 10.22 H new ATOM 868 N ILE A 56 6.603 14.175 -22.942 1.00 62.53 N ATOM 869 CA ILE A 56 5.575 13.179 -23.221 1.00 4.20 C ATOM 870 C ILE A 56 5.674 12.675 -24.657 1.00 35.13 C ATOM 871 O ILE A 56 5.257 11.558 -24.963 1.00 31.20 O ATOM 872 CB ILE A 56 4.163 13.746 -22.983 1.00 44.33 C ATOM 873 CG1 ILE A 56 4.105 14.482 -21.643 1.00 54.31 C ATOM 874 CG2 ILE A 56 3.130 12.630 -23.027 1.00 3.34 C ATOM 875 CD1 ILE A 56 4.209 15.986 -21.774 1.00 71.43 C ATOM 0 H ILE A 56 6.255 15.131 -22.868 1.00 62.53 H new ATOM 0 HA ILE A 56 5.744 12.349 -22.535 1.00 4.20 H new ATOM 0 HB ILE A 56 3.934 14.457 -23.777 1.00 44.33 H new ATOM 0 HG12 ILE A 56 3.170 14.233 -21.141 1.00 54.31 H new ATOM 0 HG13 ILE A 56 4.914 14.124 -21.006 1.00 54.31 H new ATOM 0 HG21 ILE A 56 2.137 13.046 -22.857 1.00 3.34 H new ATOM 0 HG22 ILE A 56 3.158 12.146 -24.003 1.00 3.34 H new ATOM 0 HG23 ILE A 56 3.353 11.897 -22.252 1.00 3.34 H new ATOM 0 HD11 ILE A 56 4.161 16.442 -20.785 1.00 71.43 H new ATOM 0 HD12 ILE A 56 5.156 16.245 -22.247 1.00 71.43 H new ATOM 0 HD13 ILE A 56 3.385 16.356 -22.384 1.00 71.43 H new ATOM 1056 N SER A 69 -2.925 13.798 -15.815 1.00 33.30 N ATOM 1057 CA SER A 69 -1.801 14.662 -15.477 1.00 44.33 C ATOM 1058 C SER A 69 -1.418 15.544 -16.662 1.00 71.23 C ATOM 1059 O SER A 69 -1.472 16.771 -16.581 1.00 3.01 O ATOM 1060 CB SER A 69 -0.598 13.823 -15.042 1.00 3.10 C ATOM 1061 OG SER A 69 -0.011 14.346 -13.863 1.00 42.30 O ATOM 0 HA SER A 69 -2.105 15.305 -14.651 1.00 44.33 H new ATOM 0 HB2 SER A 69 -0.912 12.793 -14.870 1.00 3.10 H new ATOM 0 HB3 SER A 69 0.142 13.801 -15.842 1.00 3.10 H new ATOM 0 HG SER A 69 0.755 13.791 -13.605 1.00 42.30 H new ATOM 1067 N VAL A 70 -1.031 14.908 -17.764 1.00 13.40 N ATOM 1068 CA VAL A 70 -0.640 15.633 -18.967 1.00 53.12 C ATOM 1069 C VAL A 70 -1.746 16.579 -19.423 1.00 20.50 C ATOM 1070 O VAL A 70 -1.477 17.661 -19.943 1.00 21.35 O ATOM 1071 CB VAL A 70 -0.299 14.668 -20.118 1.00 23.33 C ATOM 1072 CG1 VAL A 70 0.939 13.851 -19.780 1.00 22.11 C ATOM 1073 CG2 VAL A 70 -1.481 13.759 -20.419 1.00 50.32 C ATOM 0 H VAL A 70 -0.980 13.893 -17.848 1.00 13.40 H new ATOM 0 HA VAL A 70 0.248 16.212 -18.713 1.00 53.12 H new ATOM 0 HB VAL A 70 -0.085 15.256 -21.011 1.00 23.33 H new ATOM 0 HG11 VAL A 70 1.165 13.175 -20.604 1.00 22.11 H new ATOM 0 HG12 VAL A 70 1.784 14.521 -19.618 1.00 22.11 H new ATOM 0 HG13 VAL A 70 0.757 13.271 -18.875 1.00 22.11 H new ATOM 0 HG21 VAL A 70 -1.222 13.084 -21.235 1.00 50.32 H new ATOM 0 HG22 VAL A 70 -1.728 13.177 -19.531 1.00 50.32 H new ATOM 0 HG23 VAL A 70 -2.341 14.364 -20.707 1.00 50.32 H new ATOM 1083 N GLY A 71 -2.993 16.162 -19.224 1.00 20.10 N ATOM 1084 CA GLY A 71 -4.122 16.984 -19.620 1.00 23.33 C ATOM 1085 C GLY A 71 -4.437 18.064 -18.604 1.00 31.42 C ATOM 1086 O GLY A 71 -4.548 19.238 -18.952 1.00 53.44 O ATOM 0 H GLY A 71 -3.241 15.270 -18.796 1.00 20.10 H new ATOM 0 HA2 GLY A 71 -3.910 17.447 -20.584 1.00 23.33 H new ATOM 0 HA3 GLY A 71 -4.999 16.351 -19.756 1.00 23.33 H new ATOM 1090 N GLU A 72 -4.583 17.665 -17.344 1.00 72.52 N ATOM 1091 CA GLU A 72 -4.890 18.608 -16.275 1.00 75.25 C ATOM 1092 C GLU A 72 -3.899 19.768 -16.272 1.00 21.21 C ATOM 1093 O GLU A 72 -4.286 20.930 -16.145 1.00 34.54 O ATOM 1094 CB GLU A 72 -4.869 17.900 -14.919 1.00 14.41 C ATOM 1095 CG GLU A 72 -6.253 17.630 -14.352 1.00 0.22 C ATOM 1096 CD GLU A 72 -6.425 18.177 -12.948 1.00 52.31 C ATOM 1097 OE1 GLU A 72 -5.422 18.232 -12.206 1.00 61.12 O ATOM 1098 OE2 GLU A 72 -7.562 18.550 -12.591 1.00 51.24 O ATOM 0 H GLU A 72 -4.494 16.696 -17.039 1.00 72.52 H new ATOM 0 HA GLU A 72 -5.889 19.007 -16.452 1.00 75.25 H new ATOM 0 HB2 GLU A 72 -4.336 16.954 -15.020 1.00 14.41 H new ATOM 0 HB3 GLU A 72 -4.307 18.508 -14.210 1.00 14.41 H new ATOM 0 HG2 GLU A 72 -7.003 18.076 -15.006 1.00 0.22 H new ATOM 0 HG3 GLU A 72 -6.435 16.555 -14.344 1.00 0.22 H new ATOM 1105 N TYR A 73 -2.618 19.444 -16.412 1.00 34.11 N ATOM 1106 CA TYR A 73 -1.570 20.457 -16.422 1.00 13.42 C ATOM 1107 C TYR A 73 -1.709 21.372 -17.635 1.00 5.21 C ATOM 1108 O TYR A 73 -1.569 22.591 -17.527 1.00 42.35 O ATOM 1109 CB TYR A 73 -0.191 19.795 -16.423 1.00 14.30 C ATOM 1110 CG TYR A 73 0.916 20.702 -15.934 1.00 71.45 C ATOM 1111 CD1 TYR A 73 0.998 21.072 -14.598 1.00 24.44 C ATOM 1112 CD2 TYR A 73 1.879 21.189 -16.809 1.00 70.34 C ATOM 1113 CE1 TYR A 73 2.008 21.900 -14.147 1.00 12.03 C ATOM 1114 CE2 TYR A 73 2.893 22.016 -16.367 1.00 53.21 C ATOM 1115 CZ TYR A 73 2.953 22.369 -15.035 1.00 52.31 C ATOM 1116 OH TYR A 73 3.960 23.195 -14.591 1.00 23.41 O ATOM 0 H TYR A 73 -2.281 18.487 -16.520 1.00 34.11 H new ATOM 0 HA TYR A 73 -1.674 21.061 -15.520 1.00 13.42 H new ATOM 0 HB2 TYR A 73 -0.224 18.905 -15.795 1.00 14.30 H new ATOM 0 HB3 TYR A 73 0.043 19.463 -17.435 1.00 14.30 H new ATOM 0 HD1 TYR A 73 0.260 20.706 -13.900 1.00 24.44 H new ATOM 0 HD2 TYR A 73 1.834 20.916 -17.853 1.00 70.34 H new ATOM 0 HE1 TYR A 73 2.057 22.178 -13.105 1.00 12.03 H new ATOM 0 HE2 TYR A 73 3.635 22.384 -17.060 1.00 53.21 H new ATOM 0 HH TYR A 73 3.839 23.374 -13.635 1.00 23.41 H new ATOM 1126 N LEU A 74 -1.985 20.775 -18.789 1.00 44.31 N ATOM 1127 CA LEU A 74 -2.143 21.535 -20.025 1.00 33.25 C ATOM 1128 C LEU A 74 -3.187 22.635 -19.857 1.00 63.33 C ATOM 1129 O LEU A 74 -2.994 23.761 -20.314 1.00 1.12 O ATOM 1130 CB LEU A 74 -2.545 20.604 -21.170 1.00 55.42 C ATOM 1131 CG LEU A 74 -1.810 20.814 -22.494 1.00 73.25 C ATOM 1132 CD1 LEU A 74 -1.867 22.275 -22.911 1.00 54.24 C ATOM 1133 CD2 LEU A 74 -0.367 20.345 -22.383 1.00 42.11 C ATOM 0 H LEU A 74 -2.104 19.768 -18.895 1.00 44.31 H new ATOM 0 HA LEU A 