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 11 THR OG1 : rot 133:sc= 0.464 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -130:sc= -1.43 USER MOD Single : A 13 ASN : amide:sc=-0.00177 X(o=-0.0018,f=-0.0018) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00178 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.0127 (180deg=-0.158) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.573 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 69 SER OG : rot -20:sc= 0.815 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 76:sc= 0.237 USER MOD Single : A 78 MET CE :methyl -123:sc= -0.997 (180deg=-1.3) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 71:sc= 0.284 USER MOD Single : A 87 THR OG1 : rot 83:sc= 0.00475 USER MOD Single : A 88 SER OG : rot 87:sc= 0.14 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 84:sc= -0.469 USER MOD Single : A 125 THR OG1 : rot -79:sc= 0.204 USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 6.464 6.294 -8.984 1.00 41.20 N ATOM 56 CA GLU A 6 6.876 6.480 -10.370 1.00 61.44 C ATOM 57 C GLU A 6 6.102 7.624 -11.020 1.00 25.44 C ATOM 58 O GLU A 6 6.677 8.601 -11.500 1.00 73.11 O ATOM 59 CB GLU A 6 6.664 5.190 -11.166 1.00 32.22 C ATOM 60 CG GLU A 6 6.307 5.426 -12.624 1.00 25.51 C ATOM 61 CD GLU A 6 6.439 4.172 -13.467 1.00 30.24 C ATOM 62 OE1 GLU A 6 7.130 3.230 -13.024 1.00 44.34 O ATOM 63 OE2 GLU A 6 5.851 4.132 -14.568 1.00 24.14 O ATOM 0 HA GLU A 6 7.936 6.732 -10.376 1.00 61.44 H new ATOM 0 HB2 GLU A 6 7.572 4.589 -11.116 1.00 32.22 H new ATOM 0 HB3 GLU A 6 5.870 4.609 -10.696 1.00 32.22 H new ATOM 0 HG2 GLU A 6 5.284 5.797 -12.688 1.00 25.51 H new ATOM 0 HG3 GLU A 6 6.954 6.203 -13.031 1.00 25.51 H new ATOM 70 N PRO A 7 4.767 7.500 -11.035 1.00 50.13 N ATOM 71 CA PRO A 7 3.885 8.513 -11.622 1.00 42.52 C ATOM 72 C PRO A 7 3.855 9.800 -10.804 1.00 34.44 C ATOM 73 O PRO A 7 3.602 10.881 -11.337 1.00 5.14 O ATOM 74 CB PRO A 7 2.511 7.839 -11.609 1.00 63.42 C ATOM 75 CG PRO A 7 2.590 6.841 -10.506 1.00 13.05 C ATOM 76 CD PRO A 7 4.015 6.362 -10.481 1.00 31.02 C ATOM 0 HA PRO A 7 4.217 8.815 -12.615 1.00 42.52 H new ATOM 0 HB2 PRO A 7 1.716 8.563 -11.431 1.00 63.42 H new ATOM 0 HB3 PRO A 7 2.297 7.358 -12.563 1.00 63.42 H new ATOM 0 HG2 PRO A 7 2.313 7.291 -9.553 1.00 13.05 H new ATOM 0 HG3 PRO A 7 1.903 6.013 -10.679 1.00 13.05 H new ATOM 0 HD2 PRO A 7 4.340 6.120 -9.469 1.00 31.02 H new ATOM 0 HD3 PRO A 7 4.147 5.462 -11.082 1.00 31.02 H new ATOM 84 N LEU A 8 4.113 9.676 -9.507 1.00 22.05 N ATOM 85 CA LEU A 8 4.116 10.830 -8.614 1.00 31.45 C ATOM 86 C LEU A 8 5.427 11.601 -8.724 1.00 64.40 C ATOM 87 O LEU A 8 5.495 12.783 -8.388 1.00 54.35 O ATOM 88 CB LEU A 8 3.895 10.381 -7.168 1.00 21.21 C ATOM 89 CG LEU A 8 2.724 11.035 -6.434 1.00 22.15 C ATOM 90 CD1 LEU A 8 2.999 12.512 -6.199 1.00 4.02 C ATOM 91 CD2 LEU A 8 1.433 10.849 -7.217 1.00 33.14 C ATOM 0 H LEU A 8 4.323 8.789 -9.050 1.00 22.05 H new ATOM 0 HA LEU A 8 3.302 11.491 -8.912 1.00 31.45 H new ATOM 0 HB2 LEU A 8 3.744 9.302 -7.163 1.00 21.21 H new ATOM 0 HB3 LEU A 8 4.807 10.578 -6.604 1.00 21.21 H new ATOM 0 HG LEU A 8 2.611 10.549 -5.465 1.00 22.15 H new ATOM 0 HD11 LEU A 8 2.155 12.961 -5.676 1.00 4.02 H new ATOM 0 HD12 LEU A 8 3.900 12.623 -5.596 1.00 4.02 H new ATOM 0 HD13 LEU A 8 3.140 13.013 -7.157 1.00 4.02 H new ATOM 0 HD21 LEU A 8 0.610 11.321 -6.680 1.00 33.14 H new ATOM 0 HD22 LEU A 8 1.535 11.308 -8.200 1.00 33.14 H new ATOM 0 HD23 LEU A 8 1.228 9.785 -7.333 1.00 33.14 H new ATOM 103 N PHE A 9 6.468 10.923 -9.199 1.00 13.44 N ATOM 104 CA PHE A 9 7.778 11.545 -9.355 1.00 34.11 C ATOM 105 C PHE A 9 7.813 12.434 -10.594 1.00 41.33 C ATOM 106 O PHE A 9 8.536 13.430 -10.636 1.00 53.45 O ATOM 107 CB PHE A 9 8.866 10.474 -9.451 1.00 32.43 C ATOM 108 CG PHE A 9 9.995 10.846 -10.369 1.00 13.34 C ATOM 109 CD1 PHE A 9 10.943 11.778 -9.979 1.00 1.30 C ATOM 110 CD2 PHE A 9 10.108 10.264 -11.621 1.00 11.31 C ATOM 111 CE1 PHE A 9 11.982 12.123 -10.822 1.00 43.51 C ATOM 112 CE2 PHE A 9 11.145 10.605 -12.468 1.00 43.23 C ATOM 113 CZ PHE A 9 12.084 11.535 -12.068 1.00 3.43 C ATOM 0 H PHE A 9 6.429 9.944 -9.482 1.00 13.44 H new ATOM 0 HA PHE A 9 7.965 12.165 -8.479 1.00 34.11 H new ATOM 0 HB2 PHE A 9 9.266 10.284 -8.455 1.00 32.43 H new ATOM 0 HB3 PHE A 9 8.418 9.543 -9.798 1.00 32.43 H new ATOM 0 HD1 PHE A 9 10.869 12.240 -9.006 1.00 1.30 H new ATOM 0 HD2 PHE A 9 9.377 9.535 -11.939 1.00 11.31 H new ATOM 0 HE1 PHE A 9 12.714 12.852 -10.507 1.00 43.51 H new ATOM 0 HE2 PHE A 9 11.221 10.145 -13.442 1.00 43.23 H new ATOM 0 HZ PHE A 9 12.896 11.802 -12.728 1.00 3.43 H new ATOM 123 N TYR A 10 7.029 12.067 -11.601 1.00 73.23 N ATOM 124 CA TYR A 10 6.972 12.829 -12.843 1.00 70.52 C ATOM 125 C TYR A 10 6.395 14.220 -12.603 1.00 0.31 C ATOM 126 O TYR A 10 7.043 15.231 -12.879 1.00 35.20 O ATOM 127 CB TYR A 10 6.129 12.087 -13.883 1.00 1.45 C ATOM 128 CG TYR A 10 5.442 13.004 -14.870 1.00 65.51 C ATOM 129 CD1 TYR A 10 6.167 13.662 -15.856 1.00 50.21 C ATOM 130 CD2 TYR A 10 4.070 13.211 -14.817 1.00 12.31 C ATOM 131 CE1 TYR A 10 5.544 14.501 -16.760 1.00 61.22 C ATOM 132 CE2 TYR A 10 3.438 14.047 -15.718 1.00 24.22 C ATOM 133 CZ TYR A 10 4.180 14.689 -16.687 1.00 53.43 C ATOM 134 OH TYR A 10 3.555 15.524 -17.586 1.00 33.44 O ATOM 0 H TYR A 10 6.424 11.246 -11.582 1.00 73.23 H new ATOM 0 HA TYR A 10 7.989 12.938 -13.220 1.00 70.52 H new ATOM 0 HB2 TYR A 10 6.768 11.393 -14.429 1.00 1.45 H new ATOM 0 HB3 TYR A 10 5.376 11.490 -13.369 1.00 1.45 H new ATOM 0 HD1 TYR A 10 7.235 13.515 -15.917 1.00 50.21 H new ATOM 0 HD2 TYR A 10 3.487 12.710 -14.059 1.00 12.31 H new ATOM 0 HE1 TYR A 10 6.122 15.007 -17.519 1.00 61.22 H new ATOM 0 HE2 TYR A 10 2.370 14.197 -15.664 1.00 24.22 H new ATOM 0 HH TYR A 10 2.982 16.155 -17.103 1.00 33.44 H new ATOM 144 N THR A 11 5.171 14.265 -12.085 1.00 43.22 N ATOM 145 CA THR A 11 4.505 15.531 -11.807 1.00 40.33 C ATOM 146 C THR A 11 5.383 16.439 -10.953 1.00 33.42 C ATOM 147 O THR A 11 5.433 17.650 -11.168 