74 -1.187 22.001 -20.263 1.00 33.25 H new ATOM 0 HB2 LEU A 74 -2.386 19.575 -20.848 1.00 55.42 H new ATOM 0 HB3 LEU A 74 -3.614 20.720 -21.348 1.00 55.42 H new ATOM 0 HG LEU A 74 -2.306 20.219 -23.261 1.00 73.25 H new ATOM 0 HD11 LEU A 74 -1.339 22.405 -23.855 1.00 54.24 H new ATOM 0 HD12 LEU A 74 -2.907 22.578 -23.032 1.00 54.24 H new ATOM 0 HD13 LEU A 74 -1.397 22.891 -22.144 1.00 54.24 H new ATOM 0 HD21 LEU A 74 0.141 20.502 -23.335 1.00 42.11 H new ATOM 0 HD22 LEU A 74 0.141 20.912 -21.603 1.00 42.11 H new ATOM 0 HD23 LEU A 74 -0.347 19.284 -22.132 1.00 42.11 H new ATOM 1145 N MET A 75 -4.291 22.300 -19.198 1.00 52.22 N ATOM 1146 CA MET A 75 -5.364 23.261 -18.968 1.00 3.13 C ATOM 1147 C MET A 75 -4.868 24.441 -18.138 1.00 23.24 C ATOM 1148 O MET A 75 -5.075 25.599 -18.501 1.00 24.20 O ATOM 1149 CB MET A 75 -6.540 22.585 -18.262 1.00 34.43 C ATOM 1150 CG MET A 75 -7.880 23.246 -18.543 1.00 43.21 C ATOM 1151 SD MET A 75 -9.278 22.235 -18.020 1.00 64.41 S ATOM 1152 CE MET A 75 -10.017 23.294 -16.780 1.00 53.30 C ATOM 0 H MET A 75 -4.466 21.371 -18.814 1.00 52.22 H new ATOM 0 HA MET A 75 -5.697 23.635 -19.936 1.00 3.13 H new ATOM 0 HB2 MET A 75 -6.587 21.541 -18.572 1.00 34.43 H new ATOM 0 HB3 MET A 75 -6.360 22.591 -17.187 1.00 34.43 H new ATOM 0 HG2 MET A 75 -7.921 24.207 -18.031 1.00 43.21 H new ATOM 0 HG3 MET A 75 -7.963 23.449 -19.611 1.00 43.21 H new ATOM 0 HE1 MET A 75 -10.897 22.805 -16.362 1.00 53.30 H new ATOM 0 HE2 MET A 75 -9.295 23.483 -15.986 1.00 53.30 H new ATOM 0 HE3 MET A 75 -10.310 24.239 -17.237 1.00 53.30 H new ATOM 1162 N PHE A 76 -4.213 24.139 -17.021 1.00 45.34 N ATOM 1163 CA PHE A 76 -3.688 25.175 -16.139 1.00 52.32 C ATOM 1164 C PHE A 76 -2.633 26.015 -16.853 1.00 53.24 C ATOM 1165 O PHE A 76 -2.512 27.217 -16.613 1.00 60.02 O ATOM 1166 CB PHE A 76 -3.089 24.547 -14.879 1.00 62.35 C ATOM 1167 CG PHE A 76 -4.120 24.006 -13.931 1.00 21.14 C ATOM 1168 CD1 PHE A 76 -5.034 24.852 -13.324 1.00 52.03 C ATOM 1169 CD2 PHE A 76 -4.174 22.651 -13.645 1.00 13.24 C ATOM 1170 CE1 PHE A 76 -5.985 24.358 -12.451 1.00 24.51 C ATOM 1171 CE2 PHE A 76 -5.123 22.151 -12.772 1.00 64.15 C ATOM 1172 CZ PHE A 76 -6.028 23.005 -12.174 1.00 11.21 C ATOM 0 H PHE A 76 -4.033 23.186 -16.706 1.00 45.34 H new ATOM 0 HA PHE A 76 -4.514 25.827 -15.854 1.00 52.32 H new ATOM 0 HB2 PHE A 76 -2.416 23.741 -15.170 1.00 62.35 H new ATOM 0 HB3 PHE A 76 -2.487 25.294 -14.361 1.00 62.35 H new ATOM 0 HD1 PHE A 76 -5.003 25.911 -13.536 1.00 52.03 H new ATOM 0 HD2 PHE A 76 -3.468 21.978 -14.109 1.00 13.24 H new ATOM 0 HE1 PHE A 76 -6.693 25.028 -11.986 1.00 24.51 H new ATOM 0 HE2 PHE A 76 -5.156 21.093 -12.558 1.00 64.15 H new ATOM 0 HZ PHE A 76 -6.768 22.616 -11.491 1.00 11.21 H new ATOM 1182 N THR A 77 -1.871 25.374 -17.733 1.00 64.52 N ATOM 1183 CA THR A 77 -0.825 26.059 -18.481 1.00 43.25 C ATOM 1184 C THR A 77 -1.420 26.979 -19.541 1.00 41.41 C ATOM 1185 O THR A 77 -0.875 28.044 -19.829 1.00 5.43 O ATOM 1186 CB THR A 77 0.127 25.058 -19.163 1.00 71.02 C ATOM 1187 OG1 THR A 77 0.977 24.447 -18.186 1.00 43.32 O ATOM 1188 CG2 THR A 77 0.975 25.750 -20.219 1.00 51.53 C ATOM 0 H THR A 77 -1.959 24.380 -17.945 1.00 64.52 H new ATOM 0 HA THR A 77 -0.261 26.653 -17.762 1.00 43.25 H new ATOM 0 HB THR A 77 -0.476 24.291 -19.650 1.00 71.02 H new ATOM 0 HG1 THR A 77 0.484 23.741 -17.719 1.00 43.32 H new ATOM 0 HG21 THR A 77 1.639 25.023 -20.686 1.00 51.53 H new ATOM 0 HG22 THR A 77 0.326 26.188 -20.977 1.00 51.53 H new ATOM 0 HG23 THR A 77 1.569 26.535 -19.751 1.00 51.53 H new ATOM 1196 N MET A 78 -2.542 26.562 -20.118 1.00 62.32 N ATOM 1197 CA MET A 78 -3.212 27.351 -21.145 1.00 61.34 C ATOM 1198 C MET A 78 -3.658 28.700 -20.590 1.00 71.52 C ATOM 1199 O MET A 78 -3.419 29.742 -21.199 1.00 1.51 O ATOM 1200 CB MET A 78 -4.418 26.589 -21.698 1.00 13.03 C ATOM 1201 CG MET A 78 -4.181 25.992 -23.075 1.00 73.32 C ATOM 1202 SD MET A 78 -4.349 27.206 -24.397 1.00 53.32 S ATOM 1203 CE MET A 78 -2.694 27.192 -25.082 1.00 54.42 C ATOM 0 H MET A 78 -3.006 25.682 -19.892 1.00 62.32 H new ATOM 0 HA MET A 78 -2.502 27.528 -21.953 1.00 61.34 H new ATOM 0 HB2 MET A 78 -4.681 25.790 -21.005 1.00 13.03 H new ATOM 0 HB3 MET A 78 -5.273 27.264 -21.746 1.00 13.03 H new ATOM 0 HG2 MET A 78 -3.182 25.557 -23.111 1.00 73.32 H new ATOM 0 HG3 MET A 78 -4.888 25.180 -23.241 1.00 73.32 H new ATOM 0 HE1 MET A 78 -2.638 27.895 -25.913 1.00 54.42 H new ATOM 0 HE2 MET A 78 -1.979 27.482 -24.312 1.00 54.42 H new ATOM 0 HE3 MET A 78 -2.456 26.190 -25.439 1.00 54.42 H new ATOM 1213 N VAL A 79 -4.308 28.672 -19.431 1.00 31.30 N ATOM 1214 CA VAL A 79 -4.787 29.892 -18.794 1.00 11.35 C ATOM 1215 C VAL A 79 -3.626 30.732 -18.272 1.00 34.33 C ATOM 1216 O VAL A 79 -3.723 31.956 -18.181 1.00 2.30 O ATOM 1217 CB VAL A 79 -5.744 29.579 -17.628 1.00 70.41 C ATOM 1218 CG1 VAL A 79 -5.091 28.619 -16.644 1.00 54.35 C ATOM 1219 CG2 VAL A 79 -6.172 30.861 -16.931 1.00 1.04 C ATOM 0 H VAL A 79 -4.515 27.817 -18.914 1.00 31.30 H new ATOM 0 HA VAL A 79 -5.326 30.455 -19.556 1.00 11.35 H new ATOM 0 HB VAL A 79 -6.635 29.098 -18.031 1.00 70.41 H new ATOM 0 HG11 VAL A 79 -5.782 28.410 -15.827 1.00 54.35 H new ATOM 0 HG12 VAL A 79 -4.840 27.689 -17.155 1.00 54.35 H new ATOM 0 HG13 VAL A 79 -4.183 29.070 -16.244 1.00 54.35 H new ATOM 0 HG21 VAL A 79 -6.848 30.621 -16.110 1.00 1.04 H new ATOM 0 HG22 VAL A 79 -5.293 31.373 -16.539 1.00 1.04 H new ATOM 0 HG23 VAL A 79 -6.682 31.509 -17.643 1.00 1.04 H new ATOM 1229 N LEU A 80 -2.529 30.066 -17.930 1.00 62.11 N ATOM 1230 CA LEU A 80 -1.347 30.750 -17.417 1.00 51.42 C ATOM 1231 C LEU A 80 -0.612 31.481 -18.537 1.00 21.54 C ATOM 1232 O LEU A 80 -0.182 32.622 -18.370 1.00 23.11 O ATOM 1233 CB LEU A 80 -0.407 29.750 -16.742 1.00 12.43 C ATOM 1234 CG LEU A 80 -0.198 29.936 -15.238 1.00 61.14 C ATOM 1235 CD1 LEU A 80 0.377 31.313 -14.945 1.00 51.04 C ATOM 1236 CD2 LEU A 80 -1.506 29.731 -14.489 1.00 12.44 C ATOM 0 H LEU A 80 -2.433 29.053 -17.999 1.00 62.11 H new ATOM 0 HA LEU A 80 -1.674 31.485 -16.681 1.00 51.42 H new ATOM 0 HB2 LEU A 80 -0.794 28.745 -16.913 1.00 12.43 H new ATOM 0 HB3 LEU A 80 0.564 29.806 -17.233 1.00 12.43 H new ATOM 0 HG LEU A 80 0.515 29.187 -14.894 1.00 61.14 H new ATOM 0 HD11 LEU A 80 0.519 31.427 -13.870 1.00 51.04 H new ATOM 0 HD12 LEU A 80 1.336 31.422 -15.451 1.00 51.04 H new ATOM 0 HD13 LEU A 80 -0.311 32.078 -15.303 1.00 51.04 H new ATOM 0 HD21 LEU A 80 -1.339 29.867 -13.421 1.00 12.44 H new ATOM 0 HD22 LEU A 80 -2.242 30.456 -14.836 1.00 12.44 H new ATOM 0 HD23 LEU A 80 -1.876 28.722 -14.673 1.00 12.44 H new ATOM 1248 N VAL A 81 -0.473 30.815 -19.679 1.00 31.01 N ATOM 1249 CA VAL A 81 0.207 31.401 -20.828 1.00 11.54 C ATOM 1250 C VAL A 81 -0.564 32.600 -21.369 1.00 44.32 C ATOM 1251 O VAL A 81 0.013 33.656 -21.633 1.00 11.22 O ATOM 1252 CB VAL A 81 0.391 30.371 -21.957 1.00 62.32 C ATOM 1253 CG1 VAL A 81 0.733 31.067 -23.266 1.00 14.45 C ATOM 1254 CG2 VAL A 81 1.466 29.360 -21.586 1.00 14.05 C ATOM 0 H VAL A 81 -0.822 29.869 -19.833 1.00 31.01 H new ATOM 0 HA VAL A 81 1.188 31.728 -20.483 1.00 11.54 H new ATOM 0 HB VAL A 81 -0.549 29.836 -22.092 1.00 62.32 H new ATOM 0 HG11 VAL A 81 0.859 30.322 -24.052 1.00 14.45 H new ATOM 0 HG12 VAL A 81 -0.074 31.748 -23.538 1.00 14.45 H new ATOM 0 HG13 VAL A 81 1.659 31.630 -23.148 1.00 14.45 H new ATOM 0 HG21 VAL A 81 1.583 28.639 -22.396 1.00 14.05 H new ATOM 0 HG22 VAL A 81 2.411 29.878 -21.422 1.00 14.05 H new ATOM 0 HG23 VAL A 81 1.175 28.838 -20.675 1.00 14.05 H new ATOM 1264 N THR A 82 -1.872 32.431 -21.533 1.00 51.11 N ATOM 1265 CA THR A 82 -2.723 33.498 -22.044 1.00 3.50 C ATOM 1266 C THR A 82 -2.538 34.781 -21.241 1.00 64.01 C ATOM 1267 O THR A 82 -2.287 35.847 -21.804 1.00 25.11 O ATOM 1268 CB THR A 82 -4.209 33.096 -22.012 1.00 13.22 C ATOM 1269 OG1 THR A 82 -4.394 31.850 -22.692 1.00 54.15 O ATOM 1270 CG2 THR A 82 -5.074 34.167 -22.660 1.00 2.22 C ATOM 0 H THR A 82 -2.365 31.564 -21.319 1.00 51.11 H new ATOM 0 HA THR A 82 -2.424 33.673 -23.078 1.00 3.50 H new ATOM 0 HB THR A 82 -4.511 32.989 -20.970 1.00 13.22 H new ATOM 0 HG1 THR A 82 -4.127 31.113 -22.103 1.00 54.15 H new ATOM 0 HG21 THR A 82 -6.119 33.860 -22.625 1.00 2.22 H new ATOM 0 HG22 THR A 82 -4.953 35.107 -22.122 1.00 2.22 H new ATOM 0 HG23 THR A 82 -4.770 34.302 -23.698 1.00 2.22 H new ATOM 1278 N PHE A 83 -2.662 34.671 -19.923 1.00 13.34 N ATOM 1279 CA PHE A 83 -2.509 35.823 -19.042 1.00 1.33 C ATOM 1280 C PHE A 83 -1.061 36.303 -19.021 1.00 44.44 C ATOM 1281 O PHE A 83 -0.791 37.489 -18.832 1.00 51.51 O ATOM 1282 CB PHE A 83 -2.961 35.471 -17.623 1.00 53.21 C ATOM 1283 CG PHE A 83 -4.417 35.743 -17.373 1.00 51.33 C ATOM 1284 CD1 PHE A 83 -5.393 34.952 -17.956 1.00 75.24 C ATOM 1285 CD2 PHE A 83 -4.809 36.791 -16.556 1.00 33.03 C ATOM 1286 CE1 PHE A 83 -6.734 35.199 -17.728 1.00 51.23 C ATOM 1287 CE2 PHE A 83 -6.148 37.043 -16.324 1.00 32.14 C ATOM 1288 CZ PHE A 83 -7.112 36.247 -16.912 1.00 22.15 C ATOM 0 H PHE A 83 -2.868 33.796 -19.441 1.00 13.34 H new ATOM 0 HA PHE A 83 -3.135 36.628 -19.427 1.00 1.33 H new ATOM 0 HB2 PHE A 83 -2.760 34.416 -17.437 1.00 53.21 H new ATOM 0 HB3 PHE A 83 -2.365 36.040 -16.909 1.00 53.21 H new ATOM 0 HD1 PHE A 83 -5.103 34.132 -18.597 1.00 75.24 H new ATOM 0 HD2 PHE A 83 -4.060 37.418 -16.095 1.00 33.03 H new ATOM 0 HE1 PHE A 83 -7.485 34.573 -18.187 1.00 51.23 H new ATOM 0 HE2 PHE A 83 -6.441 37.862 -15.683 1.00 32.14 H new ATOM 0 HZ PHE A 83 -8.159 36.444 -16.734 1.00 22.15 H new ATOM 1298 N SER A 84 -0.132 35.373 -19.217 1.00 71.42 N ATOM 1299 CA SER A 84 1.289 35.699 -19.217 1.00 61.31 C ATOM 1300 C SER A 84 1.623 36.672 -20.344 1.00 23.32 C ATOM 1301 O SER A 84 2.215 37.727 -20.112 1.00 73.33 O ATOM 1302 CB SER A 84 2.126 34.426 -19.362 1.00 10.21 C ATOM 1303 OG SER A 84 2.480 33.902 -18.094 1.00 71.40 O ATOM 0 H SER A 84 -0.338 34.387 -19.378 1.00 71.42 H new ATOM 0 HA SER A 84 1.527 36.176 -18.266 1.00 61.31 H new ATOM 0 HB2 SER A 84 1.564 33.680 -19.924 1.00 10.21 H new ATOM 0 HB3 SER A 84 3.028 34.643 -19.934 1.00 10.21 H new ATOM 0 HG SER A 84 1.764 33.316 -17.771 1.00 71.40 H new ATOM 1309 N ILE A 85 1.240 36.309 -21.563 1.00 64.13 N ATOM 1310 CA ILE A 85 1.498 37.149 -22.726 1.00 11.30 C ATOM 1311 C ILE A 85 0.954 38.558 -22.517 1.00 54.41 C ATOM 1312 O ILE A 85 1.655 39.546 -22.738 1.00 60.30 O ATOM 1313 CB ILE A 85 0.873 36.553 -24.001 1.00 54.30 C ATOM 1314 CG1 ILE A 85 1.555 35.232 -24.360 1.00 72.31 C ATOM 1315 CG2 ILE A 85 0.978 37.540 -25.154 1.00 1.41 C ATOM 1316 CD1 ILE A 85 2.937 35.406 -24.949 1.00 23.33 C ATOM 0 H ILE A 85 0.750 35.439 -21.771 1.00 64.13 H new ATOM 0 HA ILE A 85 2.580 37.194 -22.849 1.00 11.30 H new ATOM 0 HB ILE A 85 -0.182 36.356 -23.812 1.00 54.30 H new ATOM 0 HG12 ILE A 85 1.626 34.614 -23.465 1.00 72.31 H new ATOM 0 HG13 ILE A 85 0.931 34.692 -25.072 1.00 72.31 H new ATOM 0 HG21 ILE A 85 0.532 37.104 -26.048 1.00 1.41 H new ATOM 0 HG22 ILE A 85 0.450 38.458 -24.896 1.00 1.41 H new ATOM 0 HG23 ILE A 85 2.027 37.766 -25.345 1.00 1.41 H new ATOM 0 HD11 ILE A 85 3.360 34.428 -25.179 1.00 23.33 H new ATOM 0 HD12 ILE A 85 2.871 35.997 -25.862 1.00 23.33 H new ATOM 0 HD13 ILE A 85 3.577 35.918 -24.230 1.00 23.33 H new ATOM 1328 N VAL A 86 -0.302 