1.00 4.04 O ATOM 148 CB THR A 11 3.160 15.312 -11.089 1.00 40.51 C ATOM 149 OG1 THR A 11 2.577 16.575 -10.746 1.00 20.52 O ATOM 150 CG2 THR A 11 3.347 14.476 -9.832 1.00 44.14 C ATOM 0 H THR A 11 4.621 13.439 -11.850 1.00 43.22 H new ATOM 0 HA THR A 11 4.321 16.009 -12.769 1.00 40.33 H new ATOM 0 HB THR A 11 2.495 14.777 -11.766 1.00 40.51 H new ATOM 0 HG1 THR A 11 1.630 16.578 -11.000 1.00 20.52 H new ATOM 0 HG21 THR A 11 2.384 14.335 -9.342 1.00 44.14 H new ATOM 0 HG22 THR A 11 3.764 13.505 -10.099 1.00 44.14 H new ATOM 0 HG23 THR A 11 4.028 14.988 -9.152 1.00 44.14 H new ATOM 158 N ILE A 12 6.073 15.845 -9.985 1.00 13.45 N ATOM 159 CA ILE A 12 6.950 16.601 -9.099 1.00 50.12 C ATOM 160 C ILE A 12 8.080 17.264 -9.880 1.00 13.33 C ATOM 161 O ILE A 12 8.410 18.426 -9.646 1.00 63.01 O ATOM 162 CB ILE A 12 7.556 15.702 -8.005 1.00 52.03 C ATOM 163 CG1 ILE A 12 6.487 15.319 -6.980 1.00 31.42 C ATOM 164 CG2 ILE A 12 8.721 16.406 -7.326 1.00 12.20 C ATOM 165 CD1 ILE A 12 6.172 16.422 -5.994 1.00 72.02 C ATOM 0 H ILE A 12 6.042 14.843 -9.794 1.00 13.45 H new ATOM 0 HA ILE A 12 6.337 17.369 -8.628 1.00 50.12 H new ATOM 0 HB ILE A 12 7.930 14.790 -8.470 1.00 52.03 H new ATOM 0 HG12 ILE A 12 5.574 15.041 -7.506 1.00 31.42 H new ATOM 0 HG13 ILE A 12 6.820 14.437 -6.432 1.00 31.42 H new ATOM 0 HG21 ILE A 12 9.139 15.758 -6.555 1.00 12.20 H new ATOM 0 HG22 ILE A 12 9.490 16.633 -8.065 1.00 12.20 H new ATOM 0 HG23 ILE A 12 8.371 17.332 -6.870 1.00 12.20 H new ATOM 0 HD11 ILE A 12 5.406 16.080 -5.298 1.00 72.02 H new ATOM 0 HD12 ILE A 12 7.074 16.684 -5.441 1.00 72.02 H new ATOM 0 HD13 ILE A 12 5.808 17.298 -6.532 1.00 72.02 H new ATOM 177 N ASN A 13 8.667 16.518 -10.809 1.00 61.23 N ATOM 178 CA ASN A 13 9.760 17.034 -11.626 1.00 75.11 C ATOM 179 C ASN A 13 9.263 18.121 -12.575 1.00 20.14 C ATOM 180 O ASN A 13 10.057 18.851 -13.170 1.00 12.03 O ATOM 181 CB ASN A 13 10.406 15.900 -12.425 1.00 40.51 C ATOM 182 CG ASN A 13 11.735 16.306 -13.032 1.00 42.12 C ATOM 183 OD1 ASN A 13 12.721 16.500 -12.321 1.00 45.14 O ATOM 184 ND2 ASN A 13 11.767 16.437 -14.353 1.00 72.53 N ATOM 0 H ASN A 13 8.405 15.554 -11.015 1.00 61.23 H new ATOM 0 HA ASN A 13 10.504 17.470 -10.960 1.00 75.11 H new ATOM 0 HB2 ASN A 13 10.555 15.039 -11.773 1.00 40.51 H new ATOM 0 HB3 ASN A 13 9.728 15.586 -13.218 1.00 40.51 H new ATOM 0 HD21 ASN A 13 12.633 16.709 -14.818 1.00 72.53 H new ATOM 0 HD22 ASN A 13 10.925 16.266 -14.903 1.00 72.53 H new ATOM 191 N LEU A 14 7.946 18.223 -12.710 1.00 55.14 N ATOM 192 CA LEU A 14 7.342 19.222 -13.586 1.00 72.51 C ATOM 193 C LEU A 14 7.101 20.528 -12.837 1.00 51.31 C ATOM 194 O LEU A 14 7.046 21.600 -13.441 1.00 4.10 O ATOM 195 CB LEU A 14 6.023 18.697 -14.157 1.00 42.12 C ATOM 196 CG LEU A 14 5.746 19.033 -15.623 1.00 60.50 C ATOM 197 CD1 LEU A 14 4.584 18.205 -16.149 1.00 72.15 C ATOM 198 CD2 LEU A 14 5.462 20.519 -15.786 1.00 33.44 C ATOM 0 H LEU A 14 7.276 17.627 -12.225 1.00 55.14 H new ATOM 0 HA LEU A 14 8.034 19.417 -14.406 1.00 72.51 H new ATOM 0 HB2 LEU A 14 6.007 17.613 -14.044 1.00 42.12 H new ATOM 0 HB3 LEU A 14 5.206 19.092 -13.554 1.00 42.12 H new ATOM 0 HG LEU A 14 6.634 18.788 -16.206 1.00 60.50 H new ATOM 0 HD11 LEU A 14 4.401 18.457 -17.194 1.00 72.15 H new ATOM 0 HD12 LEU A 14 4.827 17.145 -16.069 1.00 72.15 H new ATOM 0 HD13 LEU A 14 3.690 18.418 -15.562 1.00 72.15 H new ATOM 0 HD21 LEU A 14 5.267 20.739 -16.836 1.00 33.44 H new ATOM 0 HD22 LEU A 14 4.590 20.790 -15.190 1.00 33.44 H new ATOM 0 HD23 LEU A 14 6.325 21.093 -15.449 1.00 33.44 H new ATOM 210 N ILE A 15 6.959 20.432 -11.520 1.00 25.45 N ATOM 211 CA ILE A 15 6.728 21.606 -10.688 1.00 50.43 C ATOM 212 C ILE A 15 8.026 22.365 -10.435 1.00 42.45 C ATOM 213 O ILE A 15 8.024 23.588 -10.289 1.00 34.00 O ATOM 214 CB ILE A 15 6.098 21.224 -9.336 1.00 23.11 C ATOM 215 CG1 ILE A 15 4.748 20.538 -9.553 1.00 70.00 C ATOM 216 CG2 ILE A 15 5.937 22.457 -8.459 1.00 64.30 C ATOM 217 CD1 ILE A 15 3.756 21.385 -10.319 1.00 43.13 C ATOM 0 H ILE A 15 7.000 19.552 -11.005 1.00 25.45 H new ATOM 0 HA ILE A 15 6.035 22.247 -11.234 1.00 50.43 H new ATOM 0 HB ILE A 15 6.762 20.525 -8.828 1.00 23.11 H new ATOM 0 HG12 ILE A 15 4.907 19.603 -10.091 1.00 70.00 H new ATOM 0 HG13 ILE A 15 4.321 20.280 -8.584 1.00 70.00 H new ATOM 0 HG21 ILE A 15 5.490 22.170 -7.507 1.00 64.30 H new ATOM 0 HG22 ILE A 15 6.914 22.907 -8.281 1.00 64.30 H new ATOM 0 HG23 ILE A 15 5.291 23.178 -8.960 1.00 64.30 H new ATOM 0 HD11 ILE A 15 2.822 20.835 -10.436 1.00 43.13 H new ATOM 0 HD12 ILE A 15 3.568 22.309 -9.772 1.00 43.13 H new ATOM 0 HD13 ILE A 15 4.163 21.622 -11.302 1.00 43.13 H new ATOM 229 N ILE A 16 9.134 21.633 -10.387 1.00 74.33 N ATOM 230 CA ILE A 16 10.439 22.237 -10.155 1.00 45.35 C ATOM 231 C ILE A 16 10.696 23.382 -11.130 1.00 22.21 C ATOM 232 O ILE A 16 10.944 24.522 -10.736 1.00 34.20 O ATOM 233 CB ILE A 16 11.571 21.201 -10.288 1.00 42.25 C ATOM 234 CG1 ILE A 16 11.837 20.528 -8.940 1.00 43.42 C ATOM 235 CG2 ILE A 16 12.836 21.863 -10.815 1.00 72.12 C ATOM 236 CD1 ILE A 16 12.094 19.042 -9.047 1.00 72.51 C ATOM 0 H ILE A 16 9.153 20.620 -10.506 1.00 74.33 H new ATOM 0 HA ILE A 16 10.430 22.625 -9.136 1.00 45.35 H new ATOM 0 HB ILE A 16 11.261 20.436 -11.000 1.00 42.25 H new ATOM 0 HG12 ILE A 16 12.697 21.004 -8.469 1.00 43.42 H new ATOM 0 HG13 ILE A 16 10.982 20.694 -8.285 1.00 43.42 H new ATOM 0 HG21 ILE A 16 13.627 21.118 -10.903 1.00 72.12 H new ATOM 0 HG22 ILE A 16 12.638 22.299 -11.794 1.00 72.12 H new ATOM 0 HG23 ILE A 16 13.151 22.646 -10.126 1.00 72.12 H new ATOM 0 HD11 ILE A 16 12.275 18.632 -8.054 1.00 72.51 H new ATOM 0 HD12 ILE A 16 11.226 18.553 -9.489 1.00 72.51 H new ATOM 0 HD13 ILE A 16 12.967 18.868 -9.676 1.00 72.51 H new ATOM 248 N PRO A 17 10.635 23.074 -12.434 1.00 32.21 N ATOM 249 CA PRO A 17 10.855 24.064 -13.492 1.00 64.44 C ATOM 250 C PRO A 17 9.724 25.082 -13.579 1.00 75.42 C ATOM 251 O PRO A 17 9.953 26.256 -13.871 1.00 62.12 O ATOM 252 CB PRO A 17 10.910 23.215 -14.765 1.00 45.33 C ATOM 253 CG PRO A 17 10.124 21.993 -14.440 1.00 74.23 C ATOM 254 CD PRO A 17 10.345 21.735 -12.975 1.00 54.53 C ATOM 0 HA PRO A 17 11.754 24.654 -13.317 1.00 64.44 H new ATOM 0 HB2 PRO A 17 10.481 23.747 -15.614 1.00 45.33 H new ATOM 0 HB3 PRO A 17 11.937 22.966 -15.030 1.00 45.33 H new ATOM 0 HG2 PRO A 17 9.066 22.141 -14.655 1.00 74.23 H new ATOM 0 HG3 PRO A 17 10.455 21.145 -15.040 1.00 74.23 H new ATOM 0 HD2 PRO A 17 9.465 21.294 -12.507 1.00 54.53 H new ATOM 0 HD3 PRO A 17 11.173 21.046 -12.808 1.00 54.53 H new ATOM 262 N CYS A 18 8.503 24.625 -13.324 1.00 34.13 N ATOM 263 CA CYS A 18 7.334 25.497 -13.373 1.00 62.34 C ATOM 264 C CYS A 18 7.512 26.697 -12.449 1.00 74.11 C ATOM 265 O CYS A 18 7.440 27.846 -12.885 1.00 74.13 O ATOM 266 CB CYS A 18 6.076 24.720 -12.985 1.00 35.13 C ATOM 267 SG CYS A 18 4.583 25.735 -12.885 1.00 53.24 S ATOM 0 H CYS A 18 8.296 23.656 -13.081 1.00 34.13 H new ATOM 0 HA CYS A 18 7.225 25.862 -14.394 1.00 62.34 H new ATOM 0 HB2 CYS A 18 5.914 23.925 -13.713 1.00 35.13 H new ATOM 0 HB3 CYS A 18 6.241 24.240 -12.020 1.00 35.13 H new ATOM 0 HG CYS A 18 3.572 24.988 -12.553 1.00 53.24 H new ATOM 273 N VAL A 19 7.742 26.422 -11.169 1.00 44.51 N ATOM 274 CA VAL A 19 7.929 27.479 -10.182 1.00 43.43 C ATOM 275 C VAL A 19 9.197 28.278 -10.466 1.00 14.02 C ATOM 276 O VAL A 19 9.265 29.475 -10.184 1.00 42.34 O ATOM 277 CB VAL A 19 8.005 26.907 -8.754 1.00 61.03 C ATOM 278 CG1 VAL A 19 7.964 28.028 -7.727 1.00 31.32 C ATOM 279 CG2 VAL A 19 6.877 25.914 -8.518 1.00 51.32 C ATOM 0 H VAL A 19 7.803 25.476 -10.791 1.00 44.51 H new ATOM 0 HA VAL A 19 7.064 28.138 -10.256 1.00 43.43 H new ATOM 0 HB VAL A 19 8.952 26.379 -8.642 1.00 61.03 H new ATOM 0 HG11 VAL A 19 8.019 27.605 -6.724 1.00 31.32 H new ATOM 0 HG12 VAL A 19 8.810 28.697 -7.885 1.00 31.32 H new ATOM 0 HG13 VAL A 19 7.034 28.586 -7.835 1.00 31.32 H new ATOM 0 HG21 VAL A 19 6.946 25.520 -7.504 1.00 51.32 H new ATOM 0 HG22 VAL A 19 5.918 26.415 -8.648 1.00 51.32 H new ATOM 0 HG23 VAL A 19 6.958 25.095 -9.232 1.00 51.32 H new ATOM 289 N LEU A 20 10.198 27.608 -11.025 1.00 4.40 N ATOM 290 CA LEU A 20 11.465 28.256 -11.348 1.00 23.41 C ATOM 291 C LEU A 20 11.287 29.269 -12.474 1.00 65.01 C ATOM 292 O LEU A 20 11.935 30.316 -12.488 1.00 4.01 O ATOM 293 CB LEU A 20 12.508 27.210 -11.747 1.00 74.24 C ATOM 294 CG LEU A 20 13.635 26.967 -10.743 1.00 15.43 C ATOM 295 CD1 LEU A 20 14.550 28.179 -10.665 1.00 11.33 C ATOM 296 CD2 LEU A 20 13.064 26.638 -9.371 1.00 2.42 C ATOM 0 H LEU A 20 10.158 26.617 -11.264 1.00 4.40 H new ATOM 0 HA LEU A 20 11.811 28.785 -10.460 1.00 23.41 H new ATOM 0 HB2 LEU A 20 11.995 26.264 -11.923 1.00 74.24 H new ATOM 0 HB3 LEU A 20 12.952 27.513 -12.695 1.00 74.24 H new ATOM 0 HG LEU A 20 14.223 26.115 -11.084 1.00 15.43 H new ATOM 0 HD11 LEU A 20 15.346 27.988 -9.946 1.00 11.33 H new ATOM 0 HD12 LEU A 20 14.985 28.370 -11.646 1.00 11.33 H new ATOM 0 HD13 LEU A 20 13.975 29.049 -10.348 1.00 11.33 H new ATOM 0 HD21 LEU A 20 13.880 26.468 -8.669 1.00 2.42 H new ATOM 0 HD22 LEU A 20 12.453 27.470 -9.022 1.00 2.42 H new ATOM 0 HD23 LEU A 20 12.450 25.740 -9.438 1.00 2.42 H new ATOM 308 N ILE A 21 10.405 28.951 -13.415 1.00 14.42 N ATOM 309 CA ILE A 21 10.139 29.836 -14.543 1.00 24.32 C ATOM 310 C ILE A 21 9.517 31.148 -14.078 1.00 5.20 C ATOM 311 O ILE A 21 9.879 32.224 -14.556 1.00 61.13 O ATOM 312 CB ILE A 21 9.203 29.172 -15.570 1.00 42.52 C ATOM 313 CG1 ILE A 21 9.922 28.023 -16.280 1.00 52.32 C ATOM 314 CG2 ILE A 21 8.711 30.200 -16.578 1.00 74.24 C ATOM 315 CD1 ILE A 21 9.014 26.863 -16.622 1.00 61.34 C ATOM 0 H ILE A 21 9.862 28.087 -13.419 1.00 14.42 H new ATOM 0 HA ILE A 21 11.099 30.040 -15.017 1.00 24.32 H new ATOM 0 HB ILE A 21 8.340 28.765 -15.044 1.00 42.52 H new ATOM 0 HG12 ILE A 21 10.377 28.400 -17.196 1.00 52.32 H new ATOM 0 HG13 ILE A 21 10.733 27.665 -15.645 1.00 52.32 H new ATOM 0 HG21 ILE A 21 8.050 29.717 -17.298 1.00 74.24 H new ATOM 0 HG22 ILE A 21 8.166 30.988 -16.058 1.00 74.24 H new ATOM 0 HG23 ILE A 21 9.563 30.633 -17.102 1.00 74.24 H new ATOM 0 HD11 ILE A 21 9.590 26.085 -17.123 1.00 61.34 H new ATOM 0 HD12 ILE A 21 8.579 26.460 -15.708 1.00 61.34 H new ATOM 0 HD13 ILE A 21 8.218 27.207 -17.282 1.00 61.34 H new ATOM 327 N THR A 22 8.580 31.053 -13.140 1.00 50.11 N ATOM 328 CA THR A 22 7.908 32.232 -12.609 1.00 53.22 C ATOM 329 C THR A 22 8.906 33.200 -11.984 1.00 63.23 C ATOM 330 O THR A 22 8.866 34.402 -12.244 1.00 51.33 O ATOM 331 CB THR A 22 6.852 31.850 -11.555 1.00 31.12 C ATOM 332 OG1 THR A 22 5.938 30.892 -12.101 1.00 44.01 O ATOM 333 CG2 THR A 22 6.086 33.078 -11.085 1.00 64.15 C ATOM 0 H THR A 22 8.269 30.171 -12.732 1.00 50.11 H new ATOM 0 HA THR A 22 7.413 32.718 -13.450 1.00 53.22 H new ATOM 0 HB THR A 22 7.367 31.413 -10.699 1.00 31.12 H new ATOM 0 HG1 THR A 22 5.271 30.653 -11.424 1.00 44.01 H new ATOM 0 HG21 THR A 22 5.346 32.783 -10.341 1.00 64.15 H new ATOM 0 HG22 THR A 22 6.780 33.793 -10.643 1.00 64.15 H new ATOM 0 HG23 THR A 22 5.582 33.540 -11.934 1.00 64.15 H new ATOM 341 N SER A 23 9.802 32.667 -11.160 1.00 4.35 N ATOM 342 CA SER A 23 10.810 33.485 -10.495 1.00 3.12 C ATOM 343 C SER A 23 11.575 34.334 -11.506 1.00 72.32 C ATOM 344 O SER A 23 11.795 35.527 -11.293 1.00 71.22 O ATOM 345 CB SER A 23 11.784 32.599 -9.716 1.00 21.21 C ATOM 346 OG SER A 23 13.127 32.977 -9.963 1.00 62.02 O ATOM 0 H SER A 23 9.851 31.673 -10.937 1.00 4.35 H new ATOM 0 HA SER A 23 10.300 34.151 -9.799 1.00 3.12 H new ATOM 0 HB2 SER A 23 11.573 32.672 -8.649 1.00 21.21 H new ATOM 0 HB3 SER A 23 11.638 31.557 -9.999 1.00 21.21 H new ATOM 0 HG SER A 23 13.729 32.397 -9.452 1.00 62.02 H new ATOM 352 N LEU A 24 11.978 33.710 -12.608 1.00 35.12 N ATOM 353 CA LEU A 24 12.718 34.406 -13.654 1.00 40.31 C ATOM 354 C LEU A 24 11.989 35.675 -14.084 1.00 42.35 C ATOM 355 O LEU A 24 12.565 36.763 -14.088 1.00 20.23 O ATOM 356 CB LEU A 24 12.922 33.488 -14.860 1.00 74.50 C ATOM 357 CG LEU A 24 14.279 32.790 -14.951 1.00 22.13 C ATOM 