38.644 -22.088 1.00 44.51 N ATOM 1329 CA VAL A 86 -0.940 39.933 -21.846 1.00 31.30 C ATOM 1330 C VAL A 86 -0.083 40.810 -20.940 1.00 64.45 C ATOM 1331 O VAL A 86 0.306 41.916 -21.315 1.00 42.34 O ATOM 1332 CB VAL A 86 -2.331 39.759 -21.207 1.00 25.44 C ATOM 1333 CG1 VAL A 86 -2.775 41.049 -20.534 1.00 64.23 C ATOM 1334 CG2 VAL A 86 -3.345 39.315 -22.250 1.00 44.12 C ATOM 0 H VAL A 86 -0.897 37.837 -21.901 1.00 44.51 H new ATOM 0 HA VAL A 86 -1.051 40.418 -22.816 1.00 31.30 H new ATOM 0 HB VAL A 86 -2.266 38.983 -20.444 1.00 25.44 H new ATOM 0 HG11 VAL A 86 -3.760 40.907 -20.088 1.00 64.23 H new ATOM 0 HG12 VAL A 86 -2.060 41.318 -19.756 1.00 64.23 H new ATOM 0 HG13 VAL A 86 -2.824 41.848 -21.274 1.00 64.23 H new ATOM 0 HG21 VAL A 86 -4.322 39.197 -21.781 1.00 44.12 H new ATOM 0 HG22 VAL A 86 -3.409 40.066 -23.038 1.00 44.12 H new ATOM 0 HG23 VAL A 86 -3.032 38.364 -22.680 1.00 44.12 H new ATOM 1344 N THR A 87 0.210 40.308 -19.745 1.00 23.23 N ATOM 1345 CA THR A 87 1.022 41.045 -18.784 1.00 54.03 C ATOM 1346 C THR A 87 2.387 41.391 -19.368 1.00 74.33 C ATOM 1347 O THR A 87 2.988 42.402 -19.008 1.00 42.54 O ATOM 1348 CB THR A 87 1.220 40.243 -17.484 1.00 43.31 C ATOM 1349 OG1 THR A 87 1.161 38.839 -17.760 1.00 51.53 O ATOM 1350 CG2 THR A 87 0.160 40.608 -16.456 1.00 2.30 C ATOM 0 H THR A 87 -0.103 39.394 -19.419 1.00 23.23 H new ATOM 0 HA THR A 87 0.484 41.965 -18.556 1.00 54.03 H new ATOM 0 HB THR A 87 2.200 40.491 -17.076 1.00 43.31 H new ATOM 0 HG1 THR A 87 0.225 38.552 -17.795 1.00 51.53 H new ATOM 0 HG21 THR A 87 0.320 40.029 -15.547 1.00 2.30 H new ATOM 0 HG22 THR A 87 0.227 41.671 -16.226 1.00 2.30 H new ATOM 0 HG23 THR A 87 -0.828 40.386 -16.858 1.00 2.30 H new ATOM 1358 N SER A 88 2.870 40.544 -20.272 1.00 40.30 N ATOM 1359 CA SER A 88 4.166 40.759 -20.904 1.00 44.21 C ATOM 1360 C SER A 88 4.140 42.002 -21.788 1.00 43.41 C ATOM 1361 O SER A 88 4.895 42.950 -21.569 1.00 13.32 O ATOM 1362 CB SER A 88 4.561 39.537 -21.735 1.00 62.21 C ATOM 1363 OG SER A 88 5.791 38.992 -21.289 1.00 10.33 O ATOM 0 H SER A 88 2.383 39.703 -20.583 1.00 40.30 H new ATOM 0 HA SER A 88 4.905 40.909 -20.117 1.00 44.21 H new ATOM 0 HB2 SER A 88 3.779 38.780 -21.669 1.00 62.21 H new ATOM 0 HB3 SER A 88 4.644 39.819 -22.785 1.00 62.21 H new ATOM 0 HG SER A 88 6.020 38.211 -21.835 1.00 10.33 H new ATOM 1369 N VAL A 89 3.266 41.991 -22.789 1.00 71.22 N ATOM 1370 CA VAL A 89 3.139 43.117 -23.707 1.00 23.31 C ATOM 1371 C VAL A 89 2.736 44.387 -22.966 1.00 70.31 C ATOM 1372 O VAL A 89 3.124 45.491 -23.349 1.00 61.14 O ATOM 1373 CB VAL A 89 2.104 42.828 -24.810 1.00 12.11 C ATOM 1374 CG1 VAL A 89 2.023 43.993 -25.785 1.00 64.30 C ATOM 1375 CG2 VAL A 89 2.446 41.536 -25.537 1.00 1.34 C ATOM 0 H VAL A 89 2.635 41.214 -22.985 1.00 71.22 H new ATOM 0 HA VAL A 89 4.117 43.263 -24.167 1.00 23.31 H new ATOM 0 HB VAL A 89 1.126 42.707 -24.344 1.00 12.11 H new ATOM 0 HG11 VAL A 89 1.287 43.771 -26.557 1.00 64.30 H new ATOM 0 HG12 VAL A 89 1.727 44.895 -25.250 1.00 64.30 H new ATOM 0 HG13 VAL A 89 2.998 44.149 -26.247 1.00 64.30 H new ATOM 0 HG21 VAL A 89 1.704 41.348 -26.313 1.00 1.34 H new ATOM 0 HG22 VAL A 89 3.432 41.625 -25.992 1.00 1.34 H new ATOM 0 HG23 VAL A 89 2.447 40.709 -24.827 1.00 1.34 H new ATOM 1385 N CYS A 90 1.956 44.223 -21.904 1.00 31.54 N ATOM 1386 CA CYS A 90 1.499 45.357 -21.108 1.00 20.50 C ATOM 1387 C CYS A 90 2.682 46.131 -20.536 1.00 52.10 C ATOM 1388 O CYS A 90 2.681 47.362 -20.517 1.00 14.12 O ATOM 1389 CB CYS A 90 0.591 44.878 -19.974 1.00 60.12 C ATOM 1390 SG CYS A 90 -1.157 44.768 -20.424 1.00 43.44 S ATOM 0 H CYS A 90 1.627 43.316 -21.574 1.00 31.54 H new ATOM 0 HA CYS A 90 0.933 46.023 -21.760 1.00 20.50 H new ATOM 0 HB2 CYS A 90 0.931 43.898 -19.640 1.00 60.12 H new ATOM 0 HB3 CYS A 90 0.695 45.557 -19.128 1.00 60.12 H new ATOM 0 HG CYS A 90 -1.843 44.352 -19.401 1.00 43.44 H new ATOM 1396 N VAL A 91 3.690 45.402 -20.069 1.00 62.30 N ATOM 1397 CA VAL A 91 4.880 46.020 -19.496 1.00 33.24 C ATOM 1398 C VAL A 91 5.773 46.606 -20.583 1.00 53.41 C ATOM 1399 O VAL A 91 6.434 47.625 -20.376 1.00 65.43 O ATOM 1400 CB VAL A 91 5.694 45.008 -18.668 1.00 4.11 C ATOM 1401 CG1 VAL A 91 7.134 45.476 -18.519 1.00 61.03 C ATOM 1402 CG2 VAL A 91 5.051 44.794 -17.306 1.00 44.00 C ATOM 0 H VAL A 91 3.707 44.382 -20.076 1.00 62.30 H new ATOM 0 HA VAL A 91 4.537 46.821 -18.842 1.00 33.24 H new ATOM 0 HB VAL A 91 5.699 44.054 -19.195 1.00 4.11 H new ATOM 0 HG11 VAL A 91 7.694 44.749 -17.931 1.00 61.03 H new ATOM 0 HG12 VAL A 91 7.589 45.573 -19.505 1.00 61.03 H new ATOM 0 HG13 VAL A 91 7.152 46.442 -18.014 1.00 61.03 H new ATOM 0 HG21 VAL A 91 5.639 44.076 -16.735 1.00 44.00 H new ATOM 0 HG22 VAL A 91 5.013 45.742 -16.769 1.00 44.00 H new ATOM 0 HG23 VAL A 91 4.039 44.411 -17.438 1.00 44.00 H new ATOM 1412 N LEU A 92 5.787 45.958 -21.743 1.00 13.34 N ATOM 1413 CA LEU A 92 6.598 46.416 -22.865 1.00 64.11 C ATOM 1414 C LEU A 92 6.214 47.835 -23.272 1.00 61.33 C ATOM 1415 O LEU A 92 7.000 48.769 -23.121 1.00 21.22 O ATOM 1416 CB LEU A 92 6.437 45.470 -24.056 1.00 74.21 C ATOM 1417 CG LEU A 92 7.713 44.787 -24.549 1.00 51.22 C ATOM 1418 CD1 LEU A 92 7.377 43.525 -25.328 1.00 35.34 C ATOM 1419 CD2 LEU A 92 8.531 45.742 -25.406 1.00 65.10 C ATOM 0 H LEU A 92 5.246 45.114 -21.931 1.00 13.34 H new ATOM 0 HA LEU A 92 7.641 46.419 -22.550 1.00 64.11 H new ATOM 0 HB2 LEU A 92 5.717 44.698 -23.786 1.00 74.21 H new ATOM 0 HB3 LEU A 92 6.006 46.032 -24.885 1.00 74.21 H new ATOM 0 HG LEU A 92 8.310 44.505 -23.681 1.00 51.22 H new ATOM 0 HD11 LEU A 92 8.298 43.053 -25.671 1.00 35.34 H new ATOM 0 HD12 LEU A 