358 CD1 LEU A 24 15.356 33.772 -15.383 1.00 44.43 C ATOM 359 CD2 LEU A 24 14.641 32.152 -13.617 1.00 61.24 C ATOM 0 H LEU A 24 11.804 32.723 -12.800 1.00 35.12 H new ATOM 0 HA LEU A 24 13.691 34.687 -13.251 1.00 40.31 H new ATOM 0 HB2 LEU A 24 12.144 32.725 -14.846 1.00 74.50 H new ATOM 0 HB3 LEU A 24 12.777 34.075 -15.767 1.00 74.50 H new ATOM 0 HG LEU A 24 14.212 32.003 -15.702 1.00 22.13 H new ATOM 0 HD11 LEU A 24 16.315 33.257 -15.442 1.00 44.43 H new ATOM 0 HD12 LEU A 24 15.103 34.182 -16.361 1.00 44.43 H new ATOM 0 HD13 LEU A 24 15.423 34.582 -14.656 1.00 44.43 H new ATOM 0 HD21 LEU A 24 15.610 31.660 -13.700 1.00 61.24 H new ATOM 0 HD22 LEU A 24 14.690 32.922 -12.847 1.00 61.24 H new ATOM 0 HD23 LEU A 24 13.883 31.417 -13.347 1.00 61.24 H new ATOM 371 N ALA A 25 10.719 35.528 -14.445 1.00 54.22 N ATOM 372 CA ALA A 25 9.910 36.663 -14.873 1.00 72.21 C ATOM 373 C ALA A 25 9.861 37.740 -13.795 1.00 32.12 C ATOM 374 O ALA A 25 9.993 38.929 -14.086 1.00 13.12 O ATOM 375 CB ALA A 25 8.503 36.204 -15.228 1.00 41.21 C ATOM 0 H ALA A 25 10.228 34.634 -14.450 1.00 54.22 H new ATOM 0 HA ALA A 25 10.374 37.095 -15.760 1.00 72.21 H new ATOM 0 HB1 ALA A 25 7.910 37.061 -15.546 1.00 41.21 H new ATOM 0 HB2 ALA A 25 8.551 35.476 -16.038 1.00 41.21 H new ATOM 0 HB3 ALA A 25 8.039 35.745 -14.355 1.00 41.21 H new ATOM 381 N ILE A 26 9.670 37.316 -12.550 1.00 72.00 N ATOM 382 CA ILE A 26 9.604 38.245 -11.429 1.00 11.11 C ATOM 383 C ILE A 26 10.906 39.026 -11.285 1.00 32.13 C ATOM 384 O ILE A 26 10.895 40.238 -11.064 1.00 73.34 O ATOM 385 CB ILE A 26 9.309 37.512 -10.107 1.00 10.01 C ATOM 386 CG1 ILE A 26 7.912 36.890 -10.144 1.00 73.22 C ATOM 387 CG2 ILE A 26 9.438 38.469 -8.931 1.00 34.52 C ATOM 388 CD1 ILE A 26 7.722 35.771 -9.144 1.00 73.44 C ATOM 0 H ILE A 26 9.558 36.335 -12.293 1.00 72.00 H new ATOM 0 HA ILE A 26 8.789 38.937 -11.640 1.00 11.11 H new ATOM 0 HB ILE A 26 10.039 36.712 -9.981 1.00 10.01 H new ATOM 0 HG12 ILE A 26 7.172 37.667 -9.952 1.00 73.22 H new ATOM 0 HG13 ILE A 26 7.720 36.507 -11.146 1.00 73.22 H new ATOM 0 HG21 ILE A 26 9.227 37.937 -8.004 1.00 34.52 H new ATOM 0 HG22 ILE A 26 10.451 38.869 -8.897 1.00 34.52 H new ATOM 0 HG23 ILE A 26 8.729 39.288 -9.049 1.00 34.52 H new ATOM 0 HD11 ILE A 26 6.709 35.377 -9.227 1.00 73.44 H new ATOM 0 HD12 ILE A 26 8.438 34.975 -9.348 1.00 73.44 H new ATOM 0 HD13 ILE A 26 7.882 36.153 -8.136 1.00 73.44 H new ATOM 400 N LEU A 27 12.027 38.325 -11.412 1.00 72.31 N ATOM 401 CA LEU A 27 13.339 38.952 -11.298 1.00 51.10 C ATOM 402 C LEU A 27 13.528 40.018 -12.372 1.00 51.24 C ATOM 403 O LEU A 27 14.258 40.990 -12.176 1.00 72.11 O ATOM 404 CB LEU A 27 14.442 37.898 -11.410 1.00 34.11 C ATOM 405 CG LEU A 27 15.321 37.712 -10.173 1.00 14.14 C ATOM 406 CD1 LEU A 27 16.123 36.424 -10.276 1.00 51.33 C ATOM 407 CD2 LEU A 27 16.246 38.906 -9.992 1.00 3.33 C ATOM 0 H LEU A 27 12.054 37.322 -11.594 1.00 72.31 H new ATOM 0 HA LEU A 27 13.401 39.431 -10.321 1.00 51.10 H new ATOM 0 HB2 LEU A 27 13.979 36.941 -11.649 1.00 34.11 H new ATOM 0 HB3 LEU A 27 15.084 38.161 -12.251 1.00 34.11 H new ATOM 0 HG LEU A 27 14.674 37.643 -9.298 1.00 14.14 H new ATOM 0 HD11 LEU A 27 16.742 36.309 -9.387 1.00 51.33 H new ATOM 0 HD12 LEU A 27 15.442 35.577 -10.356 1.00 51.33 H new ATOM 0 HD13 LEU A 27 16.760 36.462 -11.160 1.00 51.33 H new ATOM 0 HD21 LEU A 27 16.864 38.756 -9.107 1.00 3.33 H new ATOM 0 HD22 LEU A 27 16.886 39.007 -10.869 1.00 3.33 H new ATOM 0 HD23 LEU A 27 15.652 39.812 -9.871 1.00 3.33 H new ATOM 419 N VAL A 28 12.864 39.831 -13.508 1.00 75.44 N ATOM 420 CA VAL A 28 12.955 40.778 -14.613 1.00 65.42 C ATOM 421 C VAL A 28 12.175 42.052 -14.311 1.00 71.11 C ATOM 422 O VAL A 28 12.621 43.155 -14.625 1.00 43.43 O ATOM 423 CB VAL A 28 12.428 40.164 -15.924 1.00 10.02 C ATOM 424 CG1 VAL A 28 12.132 41.254 -16.942 1.00 55.05 C ATOM 425 CG2 VAL A 28 13.425 39.159 -16.481 1.00 4.55 C ATOM 0 H VAL A 28 12.257 39.031 -13.687 1.00 75.44 H new ATOM 0 HA VAL A 28 14.010 41.022 -14.734 1.00 65.42 H new ATOM 0 HB VAL A 28 11.498 39.637 -15.710 1.00 10.02 H new ATOM 0 HG11 VAL A 28 11.761 40.802 -17.862 1.00 55.05 H new ATOM 0 HG12 VAL A 28 11.378 41.932 -16.541 1.00 55.05 H new ATOM 0 HG13 VAL A 28 13.045 41.811 -17.154 1.00 55.05 H new ATOM 0 HG21 VAL A 28 13.036 38.736 -17.407 1.00 4.55 H new ATOM 0 HG22 VAL A 28 14.373 39.659 -16.681 1.00 4.55 H new ATOM 0 HG23 VAL A 28 13.582 38.361 -15.755 1.00 4.55 H new ATOM 435 N PHE A 29 11.006 41.892 -13.699 1.00 4.23 N ATOM 436 CA PHE A 29 10.162 43.030 -13.354 1.00 2.21 C ATOM 437 C PHE A 29 10.781 43.843 -12.221 1.00 22.15 C ATOM 438 O PHE A 29 10.696 45.071 -12.204 1.00 52.11 O ATOM 439 CB PHE A 29 8.766 42.553 -12.950 1.00 73.44 C ATOM 440 CG PHE A 29 7.990 41.943 -14.083 1.00 62.20 C ATOM 441 CD1 PHE A 29 7.640 42.702 -15.188 1.00 62.32 C ATOM 442 CD2 PHE A 29 7.611 40.611 -14.042 1.00 74.22 C ATOM 443 CE1 PHE A 29 6.927 42.144 -16.232 1.00 71.44 C ATOM 444 CE2 PHE A 29 6.898 40.047 -15.084 1.00 13.35 C ATOM 445 CZ PHE A 29 6.554 40.815 -16.179 1.00 64.23 C ATOM 0 H PHE A 29 10.622 40.986 -13.432 1.00 4.23 H new ATOM 0 HA PHE A 29 10.080 43.669 -14.233 1.00 2.21 H new ATOM 0 HB2 PHE A 29 8.859 41.821 -12.148 1.00 73.44 H new ATOM 0 HB3 PHE A 29 8.205 43.396 -12.548 1.00 73.44 H new ATOM 0 HD1 PHE A 29 7.928 43.742 -15.234 1.00 62.32 H new ATOM 0 HD2 PHE A 29 7.875 40.007 -13.187 1.00 74.22 H new ATOM 0 HE1 PHE A 29 6.662 42.746 -17.088 1.00 71.44 H new ATOM 0 HE2 PHE A 29 6.610 39.007 -15.042 1.00 13.35 H new ATOM 0 HZ PHE A 29 5.994 40.377 -16.992 1.00 64.23 H new ATOM 455 N TYR A 30 11.404 43.149 -11.275 1.00 34.45 N ATOM 456 CA TYR A 30 12.035 43.804 -10.135 1.00 55.42 C ATOM 457 C TYR A 30 13.405 44.356 -10.515 1.00 24.04 C ATOM 458 O TYR A 30 13.906 45.292 -9.890 1.00 10.21 O ATOM 459 CB TYR A 30 12.172 42.825 -8.968 1.00 54.21 C ATOM 460 CG TYR A 30 10.990 42.838 -8.025 1.00 11.10 C ATOM 461 CD1 TYR A 30 10.581 44.014 -7.407 1.00 64.43 C ATOM 462 CD2 TYR A 30 10.281 