92 6.833 42.834 -24.684 1.00 35.34 H new ATOM 0 HD13 LEU A 92 6.759 43.782 -26.188 1.00 35.34 H new ATOM 0 HD21 LEU A 92 9.436 45.240 -25.748 1.00 65.10 H new ATOM 0 HD22 LEU A 92 7.941 46.054 -26.268 1.00 65.10 H new ATOM 0 HD23 LEU A 92 8.803 46.618 -24.817 1.00 65.10 H new ATOM 1632 N GLY A 108 2.689 50.164 -8.795 1.00 12.43 N ATOM 1633 CA GLY A 108 2.862 48.886 -8.129 1.00 43.44 C ATOM 1634 C GLY A 108 2.513 47.714 -9.025 1.00 0.31 C ATOM 1635 O GLY A 108 2.396 46.581 -8.558 1.00 25.02 O ATOM 0 HA2 GLY A 108 3.896 48.790 -7.796 1.00 43.44 H new ATOM 0 HA3 GLY A 108 2.236 48.857 -7.237 1.00 43.44 H new ATOM 1639 N ILE A 109 2.344 47.987 -10.314 1.00 70.14 N ATOM 1640 CA ILE A 109 2.005 46.946 -11.277 1.00 22.23 C ATOM 1641 C ILE A 109 2.961 45.763 -11.166 1.00 61.10 C ATOM 1642 O ILE A 109 2.560 44.610 -11.330 1.00 44.41 O ATOM 1643 CB ILE A 109 2.035 47.482 -12.720 1.00 51.11 C ATOM 1644 CG1 ILE A 109 1.971 46.325 -13.719 1.00 34.22 C ATOM 1645 CG2 ILE A 109 3.286 48.318 -12.949 1.00 74.40 C ATOM 1646 CD1 ILE A 109 3.326 45.894 -14.233 1.00 5.21 C ATOM 0 H ILE A 109 2.436 48.920 -10.716 1.00 70.14 H new ATOM 0 HA ILE A 109 0.993 46.616 -11.042 1.00 22.23 H new ATOM 0 HB ILE A 109 1.163 48.118 -12.873 1.00 51.11 H new ATOM 0 HG12 ILE A 109 1.484 45.473 -13.245 1.00 34.22 H new ATOM 0 HG13 ILE A 109 1.348 46.619 -14.564 1.00 34.22 H new ATOM 0 HG21 ILE A 109 3.293 48.690 -13.974 1.00 74.40 H new ATOM 0 HG22 ILE A 109 3.292 49.160 -12.257 1.00 74.40 H new ATOM 0 HG23 ILE A 109 4.170 47.703 -12.780 1.00 74.40 H new ATOM 0 HD11 ILE A 109 3.203 45.070 -14.936 1.00 5.21 H new ATOM 0 HD12 ILE A 109 3.808 46.732 -14.736 1.00 5.21 H new ATOM 0 HD13 ILE A 109 3.945 45.568 -13.397 1.00 5.21 H new ATOM 1658 N ASP A 110 4.226 46.056 -10.885 1.00 60.22 N ATOM 1659 CA ASP A 110 5.240 45.016 -10.749 1.00 54.23 C ATOM 1660 C ASP A 110 4.957 44.137 -9.535 1.00 51.01 C ATOM 1661 O ASP A 110 4.782 42.925 -9.661 1.00 53.04 O ATOM 1662 CB ASP A 110 6.630 45.642 -10.628 1.00 51.35 C ATOM 1663 CG ASP A 110 7.108 46.247 -11.934 1.00 11.00 C ATOM 1664 OD1 ASP A 110 6.464 45.998 -12.975 1.00 14.03 O ATOM 1665 OD2 ASP A 110 8.126 46.970 -11.915 1.00 33.01 O ATOM 0 H ASP A 110 4.574 47.005 -10.747 1.00 60.22 H new ATOM 0 HA ASP A 110 5.208 44.392 -11.642 1.00 54.23 H new ATOM 0 HB2 ASP A 110 6.612 46.414 -9.858 1.00 51.35 H new ATOM 0 HB3 ASP A 110 7.340 44.882 -10.301 1.00 51.35 H new ATOM 1670 N ARG A 111 4.915 44.756 -8.360 1.00 30.23 N ATOM 1671 CA ARG A 111 4.656 44.029 -7.123 1.00 1.25 C ATOM 1672 C ARG A 111 3.352 43.242 -7.217 1.00 43.10 C ATOM 1673 O ARG A 111 3.183 42.219 -6.552 1.00 55.12 O ATOM 1674 CB ARG A 111 4.595 44.998 -5.940 1.00 52.13 C ATOM 1675 CG ARG A 111 5.841 44.976 -5.070 1.00 14.51 C ATOM 1676 CD ARG A 111 7.094 45.261 -5.883 1.00 74.34 C ATOM 1677 NE ARG A 111 8.203 45.705 -5.043 1.00 55.04 N ATOM 1678 CZ ARG A 111 9.422 45.955 -5.508 1.00 13.44 C ATOM 1679 NH1 ARG A 111 9.687 45.806 -6.798 1.00 52.31 N ATOM 1680 NH2 ARG A 111 10.379 46.356 -4.680 1.00 55.44 N ATOM 0 H ARG A 111 5.057 45.759 -8.238 1.00 30.23 H new ATOM 0 HA ARG A 111 5.474 43.326 -6.967 1.00 1.25 H new ATOM 0 HB2 ARG A 111 4.443 46.009 -6.317 1.00 52.13 H new ATOM 0 HB3 ARG A 111 3.729 44.754 -5.325 1.00 52.13 H new ATOM 0 HG2 ARG A 111 5.745 45.717 -4.276 1.00 14.51 H new ATOM 0 HG3 ARG A 111 5.932 44.003 -4.588 1.00 14.51 H new ATOM 0 HD2 ARG A 111 7.387 44.361 -6.424 1.00 74.34 H new ATOM 0 HD3 ARG A 111 6.876 46.025 -6.629 1.00 74.34 H new ATOM 0 HE ARG A 111 8.032 45.830 -4.045 1.00 55.04 H new ATOM 0 HH11 ARG A 111 8.954 45.499 -7.437 1.00 52.31 H new ATOM 0 HH12 ARG A 111 10.624 45.999 -7.152 1.00 52.31 H new ATOM 0 HH21 ARG A 111 10.178 46.472 -3.687 1.00 55.44 H new ATOM 0 HH22 ARG A 111 11.315 46.548 -5.037 1.00 55.44 H new ATOM 1694 N LEU A 112 2.434 43.726 -8.046 1.00 61.23 N ATOM 1695 CA LEU A 112 1.145 43.068 -8.228 1.00 13.10 C ATOM 1696 C LEU A 112 1.315 41.717 -8.914 1.00 72.35 C ATOM 1697 O LEU A 112 0.910 40.683 -8.382 1.00 62.21 O ATOM 1698 CB LEU A 112 0.208 43.956 -9.049 1.00 64.04 C ATOM 1699 CG LEU A 112 -0.887 44.682 -8.267 1.00 23.42 C ATOM 1700 CD1 LEU A 112 -1.593 45.696 -9.153 1.00 34.41 C ATOM 1701 CD2 LEU A 112 -1.883 43.684 -7.695 1.00 14.24 C ATOM 0 H LEU A 112 2.558 44.572 -8.603 1.00 61.23 H new ATOM 0 HA LEU A 112 0.708 42.902 -7.243 1.00 13.10 H new ATOM 0 HB2 LEU A 112 0.810 44.701 -9.569 1.00 64.04 H new ATOM 0 HB3 LEU A 112 -0.267 43.340 -9.813 1.00 64.04 H new ATOM 0 HG LEU A 112 -0.423 45.217 -7.439 1.00 23.42 H new ATOM 0 HD11 LEU A 112 -2.369 46.203 -8.579 1.00 34.41 H new ATOM 0 HD12 LEU A 112 -0.871 46.429 -9.514 1.00 34.41 H new ATOM 0 HD13 LEU A 112 -2.046 45.184 -10.002 1.00 34.41 H new ATOM 0 HD21 LEU A 112 -2.656 44.218 -7.141 1.00 14.24 H new ATOM 0 HD22 LEU A 112 -2.342 43.121 -8.508 1.00 14.24 H new ATOM 0 HD23 LEU A 112 -1.366 42.997 -7.025 1.00 14.24 H new ATOM 1713 N PHE A 113 1.918 41.732 -10.099 1.00 12.04 N ATOM 1714 CA PHE A 113 2.143 40.508 -10.858 1.00 20.52 C ATOM 1715 C PHE A 113 3.201 39.637 -10.185 1.00 15.20 C ATOM 1716 O PHE A 113 3.230 38.420 -10.372 1.00 1.02 O ATOM 1717 CB PHE A 113 2.575 40.841 -12.287 1.00 74.34 C ATOM 1718 CG PHE A 113 3.607 39.898 -12.837 1.00 52.11 C ATOM 1719 CD1 PHE A 113 3.226 38.747 -13.508 1.00 14.21 C ATOM 1720 CD2 PHE A 113 4.958 40.163 -12.683 1.00 50.15 C ATOM 1721 CE1 PHE A 113 4.173 37.878 -14.014 1.00 24.21 C ATOM 1722 CE2 PHE A 113 5.910 39.298 -13.188 1.00 24.42 C ATOM 1723 CZ PHE A 113 5.517 38.154 -13.855 1.00 24.12 C ATOM 0 H PHE A 113 2.259 42.579 -10.554 1.00 12.04 H new ATOM 0 HA PHE