41.674 -7.752 1.00 42.33 C ATOM 463 CE1 TYR A 30 9.503 44.030 -6.544 1.00 72.43 C ATOM 464 CE2 TYR A 30 9.200 41.681 -6.892 1.00 4.21 C ATOM 465 CZ TYR A 30 8.815 42.861 -6.290 1.00 44.10 C ATOM 466 OH TYR A 30 7.740 42.873 -5.432 1.00 54.21 O ATOM 0 H TYR A 30 11.486 42.132 -11.275 1.00 34.45 H new ATOM 0 HA TYR A 30 11.400 44.636 -9.829 1.00 55.42 H new ATOM 0 HB2 TYR A 30 12.300 41.817 -9.363 1.00 54.21 H new ATOM 0 HB3 TYR A 30 13.076 43.065 -8.408 1.00 54.21 H new ATOM 0 HD1 TYR A 30 11.116 44.931 -7.605 1.00 64.43 H new ATOM 0 HD2 TYR A 30 10.580 40.748 -8.220 1.00 42.33 H new ATOM 0 HE1 TYR A 30 9.200 44.952 -6.071 1.00 72.43 H new ATOM 0 HE2 TYR A 30 8.659 40.768 -6.692 1.00 4.21 H new ATOM 0 HH TYR A 30 7.366 41.970 -5.363 1.00 54.21 H new ATOM 476 N LEU A 31 14.008 43.769 -11.543 1.00 53.42 N ATOM 477 CA LEU A 31 15.321 44.201 -12.009 1.00 1.25 C ATOM 478 C LEU A 31 15.406 44.142 -13.530 1.00 41.24 C ATOM 479 O LEU A 31 16.079 43.287 -14.106 1.00 42.23 O ATOM 480 CB LEU A 31 16.415 43.328 -11.391 1.00 41.40 C ATOM 481 CG LEU A 31 16.780 43.637 -9.939 1.00 11.05 C ATOM 482 CD1 LEU A 31 15.913 42.828 -8.987 1.00 33.32 C ATOM 483 CD2 LEU A 31 18.255 43.357 -9.688 1.00 14.20 C ATOM 0 H LEU A 31 13.608 42.992 -12.070 1.00 53.42 H new ATOM 0 HA LEU A 31 15.469 45.235 -11.696 1.00 1.25 H new ATOM 0 HB2 LEU A 31 16.098 42.287 -11.451 1.00 41.40 H new ATOM 0 HB3 LEU A 31 17.315 43.423 -11.999 1.00 41.40 H new ATOM 0 HG LEU A 31 16.595 44.696 -9.756 1.00 11.05 H new ATOM 0 HD11 LEU A 31 16.187 43.061 -7.958 1.00 33.32 H new ATOM 0 HD12 LEU A 31 14.864 43.078 -9.149 1.00 33.32 H new ATOM 0 HD13 LEU A 31 16.065 41.764 -9.171 1.00 33.32 H new ATOM 0 HD21 LEU A 31 18.497 43.583 -8.649 1.00 14.20 H new ATOM 0 HD22 LEU A 31 18.465 42.307 -9.890 1.00 14.20 H new ATOM 0 HD23 LEU A 31 18.861 43.981 -10.345 1.00 14.20 H new ATOM 495 N PRO A 32 14.710 45.073 -14.199 1.00 15.43 N ATOM 496 CA PRO A 32 14.693 45.150 -15.663 1.00 14.35 C ATOM 497 C PRO A 32 16.032 45.601 -16.235 1.00 21.11 C ATOM 498 O PRO A 32 16.859 46.175 -15.527 1.00 0.14 O ATOM 499 CB PRO A 32 13.610 46.193 -15.950 1.00 51.44 C ATOM 500 CG PRO A 32 13.564 47.040 -14.725 1.00 72.51 C ATOM 501 CD PRO A 32 13.885 46.123 -13.577 1.00 3.41 C ATOM 0 HA PRO A 32 14.501 44.179 -16.120 1.00 14.35 H new ATOM 0 HB2 PRO A 32 13.855 46.785 -16.832 1.00 51.44 H new ATOM 0 HB3 PRO A 32 12.646 45.721 -16.141 1.00 51.44 H new ATOM 0 HG2 PRO A 32 14.285 47.855 -14.787 1.00 72.51 H new ATOM 0 HG3 PRO A 32 12.580 47.493 -14.600 1.00 72.51 H new ATOM 0 HD2 PRO A 32 14.426 46.643 -12.786 1.00 3.41 H new ATOM 0 HD3 PRO A 32 12.982 45.711 -13.127 1.00 3.41 H new ATOM 509 N SER A 33 16.240 45.337 -17.521 1.00 53.31 N ATOM 510 CA SER A 33 17.481 45.713 -18.188 1.00 30.02 C ATOM 511 C SER A 33 17.207 46.658 -19.354 1.00 31.31 C ATOM 512 O SER A 33 16.083 47.124 -19.538 1.00 53.51 O ATOM 513 CB SER A 33 18.214 44.466 -18.688 1.00 15.41 C ATOM 514 OG SER A 33 19.618 44.649 -18.644 1.00 62.54 O ATOM 0 H SER A 33 15.565 44.864 -18.122 1.00 53.31 H new ATOM 0 HA SER A 33 18.111 46.231 -17.465 1.00 30.02 H new ATOM 0 HB2 SER A 33 17.937 43.607 -18.077 1.00 15.41 H new ATOM 0 HB3 SER A 33 17.905 44.243 -19.709 1.00 15.41 H new ATOM 0 HG SER A 33 20.064 43.838 -18.967 1.00 62.54 H new ATOM 520 N ASP A 34 18.243 46.935 -20.138 1.00 74.13 N ATOM 521 CA ASP A 34 18.115 47.823 -21.288 1.00 10.11 C ATOM 522 C ASP A 34 18.023 47.024 -22.584 1.00 51.22 C ATOM 523 O ASP A 34 17.576 47.537 -23.611 1.00 14.33 O ATOM 524 CB ASP A 34 19.302 48.785 -21.350 1.00 43.14 C ATOM 525 CG ASP A 34 19.484 49.564 -20.063 1.00 4.52 C ATOM 526 OD1 ASP A 34 19.833 48.943 -19.038 1.00 23.22 O ATOM 527 OD2 ASP A 34 19.277 50.796 -20.080 1.00 10.11 O ATOM 0 H ASP A 34 19.180 46.558 -19.998 1.00 74.13 H new ATOM 0 HA ASP A 34 17.197 48.398 -21.172 1.00 10.11 H new ATOM 0 HB2 ASP A 34 20.211 48.222 -21.562 1.00 43.14 H new ATOM 0 HB3 ASP A 34 19.158 49.482 -22.176 1.00 43.14 H new ATOM 532 N CYS A 35 18.450 45.767 -22.530 1.00 54.40 N ATOM 533 CA CYS A 35 18.417 44.898 -23.701 1.00 22.23 C ATOM 534 C CYS A 35 16.996 44.422 -23.985 1.00 64.03 C ATOM 535 O CYS A 35 16.691 43.970 -25.088 1.00 43.01 O ATOM 536 CB CYS A 35 19.339 43.695 -23.494 1.00 0.20 C ATOM 537 SG CYS A 35 20.442 43.363 -24.887 1.00 62.45 S ATOM 0 H CYS A 35 18.823 45.327 -21.689 1.00 54.40 H new ATOM 0 HA CYS A 35 18.767 45.472 -24.559 1.00 22.23 H new ATOM 0 HB2 CYS A 35 19.940 43.861 -22.600 1.00 0.20 H new ATOM 0 HB3 CYS A 35 18.729 42.811 -23.309 1.00 0.20 H new ATOM 0 HG CYS A 35 21.183 42.330 -24.617 1.00 62.45 H new ATOM 543 N GLY A 36 16.131 44.526 -22.981 1.00 74.54 N ATOM 544 CA GLY A 36 14.753 44.100 -23.143 1.00 54.24 C ATOM 545 C GLY A 36 14.535 42.664 -22.711 1.00 74.33 C ATOM 546 O GLY A 36 14.068 41.838 -23.495 1.00 31.21 O ATOM 0 H GLY A 36 16.359 44.897 -22.059 1.00 74.54 H new ATOM 0 HA2 GLY A 36 14.103 44.754 -22.561 1.00 54.24 H new ATOM 0 HA3 GLY A 36 14.463 44.210 -24.188 1.00 54.24 H new ATOM 550 N GLU A 37 14.875 42.365 -21.461 1.00 51.13 N ATOM 551 CA GLU A 37 14.716 41.017 -20.928 1.00 55.32 C ATOM 552 C GLU A 37 13.245 40.611 -20.907 1.00 32.01 C ATOM 553 O GLU A 37 12.917 39.426 -20.839 1.00 13.21 O ATOM 554 CB GLU A 37 15.300 40.931 -19.517 1.00 23.31 C ATOM 555 CG GLU A 37 16.081 39.653 -19.259 1.00 32.21 C ATOM 556 CD GLU A 37 17.372 39.900 -18.504 1.00 3.32 C ATOM 557 OE1 GLU A 37 17.301 40.277 -17.315 1.00 32.40 O ATOM 558 OE2 GLU A 37 18.454 39.718 -19.101 1.00 14.21 O ATOM 0 H GLU A 37 15.262 43.038 -20.799 1.00 51.13 H new ATOM 0 HA GLU A 37 15.256 40.330 -21.579 1.00 55.32 H new ATOM 0 HB2 GLU A 37 15.954 41.787 -19.351 1.00 23.31 H new ATOM 0 HB3 GLU A 37 14.489 41.004 -18.792 1.00 23.31 H new ATOM 0 HG2 GLU A 37 15.460 38.960 -18.691 1.00 32.21 H new ATOM 0 HG3 GLU A 37 16.307 39.172 -20.210 1.00 32.21 H new ATOM 565 N LYS A 38 12.362 41.603 -20.965 1.00 23.40 N ATOM 566 CA LYS A 38 10.926 41.351 -20.953 1.00 41.13 C ATOM 567 C LYS A 38 10.521 40.455 -22.120 1.00 1.53 C ATOM 568 O LYS A 38 9.788 39.483 -21.942 1.00 42.01 O ATOM 569 CB LYS A 38 10.156 42.672 -21.019 1.00 33.30 C ATOM 570 CG LYS A 38 10.024 43.366 -19.675 1.00 13.52 C ATOM 571 CD LYS A 38 11.329 44.022 -19.255 1.00 72.13 C ATOM 572 CE LYS A 38 11.086 45.358 -18.569 1.00 65.43 C ATOM 573 NZ LYS A 38 10.605 46.393 -19.525 1.00 71.13 N ATOM 0 H LYS A 38 12.616 42.589 -21.021 1.00 23.40 H new ATOM 0 HA LYS A 38 10.679 40.839 -20.023 1.00 41.13 H new ATOM 0 HB2 LYS A 38 10.659 43.342 -21.717 1.00 33.30 H new ATOM 0 HB3 LYS A 38 9.160 42.483 -21.420 1.00 33.30 H new ATOM 0 HG2 LYS A 38 9.238 44.119 -19.729 1.00 13.52 H new ATOM 0 HG3 LYS A 38 9.720 42.642 -18.919 1.00 13.52 H new ATOM 0 HD2 LYS A 38 11.870 43.359 -18.580 1.00 72.13 H new ATOM 0 HD3 LYS A 38 11.961 44.171 -20.131 1.00 72.13 H new ATOM 0 HE2 LYS A 38 10.352 45.229 -17.773 1.00 65.43 H new ATOM 0 HE3 LYS A 38 12.009 45.698 -18.099 1.00 65.43 H new ATOM 0 HZ1 LYS A 38 10.771 47.339 -19.125 1.00 71.13 H new ATOM 0 HZ2 LYS A 38 11.120 46.302 -20.424 1.00 71.13 H new ATOM 0 HZ3 LYS A 38 9.587 46.263 -19.695 1.00 71.13 H new ATOM 587 N MET A 39 11.004 40.790 -23.312 1.00 22.41 N ATOM 588 CA MET A 39 10.694 40.013 -24.507 1.00 11.13 C ATOM 589 C MET A 39 11.473 38.702 -24.520 1.00 62.14 C ATOM 590 O MET A 39 10.976 37.676 -24.987 1.00 15.35 O ATOM 591 CB MET A 39 11.014 40.823 -25.765 1.00 14.14 C ATOM 592 CG MET A 39 9.876 40.855 -26.772 1.00 13.51 C ATOM 593 SD MET A 39 9.636 39.272 -27.600 1.00 60.12 S ATOM 594 CE MET A 39 7.934 39.425 -28.137 1.00 20.33 C ATOM 0 H MET A 39 11.611 41.593 -23.476 1.00 22.41 H new ATOM 0 HA MET A 39 9.629 39.782 -24.494 1.00 11.13 H new ATOM 0 HB2 MET A 39 11.262 41.844 -25.476 1.00 14.14 H new ATOM 0 HB3 MET A 39 11.899 40.403 -26.242 1.00 14.14 H new ATOM 0 HG2 MET A 39 8.954 41.138 -26.264 1.00 13.51 H new ATOM 0 HG3 MET A 39 10.078 41.624 -27.518 1.00 13.51 H new ATOM 0 HE1 MET A 39 7.637 38.520 -28.667 1.00 20.33 H new ATOM 0 HE2 MET A 39 7.290 39.565 -27.269 1.00 20.33 H new ATOM 0 HE3 MET A 39 7.838 40.283 -28.802 1.00 20.33 H new ATOM 604 N THR A 40 12.699 38.741 -24.007 1.00 12.33 N ATOM 605 CA THR A 40 13.547 37.557 -23.961 1.00 41.15 C ATOM 606 C THR A 40 12.952 36.489 -23.051 1.00 3.22 C ATOM 607 O THR A 40 13.130 35.292 -23.282 1.00 4.45 O ATOM 608 CB THR A 40 14.966 37.901 -23.471 1.00 43.15 C ATOM 609 OG1 THR A 40 15.214 39.302 -23.632 1.00 13.45 O ATOM 610 CG2 THR A 40 16.011 37.106 -24.239 1.00 24.41 C ATOM 0 H THR A 40 13.127 39.581 -23.617 1.00 12.33 H new ATOM 0 HA THR A 40 13.606 37.171 -24.979 1.00 41.15 H new ATOM 0 HB THR A 40 15.035 37.639 -22.415 1.00 43.15 H new ATOM 0 HG1 THR A 40 16.162 39.487 -23.469 1.00 13.45 H new ATOM 0 HG21 THR A 40 17.005 37.366 -23.876 1.00 24.41 H new ATOM 0 HG22 THR A 40 15.838 36.040 -24.092 1.00 24.41 H new ATOM 0 HG23 THR A 40 15.940 37.342 -25.301 1.00 24.41 H new ATOM 618 N LEU A 41 12.245 36.928 -22.016 1.00 15.21 N ATOM 619 CA LEU A 41 11.622 36.009 -21.070 1.00 33.13 C ATOM 620 C LEU A 41 10.411 35.323 -21.694 1.00 31.31 C ATOM 621 O LEU A 41 10.255 34.105 -21.593 1.00 53.24 O ATOM 622 CB LEU A 41 11.202 36.757 -19.803 1.00 71.40 C ATOM 623 CG LEU A 41 11.575 36.093 -18.477 1.00 74.30 C ATOM 624 CD1 LEU A 41 10.863 34.757 -18.330 1.00 61.33 C ATOM 625 CD2 LEU A 41 13.082 35.910 -18.377 1.00 61.03 C ATOM 0 H LEU A 41 12.089 37.915 -21.810 1.00 15.21 H new ATOM 0 HA LEU A 41 12.354 35.245 -20.808 1.00 33.13 H new ATOM 0 HB2 LEU A 41 11.649 37.751 -19.827 1.00 71.40 H new ATOM 0 HB3 LEU A 41 10.121 36.893 -19.827 1.00 71.40 H new ATOM 0 HG LEU A 41 11.254 36.744 -17.664 1.00 74.30 H new ATOM 0 HD11 LEU A 41 11.141 34.299 -17.381 1.00 61.33 H new ATOM 0 HD12 LEU A 41 9.785 34.915 -18.355 1.00 61.33 H new ATOM 0 HD13 LEU A 41 11.153 34.098 -19.149 1.00 61.33 H new ATOM 0 HD21 LEU A 41 13.329 35.436 -17.427 1.00 61.03 H new ATOM 0 HD22 LEU A 41 13.427 35.280 -19.197 1.00 61.03 H new ATOM 0 HD23 LEU A 41 13.571 36.882 -18.435 1.00 61.03 H new ATOM 637 N CYS A 42 9.558 36.111 -22.339 1.00 65.24 N ATOM 638 CA CYS A 42 8.362 35.579 -22.982 1.00 12.02 C ATOM 639 C CYS A 42 8.723 34.491 -23.988 1.00 34.34 C ATOM 640 O CYS A 42 8.021 33.486 -24.108 1.00 51.13 O ATOM 641 CB CYS A 42 7.591 36.701 -23.680 1.00 63.51 C ATOM 642 SG CYS A 42 6.285 36.120 -24.787 1.00 50.34 S ATOM 0 H CYS A 42 9.672 37.120 -22.431 1.00 65.24 H new ATOM 0 HA CYS A 42 7.730 35.139 -22.210 1.00 12.02 H new ATOM 0 HB2 CYS A 42 7.149 37.349 -22.923 1.00 63.51 H new ATOM 0 HB3 CYS A 42 8.293 37.309 -24.251 1.00 63.51 H new ATOM 0 HG CYS A 42 5.689 37.141 -25.328 1.00 50.34 H new ATOM 648 N ILE A 43 9.820 34.698 -24.708 1.00 14.40 N ATOM 649 CA ILE A 43 10.273 33.735 -25.704 1.00 12.23 C ATOM 650 C ILE A 43 10.842 32.486 -25.041 1.00 24.34 C ATOM 651 O ILE A 43 10.717 31.380 -25.566 1.00 31.41 O ATOM 652 CB ILE A 43 11.342 34.344 -26.630 1.00 60.10 C ATOM 653 CG1 ILE A 43 10.683 35.215 -27.702 1.00 25.12 C ATOM 654 CG2 ILE A 43 12.175 33.244 -27.272 1.00 1.44 C ATOM 655 CD1 ILE A 43 11.614 36.248 -28.297 1.00 4.34 C ATOM 0 H ILE A 43 10.412 35.524 -24.620 1.00 14.40 H new ATOM 0 HA ILE A 43 9.402 33.462 -26.299 1.00 12.23 H new ATOM 0 HB ILE A 43 12.003 34.973 -26.034 1.00 60.10 H new ATOM 0 HG12 ILE A 43 10.308 34.574 -28.499 1.00 25.12 H new ATOM 0 HG13 ILE A 43 9.821 35.722 -27.268 1.00 25.12 H new ATOM 0 HG21 ILE A 43 12.926 33.690 -27.924 1.00 1.44 H new ATOM 0 HG22 ILE A 43 12.669 32.661 -26.495 1.00 1.44 H new ATOM 0 HG23 ILE A 43 11.527 32.592 -27.858 1.00 1.44 H new ATOM 0 HD11 ILE A 43 11.080 36.829 -29.049 1.00 4.34 H new ATOM 0 HD12 ILE A 43 11.970 36.913 -27.510 1.00 4.34 H new ATOM 0 HD13 ILE A 43 12.464 35.748 -28.761 1.00 4.34 H new ATOM 667 N SER A 44 11.468 32.670 -23.882 1.00 54.02 N ATOM 668 CA SER A 44 12.059 31.558 -23.147 1.00 73.12 C ATOM 669 C SER A 44 10.977 30.699 -22.500 1.00 20.43 C ATOM 670 O SER A 44 10.860 29.507 -22.787 1.00 14.23 O ATOM 671 CB SER A 44 13.020 32.079 -22.077 