A 113 1.206 39.952 -10.889 1.00 20.52 H new ATOM 0 HB2 PHE A 113 1.699 40.826 -12.935 1.00 74.34 H new ATOM 0 HB3 PHE A 113 2.972 41.856 -12.311 1.00 74.34 H new ATOM 0 HD1 PHE A 113 2.177 38.527 -13.637 1.00 14.21 H new ATOM 0 HD2 PHE A 113 5.271 41.056 -12.162 1.00 50.15 H new ATOM 0 HE1 PHE A 113 3.863 36.983 -14.534 1.00 24.21 H new ATOM 0 HE2 PHE A 113 6.960 39.516 -13.061 1.00 24.42 H new ATOM 0 HZ PHE A 113 6.259 37.477 -14.251 1.00 24.12 H new ATOM 1733 N LEU A 114 4.068 40.270 -9.402 1.00 74.41 N ATOM 1734 CA LEU A 114 5.128 39.554 -8.701 1.00 3.31 C ATOM 1735 C LEU A 114 4.551 38.654 -7.613 1.00 42.31 C ATOM 1736 O LEU A 114 4.970 37.507 -7.456 1.00 51.41 O ATOM 1737 CB LEU A 114 6.119 40.545 -8.087 1.00 12.12 C ATOM 1738 CG LEU A 114 7.335 40.897 -8.944 1.00 53.44 C ATOM 1739 CD1 LEU A 114 7.587 42.397 -8.923 1.00 31.05 C ATOM 1740 CD2 LEU A 114 8.564 40.141 -8.463 1.00 22.11 C ATOM 0 H LEU A 114 4.058 41.276 -9.237 1.00 74.41 H new ATOM 0 HA LEU A 114 5.650 38.928 -9.425 1.00 3.31 H new ATOM 0 HB2 LEU A 114 5.584 41.466 -7.855 1.00 12.12 H new ATOM 0 HB3 LEU A 114 6.473 40.135 -7.141 1.00 12.12 H new ATOM 0 HG LEU A 114 7.129 40.598 -9.972 1.00 53.44 H new ATOM 0 HD11 LEU A 114 8.456 42.629 -9.538 1.00 31.05 H new ATOM 0 HD12 LEU A 114 6.714 42.918 -9.317 1.00 31.05 H new ATOM 0 HD13 LEU A 114 7.771 42.721 -7.899 1.00 31.05 H new ATOM 0 HD21 LEU A 114 9.420 40.404 -9.085 1.00 22.11 H new ATOM 0 HD22 LEU A 114 8.773 40.408 -7.427 1.00 22.11 H new ATOM 0 HD23 LEU A 114 8.382 39.069 -8.532 1.00 22.11 H new ATOM 1752 N TRP A 115 3.587 39.181 -6.867 1.00 3.13 N ATOM 1753 CA TRP A 115 2.951 38.424 -5.795 1.00 12.02 C ATOM 1754 C TRP A 115 1.895 37.475 -6.351 1.00 52.41 C ATOM 1755 O TRP A 115 1.795 36.324 -5.925 1.00 2.41 O ATOM 1756 CB TRP A 115 2.316 39.375 -4.779 1.00 33.33 C ATOM 1757 CG TRP A 115 1.771 38.675 -3.570 1.00 42.03 C ATOM 1758 CD1 TRP A 115 2.417 37.755 -2.795 1.00 64.45 C ATOM 1759 CD2 TRP A 115 0.468 38.838 -3.000 1.00 50.22 C ATOM 1760 NE1 TRP A 115 1.594 37.336 -1.778 1.00 63.30 N ATOM 1761 CE2 TRP A 115 0.393 37.986 -1.881 1.00 3.11 C ATOM 1762 CE3 TRP A 115 -0.642 39.622 -3.325 1.00 11.42 C ATOM 1763 CZ2 TRP A 115 -0.748 37.897 -1.088 1.00 41.43 C ATOM 1764 CZ3 TRP A 115 -1.774 39.533 -2.537 1.00 71.13 C ATOM 1765 CH2 TRP A 115 -1.820 38.676 -1.429 1.00 50.43 C ATOM 0 H TRP A 115 3.229 40.129 -6.984 1.00 3.13 H new ATOM 0 HA TRP A 115 3.719 37.831 -5.297 1.00 12.02 H new ATOM 0 HB2 TRP A 115 3.060 40.106 -4.462 1.00 33.33 H new ATOM 0 HB3 TRP A 115 1.511 39.928 -5.263 1.00 33.33 H new ATOM 0 HD1 TRP A 115 3.427 37.408 -2.958 1.00 64.45 H new ATOM 0 HE1 TRP A 115 1.838 36.652 -1.062 1.00 63.30 H new ATOM 0 HE3 TRP A 115 -0.616 40.286 -4.177 1.00 11.42 H new ATOM 0 HZ2 TRP A 115 -0.786 37.237 -0.234 1.00 41.43 H new ATOM 0 HZ3 TRP A 115 -2.638 40.134 -2.779 1.00 71.13 H new ATOM 0 HH2 TRP A 115 -2.719 38.630 -0.833 1.00 50.43 H new ATOM 1776 N ILE A 116 1.109 37.965 -7.304 1.00 61.03 N ATOM 1777 CA ILE A 116 0.062 37.159 -7.919 1.00 14.10 C ATOM 1778 C ILE A 116 0.632 35.876 -8.513 1.00 24.44 C ATOM 1779 O ILE A 116 -0.075 34.879 -8.661 1.00 54.35 O ATOM 1780 CB ILE A 116 -0.674 37.940 -9.024 1.00 62.22 C ATOM 1781 CG1 ILE A 116 -2.153 37.549 -9.057 1.00 42.01 C ATOM 1782 CG2 ILE A 116 -0.023 37.685 -10.375 1.00 61.15 C ATOM 1783 CD1 ILE A 116 -3.070 38.686 -9.449 1.00 43.42 C ATOM 0 H ILE A 116 1.178 38.916 -7.667 1.00 61.03 H new ATOM 0 HA ILE A 116 -0.646 36.907 -7.130 1.00 14.10 H new ATOM 0 HB ILE A 116 -0.604 39.005 -8.804 1.00 62.22 H new ATOM 0 HG12 ILE A 116 -2.287 36.726 -9.759 1.00 42.01 H new ATOM 0 HG13 ILE A 116 -2.445 37.180 -8.074 1.00 42.01 H new ATOM 0 HG21 ILE A 116 -0.554 38.243 -11.146 1.00 61.15 H new ATOM 0 HG22 ILE A 116 1.017 38.008 -10.344 1.00 61.15 H new ATOM 0 HG23 ILE A 116 -0.065 36.620 -10.604 1.00 61.15 H new ATOM 0 HD11 ILE A 116 -4.102 38.336 -9.451 1.00 43.42 H new ATOM 0 HD12 ILE A 116 -2.965 39.502 -8.734 1.00 43.42 H new ATOM 0 HD13 ILE A 116 -2.805 39.041 -10.445 1.00 43.42 H new ATOM 1795 N PHE A 117 1.918 35.906 -8.849 1.00 12.25 N ATOM 1796 CA PHE A 117 2.585 34.745 -9.425 1.00 60.13 C ATOM 1797 C PHE A 117 2.994 33.756 -8.337 1.00 51.41 C ATOM 1798 O PHE A 117 2.594 32.592 -8.358 1.00 10.30 O ATOM 1799 CB PHE A 117 3.816 35.181 -10.222 1.00 40.15 C ATOM 1800 CG PHE A 117 3.724 34.865 -11.688 1.00 22.21 C ATOM 1801 CD1 PHE A 117 2.591 35.198 -12.412 1.00 61.34 C ATOM 1802 CD2 PHE A 117 4.771 34.234 -12.341 1.00 0.12 C ATOM 1803 CE1 PHE A 117 2.503 34.908 -13.761 1.00 45.41 C ATOM 1804 CE2 PHE A 117 4.689 33.943 -13.689 1.00 63.24 C ATOM 1805 CZ PHE A 117 3.554 34.279 -14.400 1.00 53.21 C ATOM 0 H PHE A 117 2.518 36.722 -8.732 1.00 12.25 H new ATOM 0 HA PHE A 117 1.883 34.250 -10.096 1.00 60.13 H new ATOM 0 HB2 PHE A 117 3.958 36.255 -10.098 1.00 40.15 H new ATOM 0 HB3 PHE A 117 4.698 34.693 -9.808 1.00 40.15 H new ATOM 0 HD1 PHE A 117 1.767 35.690 -11.917 1.00 61.34 H new ATOM 0 HD2 PHE A 117 5.661 33.967 -11.790 1.00 0.12 H new ATOM 0 HE1 PHE A 117 1.614 35.173 -14.314 1.00 45.41 H new ATOM 0 HE2 PHE A 117 5.513 33.453 -14.187 1.00 63.24 H new ATOM 0 HZ PHE A 117 3.488 34.051 -15.453 1.00 53.21 H new ATOM 1815 N VAL A 118 3.794 34.229 -7.387 1.00 3.10 N ATOM 1816 CA VAL A 118 4.258 33.388 -6.290 1.00 11.43 C ATOM 1817 C VAL A 118 3.091 32.687 -5.604 1.00 71.42 C ATOM 1818 O VAL A 118 3.240 31.586 -5.074 1.00 34.53 O ATOM 1819 CB VAL A 118 5.035 34.209 -5.243 1.00 42.25 C ATOM 1820 CG1 VAL A 118 5.438 33.332 -4.068 1.00 63.32 C ATOM 1821 CG2 VAL A 118 6.256 34.860 -5.877 1.00 33.21 C ATOM 0 H