1.00 40.54 C ATOM 672 OG SER A 44 13.562 31.014 -21.316 1.00 0.41 O ATOM 0 H SER A 44 11.579 33.579 -23.432 1.00 54.02 H new ATOM 0 HA SER A 44 12.614 30.942 -23.854 1.00 73.12 H new ATOM 0 HB2 SER A 44 13.827 32.639 -22.550 1.00 40.54 H new ATOM 0 HB3 SER A 44 12.495 32.771 -21.418 1.00 40.54 H new ATOM 0 HG SER A 44 14.174 31.373 -20.640 1.00 0.41 H new ATOM 678 N VAL A 45 10.188 31.313 -21.624 1.00 30.54 N ATOM 679 CA VAL A 45 9.115 30.606 -20.935 1.00 75.31 C ATOM 680 C VAL A 45 8.212 29.878 -21.925 1.00 40.33 C ATOM 681 O VAL A 45 7.638 28.835 -21.609 1.00 1.31 O ATOM 682 CB VAL A 45 8.260 31.569 -20.090 1.00 52.02 C ATOM 683 CG1 VAL A 45 7.775 32.736 -20.937 1.00 73.42 C ATOM 684 CG2 VAL A 45 7.087 30.830 -19.464 1.00 12.11 C ATOM 0 H VAL A 45 10.272 32.299 -21.375 1.00 30.54 H new ATOM 0 HA VAL A 45 9.588 29.878 -20.276 1.00 75.31 H new ATOM 0 HB VAL A 45 8.879 31.967 -19.286 1.00 52.02 H new ATOM 0 HG11 VAL A 45 7.173 33.406 -20.323 1.00 73.42 H new ATOM 0 HG12 VAL A 45 8.633 33.280 -21.333 1.00 73.42 H new ATOM 0 HG13 VAL A 45 7.171 32.360 -21.763 1.00 73.42 H new ATOM 0 HG21 VAL A 45 6.494 31.526 -18.871 1.00 12.11 H new ATOM 0 HG22 VAL A 45 6.465 30.402 -20.250 1.00 12.11 H new ATOM 0 HG23 VAL A 45 7.460 30.032 -18.822 1.00 12.11 H new ATOM 694 N LEU A 46 8.091 30.434 -23.126 1.00 11.44 N ATOM 695 CA LEU A 46 7.258 29.838 -24.164 1.00 50.34 C ATOM 696 C LEU A 46 7.886 28.554 -24.695 1.00 73.53 C ATOM 697 O LEU A 46 7.212 27.532 -24.834 1.00 74.15 O ATOM 698 CB LEU A 46 7.051 30.830 -25.311 1.00 33.32 C ATOM 699 CG LEU A 46 6.435 30.259 -26.589 1.00 33.04 C ATOM 700 CD1 LEU A 46 5.351 31.185 -27.119 1.00 4.31 C ATOM 701 CD2 LEU A 46 7.508 30.032 -27.643 1.00 41.21 C ATOM 0 H LEU A 46 8.559 31.296 -23.404 1.00 11.44 H new ATOM 0 HA LEU A 46 6.291 29.593 -23.724 1.00 50.34 H new ATOM 0 HB2 LEU A 46 6.414 31.639 -24.954 1.00 33.32 H new ATOM 0 HB3 LEU A 46 8.016 31.271 -25.562 1.00 33.32 H new ATOM 0 HG LEU A 46 5.979 29.298 -26.352 1.00 33.04 H new ATOM 0 HD11 LEU A 46 4.924 30.762 -28.029 1.00 4.31 H new ATOM 0 HD12 LEU A 46 4.568 31.296 -26.368 1.00 4.31 H new ATOM 0 HD13 LEU A 46 5.783 32.161 -27.340 1.00 4.31 H new ATOM 0 HD21 LEU A 46 7.051 29.625 -28.545 1.00 41.21 H new ATOM 0 HD22 LEU A 46 7.994 30.979 -27.877 1.00 41.21 H new ATOM 0 HD23 LEU A 46 8.249 29.329 -27.263 1.00 41.21 H new ATOM 713 N LEU A 47 9.180 28.611 -24.988 1.00 61.12 N ATOM 714 CA LEU A 47 9.900 27.451 -25.502 1.00 24.12 C ATOM 715 C LEU A 47 9.790 26.272 -24.540 1.00 63.03 C ATOM 716 O LEU A 47 9.687 25.121 -24.963 1.00 75.02 O ATOM 717 CB LEU A 47 11.372 27.800 -25.732 1.00 12.43 C ATOM 718 CG LEU A 47 11.822 27.882 -27.191 1.00 22.13 C ATOM 719 CD1 LEU A 47 12.682 29.116 -27.416 1.00 15.31 C ATOM 720 CD2 LEU A 47 12.580 26.623 -27.586 1.00 61.11 C ATOM 0 H LEU A 47 9.753 29.448 -24.879 1.00 61.12 H new ATOM 0 HA LEU A 47 9.448 27.165 -26.452 1.00 24.12 H new ATOM 0 HB2 LEU A 47 11.576 28.759 -25.255 1.00 12.43 H new ATOM 0 HB3 LEU A 47 11.985 27.055 -25.225 1.00 12.43 H new ATOM 0 HG LEU A 47 10.936 27.962 -27.821 1.00 22.13 H new ATOM 0 HD11 LEU A 47 12.993 29.157 -28.460 1.00 15.31 H new ATOM 0 HD12 LEU A 47 12.107 30.009 -27.173 1.00 15.31 H new ATOM 0 HD13 LEU A 47 13.563 29.067 -26.777 1.00 15.31 H new ATOM 0 HD21 LEU A 47 12.893 26.698 -28.627 1.00 61.11 H new ATOM 0 HD22 LEU A 47 13.459 26.513 -26.950 1.00 61.11 H new ATOM 0 HD23 LEU A 47 11.932 25.755 -27.464 1.00 61.11 H new ATOM 732 N ALA A 48 9.811 26.568 -23.245 1.00 25.42 N ATOM 733 CA ALA A 48 9.710 25.533 -22.223 1.00 74.23 C ATOM 734 C ALA A 48 8.384 24.787 -22.328 1.00 14.25 C ATOM 735 O ALA A 48 8.348 23.556 -22.303 1.00 41.13 O ATOM 736 CB ALA A 48 9.868 26.142 -20.838 1.00 34.42 C ATOM 0 H ALA A 48 9.897 27.516 -22.878 1.00 25.42 H new ATOM 0 HA ALA A 48 10.514 24.816 -22.386 1.00 74.23 H new ATOM 0 HB1 ALA A 48 9.790 25.358 -20.085 1.00 34.42 H new ATOM 0 HB2 ALA A 48 10.843 26.624 -20.761 1.00 34.42 H new ATOM 0 HB3 ALA A 48 9.084 26.881 -20.674 1.00 34.42 H new ATOM 742 N LEU A 49 7.295 25.539 -22.443 1.00 12.43 N ATOM 743 CA LEU A 49 5.965 24.949 -22.550 1.00 51.31 C ATOM 744 C LEU A 49 5.907 23.942 -23.694 1.00 21.53 C ATOM 745 O LEU A 49 5.401 22.831 -23.532 1.00 72.53 O ATOM 746 CB LEU A 49 4.916 26.042 -22.765 1.00 3.12 C ATOM 747 CG LEU A 49 3.458 25.582 -22.770 1.00 22.45 C ATOM 748 CD1 LEU A 49 2.961 25.370 -21.348 1.00 71.51 C ATOM 749 CD2 LEU A 49 2.583 26.591 -23.498 1.00 34.21 C ATOM 0 H LEU A 49 7.307 26.559 -22.465 1.00 12.43 H new ATOM 0 HA LEU A 49 5.751 24.426 -21.618 1.00 51.31 H new ATOM 0 HB2 LEU A 49 5.037 26.792 -21.983 1.00 3.12 H new ATOM 0 HB3 LEU A 49 5.124 26.535 -23.715 1.00 3.12 H new ATOM 0 HG LEU A 49 3.398 24.631 -23.300 1.00 22.45 H new ATOM 0 HD11 LEU A 49 1.922 25.043 -21.371 1.00 71.51 H new ATOM 0 HD12 LEU A 49 3.570 24.610 -20.859 1.00 71.51 H new ATOM 0 HD13 LEU A 49 3.035 26.306 -20.794 1.00 71.51 H new ATOM 0 HD21 LEU A 49 1.549 26.247 -23.492 1.00 34.21 H new ATOM 0 HD22 LEU A 49 2.647 27.557 -22.997 1.00 34.21 H new ATOM 0 HD23 LEU A 49 2.925 26.693 -24.528 1.00 34.21 H new ATOM 761 N THR A 50 6.431 24.336 -24.850 1.00 63.42 N ATOM 762 CA THR A 50 6.440 23.467 -26.021 1.00 5.24 C ATOM 763 C THR A 50 7.303 22.233 -25.783 1.00 33.14 C ATOM 764 O THR A 50 6.989 21.142 -26.260 1.00 15.34 O ATOM 765 CB THR A 50 6.959 24.209 -27.267 1.00 2.43 C ATOM 766 OG1 THR A 50 7.224 25.580 -26.946 1.00 22.50 O ATOM 767 CG2 THR A 50 5.948 24.135 -28.401 1.00 0.12 C ATOM 0 H THR A 50 6.855 25.251 -25.001 1.00 63.42 H new ATOM 0 HA THR A 50 5.409 23.159 -26.194 1.00 5.24 H new ATOM 0 HB THR A 50 7.881 23.727 -27.592 1.00 2.43 H new ATOM 0 HG1 THR A 50 7.555 26.044 -27.743 1.00 22.50 H new ATOM 0 HG21 THR A 50 6.337 24.666 -29.270 1.00 0.12 H new ATOM 0 HG22 THR A 50 5.770 23.092 -28.663 1.00 0.12 H new ATOM 0 HG23 THR A 50 5.012 24.594 -28.084 1.00 0.12 H new ATOM 775 N VAL A 51 8.392 22.411 -25.041 1.00 55.21 N ATOM 776 CA VAL A 51 9.299 21.311 -24.738 