VAL A 118 4.134 35.190 -7.355 1.00 3.10 H new ATOM 0 HA VAL A 118 4.924 32.642 -6.723 1.00 11.43 H new ATOM 0 HB VAL A 118 4.383 34.998 -4.869 1.00 42.25 H new ATOM 0 HG11 VAL A 118 5.986 33.929 -3.339 1.00 63.32 H new ATOM 0 HG12 VAL A 118 4.545 32.918 -3.600 1.00 63.32 H new ATOM 0 HG13 VAL A 118 6.073 32.519 -4.421 1.00 63.32 H new ATOM 0 HG21 VAL A 118 6.793 35.436 -5.124 1.00 33.21 H new ATOM 0 HG22 VAL A 118 6.912 34.088 -6.280 1.00 33.21 H new ATOM 0 HG23 VAL A 118 5.938 35.523 -6.682 1.00 33.21 H new ATOM 1831 N PHE A 119 1.929 33.331 -5.619 1.00 72.02 N ATOM 1832 CA PHE A 119 0.735 32.769 -4.998 1.00 71.14 C ATOM 1833 C PHE A 119 0.215 31.578 -5.799 1.00 0.33 C ATOM 1834 O PHE A 119 0.078 30.474 -5.272 1.00 52.10 O ATOM 1835 CB PHE A 119 -0.356 33.836 -4.883 1.00 21.41 C ATOM 1836 CG PHE A 119 -1.119 33.775 -3.591 1.00 0.24 C ATOM 1837 CD1 PHE A 119 -0.495 34.064 -2.388 1.00 24.11 C ATOM 1838 CD2 PHE A 119 -2.461 33.429 -3.579 1.00 4.15 C ATOM 1839 CE1 PHE A 119 -1.194 34.010 -1.197 1.00 21.41 C ATOM 1840 CE2 PHE A 119 -3.165 33.374 -2.391 1.00 31.42 C ATOM 1841 CZ PHE A 119 -2.531 33.663 -1.198 1.00 62.14 C ATOM 0 H PHE A 119 1.788 34.243 -6.054 1.00 72.02 H new ATOM 0 HA PHE A 119 1.003 32.424 -3.999 1.00 71.14 H new ATOM 0 HB2 PHE A 119 0.099 34.822 -4.981 1.00 21.41 H new ATOM 0 HB3 PHE A 119 -1.053 33.723 -5.713 1.00 21.41 H new ATOM 0 HD1 PHE A 119 0.550 34.335 -2.381 1.00 24.11 H new ATOM 0 HD2 PHE A 119 -2.962 33.200 -4.508 1.00 4.15 H new ATOM 0 HE1 PHE A 119 -0.695 34.239 -0.267 1.00 21.41 H new ATOM 0 HE2 PHE A 119 -4.211 33.105 -2.395 1.00 31.42 H new ATOM 0 HZ PHE A 119 -3.079 33.618 -0.269 1.00 62.14 H new ATOM 1851 N VAL A 120 -0.073 31.811 -7.075 1.00 55.52 N ATOM 1852 CA VAL A 120 -0.578 30.759 -7.950 1.00 1.45 C ATOM 1853 C VAL A 120 0.449 29.645 -8.117 1.00 33.20 C ATOM 1854 O VAL A 120 0.097 28.503 -8.418 1.00 44.53 O ATOM 1855 CB VAL A 120 -0.949 31.313 -9.338 1.00 11.30 C ATOM 1856 CG1 VAL A 120 0.272 31.913 -10.018 1.00 24.12 C ATOM 1857 CG2 VAL A 120 -1.567 30.222 -10.199 1.00 24.21 C ATOM 0 H VAL A 120 0.035 32.719 -7.527 1.00 55.52 H new ATOM 0 HA VAL A 120 -1.474 30.356 -7.477 1.00 1.45 H new ATOM 0 HB VAL A 120 -1.688 32.104 -9.208 1.00 11.30 H new ATOM 0 HG11 VAL A 120 -0.010 32.299 -10.997 1.00 24.12 H new ATOM 0 HG12 VAL A 120 0.666 32.725 -9.407 1.00 24.12 H new ATOM 0 HG13 VAL A 120 1.036 31.145 -10.137 1.00 24.12 H new ATOM 0 HG21 VAL A 120 -1.823 30.631 -11.176 1.00 24.21 H new ATOM 0 HG22 VAL A 120 -0.853 29.408 -10.322 1.00 24.21 H new ATOM 0 HG23 VAL A 120 -2.468 29.844 -9.716 1.00 24.21 H new ATOM 1867 N CYS A 121 1.718 29.983 -7.919 1.00 60.25 N ATOM 1868 CA CYS A 121 2.797 29.010 -8.049 1.00 4.20 C ATOM 1869 C CYS A 121 2.793 28.034 -6.877 1.00 61.02 C ATOM 1870 O CYS A 121 3.054 26.843 -7.047 1.00 32.23 O ATOM 1871 CB CYS A 121 4.148 29.724 -8.129 1.00 72.43 C ATOM 1872 SG CYS A 121 5.538 28.744 -7.515 1.00 71.24 S ATOM 0 H CYS A 121 2.025 30.923 -7.668 1.00 60.25 H new ATOM 0 HA CYS A 121 2.637 28.446 -8.968 1.00 4.20 H new ATOM 0 HB2 CYS A 121 4.341 29.999 -9.166 1.00 72.43 H new ATOM 0 HB3 CYS A 121 4.091 30.651 -7.559 1.00 72.43 H new ATOM 0 HG CYS A 121 6.636 29.431 -7.626 1.00 71.24 H new ATOM 1878 N VAL A 122 2.497 28.547 -5.687 1.00 53.12 N ATOM 1879 CA VAL A 122 2.459 27.721 -4.486 1.00 42.14 C ATOM 1880 C VAL A 122 1.362 26.667 -4.579 1.00 31.24 C ATOM 1881 O VAL A 122 1.571 25.505 -4.229 1.00 63.13 O ATOM 1882 CB VAL A 122 2.231 28.575 -3.225 1.00 20.22 C ATOM 1883 CG1 VAL A 122 2.001 27.685 -2.012 1.00 51.55 C ATOM 1884 CG2 VAL A 122 3.409 29.510 -2.995 1.00 33.24 C ATOM 0 H VAL A 122 2.280 29.531 -5.529 1.00 53.12 H new ATOM 0 HA VAL A 122 3.428 27.227 -4.410 1.00 42.14 H new ATOM 0 HB VAL A 122 1.338 29.182 -3.375 1.00 20.22 H new ATOM 0 HG11 VAL A 122 1.842 28.306 -1.130 1.00 51.55 H new ATOM 0 HG12 VAL A 122 1.123 27.061 -2.180 1.00 51.55 H new ATOM 0 HG13 VAL A 122 2.873 27.050 -1.856 1.00 51.55 H new ATOM 0 HG21 VAL A 122 3.231 30.106 -2.100 1.00 33.24 H new ATOM 0 HG22 VAL A 122 4.319 28.924 -2.866 1.00 33.24 H new ATOM 0 HG23 VAL A 122 3.522 30.171 -3.854 1.00 33.24 H new ATOM 1894 N PHE A 123 0.191 27.080 -5.052 1.00 33.43 N ATOM 1895 CA PHE A 123 -0.941 26.171 -5.190 1.00 33.22 C ATOM 1896 C PHE A 123 -0.662 25.111 -6.252 1.00 4.14 C ATOM 1897 O PHE A 123 -0.917 23.926 -6.044 1.00 23.34 O ATOM 1898 CB PHE A 123 -2.207 26.950 -5.552 1.00 52.21 C ATOM 1899 CG PHE A 123 -3.462 26.130 -5.463 1.00 72.15 C ATOM 1900 CD1 PHE A 123 -3.786 25.224 -6.461 1.00 5.12 C ATOM 1901 CD2 PHE A 123 -4.319 26.265 -4.383 1.00 11.20 C ATOM 1902 CE1 PHE A 123 -4.940 24.467 -6.382 1.00 45.41 C ATOM 1903 CE2 PHE A 123 -5.474 25.511 -4.299 1.00 31.03 C ATOM 1904 CZ PHE A 123 -5.785 24.612 -5.300 1.00 34.10 C ATOM 0 H PHE A 123 0.001 28.038 -5.346 1.00 33.43 H new ATOM 0 HA PHE A 123 -1.091 25.671 -4.233 1.00 33.22 H new ATOM 0 HB2 PHE A 123 -2.297 27.810 -4.888 1.00 52.21 H new ATOM 0 HB3 PHE A 123 -2.108 27.338 -6.566 1.00 52.21 H new ATOM 0 HD1 PHE A 123 -3.129 25.108 -7.310 1.00 5.12 H new ATOM 0 HD2 PHE A 123 -4.082 26.968 -3.598 1.00 11.20 H new ATOM 0 HE1 PHE A 123 -5.180 23.763 -7.165 1.00 45.41 H new ATOM 0 HE2 PHE A 123 -6.133 25.625 -3.451 1.00 31.03 H new ATOM 0 HZ PHE A 123 -6.688 24.023 -5.236 1.00 34.10 H new ATOM 1914 N GLY A 124 -0.135 25.549 -7.392 1.00 35.53 N ATOM 1915 CA GLY A 124 0.170 24.626 -8.470 1.00 14.31 C ATOM 1916 C GLY A 124 1.290 23.669 -8.115 1.00 4.53 C ATOM 1917 O GLY A 124 1.135 22.452 -8.218 1.00 14.23 O ATOM 0 H GLY A 124 0.086 26.525 -7.588 1.00 35.53 H new ATOM 0 HA2 GLY A 124 -0.725 24.056 -8.720 1.00 14.31 H new ATOM 0 HA3 GLY A 124 0.447 25.191 -9.360 1.00 14.31 H new ATOM 1921 N THR A 125 2.426 24.220 -7.696 1.00 70.31 N ATOM 1922 CA THR A 125 3.578 23.407 -7.327 1.00 45.44 C ATOM 1923 C THR A 125 3.203 22.363 -6.283 1.00 22.24 C ATOM 1924 O THR A 125 3.462 21.172 -6.461 1.00 52.21 O ATOM 1925 CB THR A 125 4.726 24.276 -6.779 1.00 11.40 C ATOM 1926 OG1 THR A 125 5.212 25.150 -7.804 1.00 14.50 O ATOM 1927 CG2 THR A 125 5.864 23.408 -6.265 1.00 2.14 C ATOM 0 H THR A 125 2.572 25.225 -7.604 1.00 70.31 H new ATOM 0 HA THR A 125 3.914 22.904 -8.234 1.00 45.44 H new ATOM 0 HB THR A 125 4.339 24.869 -5.950 1.00 11.40 H new ATOM 0 HG1 THR A 125 4.655 25.956 -7.838 1.00 14.50 H new ATOM 0 HG21 THR A 125 6.663 24.044 -5.883 1.00 2.14 H new ATOM 0 HG22 THR A 125 5.498 22.765 -5.465 1.00 2.14 H new ATOM 0 HG23 THR A 125 6.248 22.792 -7.078 1.00 2.14 H new ATOM 1935 N ILE A 126 2.592 22.816 -5.193 1.00 61.41 N ATOM 1936 CA ILE A 126 2.180 21.919 -4.121 1.00 32.44 C ATOM 1937 C ILE A 126 1.249 20.830 -4.642 1.00 73.53 C ATOM 1938 O ILE A 126 1.304 19.685 -4.196 1.00 31.52 O ATOM 1939 CB ILE A 126 1.472 22.684 -2.987 1.00 54.34 C ATOM 1940 CG1 ILE A 126 2.500 23.355 -2.075 1.00 25.33 C ATOM 1941 CG2 ILE A 126 0.580 21.744 -2.189 1.00 44.34 C ATOM 1942 CD1 ILE A 126 1.897 24.360 -1.119 1.00 75.21 C ATOM 0 H ILE A 126 2.372 23.798 -5.029 1.00 61.41 H new ATOM 0 HA ILE A 126 3.087 21.461 -3.728 1.00 32.44 H new ATOM 0 HB ILE A 126 0.846 23.459 -3.428 1.00 54.34 H new ATOM 0 HG12 ILE A 126 3.020 22.588 -1.502 1.00 25.33 H new ATOM 0 HG13 ILE A 126 3.248 23.855 -2.691 1.00 25.33 H new ATOM 0 HG21 ILE A 126 0.087 22.300 -1.392 1.00 44.34 H new ATOM 0 HG22 ILE A 126 -0.172 21.310 -2.847 1.00 44.34 H new ATOM 0 HG23 ILE A 126 1.186 20.948 -1.756 1.00 44.34 H new ATOM 0 HD11 ILE A 126 2.685 24.795 -0.504 1.00 75.21 H new ATOM 0 HD12 ILE A 126 1.401 25.148 -1.685 1.00 75.21 H new ATOM 0 HD13 ILE A 126 1.170 23.861 -0.478 1.00 75.21 H new ATOM 1954 N GLY A 127 0.394 21.195 -5.593 1.00 34.40 N ATOM 1955 CA GLY A 127 -0.537 20.237 -6.162 1.00 24.13 C ATOM 1956 C GLY A 127 0.164 19.035 -6.764 1.00 2.22 C ATOM 1957 O GLY A 127 -0.328 17.911 -6.672 1.00 53.25 O ATOM 0 H GLY A 127 0.329 22.137 -5.980 1.00 34.40 H new ATOM 0 HA2 GLY A 127 -1.227 19.901 -5.388 1.00 24.13 H new ATOM 0 HA3 GLY A 127 -1.134 20.728 -6.930 1.00 24.13 H new ATOM 1961 N MET A 128 1.316 19.273 -7.383 1.00 22.45 N ATOM 1962 CA MET A 128 2.085 18.200 -8.003 1.00 24.04 C ATOM 1963 C MET A 128 2.631 17.242 -6.948 1.00 51.40 C ATOM 1964 O MET A 128 2.528 16.024 -7.089 1.00 74.41 O ATOM 1965 CB MET A 128 3.237 18.780 -8.826 1.00 72.45 C ATOM 1966 CG MET A 128 2.796 19.831 -9.832 1.00 12.13 C ATOM 1967 SD MET A 128 1.967 19.117 -11.265 1.00 45.14 S ATOM 1968 CE MET A 128 0.258 19.178 -10.734 1.00 22.43 C ATOM 0 H MET A 128 1.737 20.198 -7.469 1.00 22.45 H new ATOM 0 HA MET A 128 1.419 17.644 -8.663 1.00 24.04 H new ATOM 0 HB2 MET A 128 3.970 19.221 -8.150 1.00 72.45 H new ATOM 0 HB3 MET A 128 3.738 17.970 -9.355 1.00 72.45 H new ATOM 0 HG2 MET A 128 2.125 20.537 -9.343 1.00 12.13 H new ATOM 0 HG3 MET A 128 3.666 20.397 -10.165 1.00 12.13 H new ATOM 0 HE1 MET A 128 -0.073 18.177 -10.459 1.00 22.43 H new ATOM 0 HE2 MET A 128 0.168 19.840 -9.873 1.00 22.43 H new ATOM 0 HE3 MET A 128 -0.362 19.555 -11.547 1.00 22.43 H new ATOM 1978 N PHE A 129 3.212 17.801 -5.892 1.00 10.33 N ATOM 1979 CA PHE A 129 3.775 16.996 -4.814 1.00 1.42 C ATOM 1980 C PHE A 129 2.670 16.385 -3.958 1.00 21.35 C ATOM 1981 O PHE A 129 2.916 15.476 -3.163 1.00 13.11 O ATOM 1982 CB PHE A 129 4.699 17.849 -3.942 1.00 21.35 C ATOM 1983 CG PHE A 129 5.859 17.084 -3.371 1.00 35.54 C ATOM 1984 CD1 PHE A 129 6.993 16.850 -4.131 1.00 3.13 C ATOM 1985 CD2 PHE A 129 5.814 16.598 -2.074 1.00 0.04 C ATOM 1986 CE1 PHE A 129 8.061 16.146 -3.608 1.00 22.41 C ATOM 1987 CE2 PHE A 129 6.879 15.893 -1.545 1.00 41.12 C ATOM 1988 CZ PHE A 129 8.005 15.668 -2.313 1.00 74.42 C ATOM 0 H PHE A 129 3.305 18.808 -5.759 1.00 10.33 H new ATOM 0 HA PHE A 129 4.353 16.187 -5.261 1.00 1.42 H new ATOM 0 HB2 PHE A 129 5.079 18.681 -4.535 1.00 21.35 H new ATOM 0 HB3 PHE A 129 4.120 18.279 -3.125 1.00 21.35 H new ATOM 0 HD1 PHE A 129 7.043 17.222 -5.144 1.00 3.13 H new ATOM 0 HD2 PHE A 129 4.936 16.772 -1.469 1.00 0.04 H new ATOM 0 HE1 PHE A 129 8.939 15.970 -4.211 1.00 22.41 H new ATOM 0 HE2 PHE A 129 6.831 15.519 -0.533 1.00 41.12 H new ATOM 0 HZ PHE A 129 8.840 15.120 -1.902 1.00 74.42 H new ATOM 1998 N LEU A 130 1.453 16.889 -4.125 1.00 12.45 N ATOM 1999 CA LEU A 130 0.309 16.394 -3.367 1.00 74.02 C ATOM 2000 C LEU A 130 -0.226 15.100 -3.972 1.00 62.32 C ATOM 2001 O LEU A 130 -0.974 14.365 -3.328 1.00 1.44 O ATOM 2002 CB LEU A 130 -0.799 17.448 -3.330 1.00 41.54 C ATOM 2003 CG LEU A 130 -1.979 17.151 -2.404 1.00 63.23 C ATOM 2004 CD1 LEU A 130 -2.326 18.375 -1.572 1.00 1.22 C ATOM 2005 CD2 LEU A 130 -3.186 16.691 -3.209 1.00 24.10 C ATOM 0 H LEU A 130 1.232 17.640 -4.779 1.00 12.45 H new ATOM 0 HA LEU A 130 0.641 16.189 -2.349 1.00 74.02 H new ATOM 0 HB2 LEU A 130 -0.358 18.399 -3.030 1.00 41.54 H new ATOM 0 HB3 LEU A 130 -1.182 17.579 -4.342 1.00 41.54 H new ATOM 0 HG LEU A 130 -1.691 16.347 -1.727 1.00 63.23 H new ATOM 0 HD11 LEU A 130 -3.168 18.144 -0.919 1.00 1.22 H new ATOM 0 HD12 LEU A 130 -1.465 18.660 -0.967 1.00 1.22 H new ATOM 0 HD13 LEU A 130 -2.594 19.200 -2.232 1.00 1.22 H new ATOM 0 HD21 LEU A 130 -4.016 16.484 -2.534 1.00 24.10 H new ATOM 0 HD22 LEU A 130 -3.475 17.474 -3.911 1.00 24.10 H new ATOM 0 HD23 LEU A 130 -2.932 15.785 -3.760 1.00 24.10 H new