1.00 73.21 C ATOM 777 C VAL A 51 8.595 20.224 -23.933 1.00 1.44 C ATOM 778 O VAL A 51 8.810 19.033 -24.156 1.00 64.11 O ATOM 779 CB VAL A 51 10.531 21.799 -23.954 1.00 1.11 C ATOM 780 CG1 VAL A 51 11.304 20.619 -23.384 1.00 54.20 C ATOM 781 CG2 VAL A 51 11.424 22.652 -24.842 1.00 52.33 C ATOM 0 H VAL A 51 8.667 23.307 -24.639 1.00 55.21 H new ATOM 0 HA VAL A 51 9.626 20.898 -25.692 1.00 73.21 H new ATOM 0 HB VAL A 51 10.189 22.415 -23.122 1.00 1.11 H new ATOM 0 HG11 VAL A 51 12.171 20.984 -22.833 1.00 54.20 H new ATOM 0 HG12 VAL A 51 10.660 20.052 -22.712 1.00 54.20 H new ATOM 0 HG13 VAL A 51 11.636 19.974 -24.198 1.00 54.20 H new ATOM 0 HG21 VAL A 51 12.290 22.988 -24.272 1.00 52.33 H new ATOM 0 HG22 VAL A 51 11.759 22.062 -25.695 1.00 52.33 H new ATOM 0 HG23 VAL A 51 10.864 23.518 -25.196 1.00 52.33 H new ATOM 791 N PHE A 52 7.752 20.643 -22.994 1.00 43.34 N ATOM 792 CA PHE A 52 7.016 19.706 -22.154 1.00 63.22 C ATOM 793 C PHE A 52 6.016 18.904 -22.981 1.00 55.24 C ATOM 794 O PHE A 52 5.875 17.693 -22.804 1.00 52.41 O ATOM 795 CB PHE A 52 6.287 20.454 -21.036 1.00 45.01 C ATOM 796 CG PHE A 52 7.186 20.863 -19.904 1.00 51.41 C ATOM 797 CD1 PHE A 52 7.675 19.921 -19.014 1.00 72.44 C ATOM 798 CD2 PHE A 52 7.541 22.191 -19.730 1.00 11.44 C ATOM 799 CE1 PHE A 52 8.502 20.294 -17.972 1.00 21.11 C ATOM 800 CE2 PHE A 52 8.368 22.571 -18.689 1.00 61.53 C ATOM 801 CZ PHE A 52 8.848 21.621 -17.809 1.00 22.13 C ATOM 0 H PHE A 52 7.562 21.625 -22.796 1.00 43.34 H new ATOM 0 HA PHE A 52 7.732 19.014 -21.711 1.00 63.22 H new ATOM 0 HB2 PHE A 52 5.814 21.343 -21.453 1.00 45.01 H new ATOM 0 HB3 PHE A 52 5.490 19.821 -20.646 1.00 45.01 H new ATOM 0 HD1 PHE A 52 7.406 18.882 -19.136 1.00 72.44 H new ATOM 0 HD2 PHE A 52 7.168 22.938 -20.415 1.00 11.44 H new ATOM 0 HE1 PHE A 52 8.877 19.549 -17.286 1.00 21.11 H new ATOM 0 HE2 PHE A 52 8.638 23.609 -18.564 1.00 61.53 H new ATOM 0 HZ PHE A 52 9.493 21.915 -16.994 1.00 22.13 H new ATOM 811 N LEU A 53 5.322 19.588 -23.885 1.00 21.21 N ATOM 812 CA LEU A 53 4.333 18.941 -24.740 1.00 62.23 C ATOM 813 C LEU A 53 4.944 17.754 -25.478 1.00 65.10 C ATOM 814 O LEU A 53 4.398 16.650 -25.461 1.00 54.34 O ATOM 815 CB LEU A 53 3.766 19.944 -25.746 1.00 72.12 C ATOM 816 CG LEU A 53 2.272 20.245 -25.624 1.00 75.52 C ATOM 817 CD1 LEU A 53 1.450 19.009 -25.957 1.00 55.24 C ATOM 818 CD2 LEU A 53 1.941 20.746 -24.226 1.00 51.32 C ATOM 0 H LEU A 53 5.426 20.590 -24.044 1.00 21.21 H new ATOM 0 HA LEU A 53 3.525 18.575 -24.106 1.00 62.23 H new ATOM 0 HB2 LEU A 53 4.314 20.880 -25.644 1.00 72.12 H new ATOM 0 HB3 LEU A 53 3.960 19.569 -26.751 1.00 72.12 H new ATOM 0 HG LEU A 53 2.019 21.028 -26.338 1.00 75.52 H new ATOM 0 HD11 LEU A 53 0.389 19.242 -25.865 1.00 55.24 H new ATOM 0 HD12 LEU A 53 1.665 18.693 -26.978 1.00 55.24 H new ATOM 0 HD13 LEU A 53 1.706 18.205 -25.267 1.00 55.24 H new ATOM 0 HD21 LEU A 53 0.873 20.955 -24.158 1.00 51.32 H new ATOM 0 HD22 LEU A 53 2.209 19.985 -23.494 1.00 51.32 H new ATOM 0 HD23 LEU A 53 2.503 21.658 -24.024 1.00 51.32 H new ATOM 830 N LEU A 54 6.082 17.987 -26.123 1.00 2.21 N ATOM 831 CA LEU A 54 6.770 16.937 -26.865 1.00 62.43 C ATOM 832 C LEU A 54 7.286 15.853 -25.924 1.00 3.22 C ATOM 833 O LEU A 54 7.410 14.689 -26.308 1.00 1.32 O ATOM 834 CB LEU A 54 7.932 17.528 -27.666 1.00 75.23 C ATOM 835 CG LEU A 54 7.683 17.727 -29.162 1.00 31.51 C ATOM 836 CD1 LEU A 54 7.121 19.114 -29.430 1.00 33.12 C ATOM 837 CD2 LEU A 54 8.966 17.508 -29.950 1.00 24.14 C ATOM 0 H LEU A 54 6.548 18.894 -26.147 1.00 2.21 H new ATOM 0 HA LEU A 54 6.055 16.485 -27.553 1.00 62.43 H new ATOM 0 HB2 LEU A 54 8.194 18.492 -27.230 1.00 75.23 H new ATOM 0 HB3 LEU A 54 8.798 16.877 -27.546 1.00 75.23 H new ATOM 0 HG LEU A 54 6.949 16.991 -29.489 1.00 31.51 H new ATOM 0 HD11 LEU A 54 6.950 19.237 -30.500 1.00 33.12 H new ATOM 0 HD12 LEU A 54 6.178 19.234 -28.896 1.00 33.12 H new ATOM 0 HD13 LEU A 54 7.831 19.867 -29.087 1.00 33.12 H new ATOM 0 HD21 LEU A 54 8.770 17.654 -31.012 1.00 24.14 H new ATOM 0 HD22 LEU A 54 9.722 18.220 -29.620 1.00 24.14 H new ATOM 0 HD23 LEU A 54 9.326 16.493 -29.783 1.00 24.14 H new ATOM 849 N LEU A 55 7.584 16.242 -24.689 1.00 51.51 N ATOM 850 CA LEU A 55 8.085 15.304 -23.691 1.00 33.12 C ATOM 851 C LEU A 55 7.060 14.210 -23.410 1.00 32.33 C ATOM 852 O LEU A 55 7.354 13.021 -23.542 1.00 3.44 O ATOM 853 CB LEU A 55 8.428 16.042 -22.396 1.00 21.35 C ATOM 854 CG LEU A 55 9.906 16.059 -22.005 1.00 3.22 C ATOM 855 CD1 LEU A 55 10.298 17.424 -21.459 1.00 20.51 C ATOM 856 CD2 LEU A 55 10.201 14.970 -20.984 1.00 61.31 C ATOM 0 H LEU A 55 7.487 17.201 -24.355 1.00 51.51 H new ATOM 0 HA LEU A 55 8.988 14.838 -24.086 1.00 33.12 H new ATOM 0 HB2 LEU A 55 8.085 17.073 -22.487 1.00 21.35 H new ATOM 0 HB3 LEU A 55 7.863 15.588 -21.582 1.00 21.35 H new ATOM 0 HG LEU A 55 10.500 15.863 -22.898 1.00 3.22 H new ATOM 0 HD11 LEU A 55 11.353 17.417 -21.186 1.00 20.51 H new ATOM 0 HD12 LEU A 55 10.125 18.184 -22.221 1.00 20.51 H new ATOM 0 HD13 LEU A 55 9.697 17.650 -20.578 1.00 20.51 H new ATOM 0 HD21 LEU A 55 11.258 14.997 -20.718 1.00 61.31 H new ATOM 0 HD22 LEU A 55 9.597 15.135 -20.091 1.00 61.31 H new ATOM 0 HD23 LEU A 55 9.960 13.996 -21.410 1.00 61.31 H new ATOM 868 N ILE A 56 5.856 14.619 -23.024 1.00 71.21 N ATOM 869 CA ILE A 56 4.787 13.673 -22.728 1.00 52.32 C ATOM 870 C ILE A 56 4.325 12.953 -23.990 1.00 61.14 C ATOM 871 O ILE A 56 3.994 11.768 -23.955 1.00 70.22 O ATOM 872 CB ILE A 56 3.579 14.374 -22.080 1.00 14.43 C ATOM 873 CG1 ILE A 56 3.867 14.677 -20.608 1.00 14.41 C ATOM 874 CG2 ILE A 56 2.331 13.514 -22.215 1.00 25.42 C ATOM 875 CD1 ILE A 56 4.489 16.037 -20.382 1.00 2.35 C ATOM 0 H ILE A 56 5.596 15.599 -22.909 1.00 71.21 H new ATOM 0 HA ILE A 56 5.195 12.946 -22.026 1.00 52.32 H new ATOM 0 HB ILE A 56 3.404 15.317 -22.598 1.00 14.43 H new ATOM 0 HG12 ILE A 56 2.937 14.614 -20.044 1.00 14.41 H new ATOM 0 HG13 ILE A 56 4.533 13.911 -20.211 1.00 14.41 H new ATOM 0 HG21 ILE A 56 1.486 14.024 -21.752 1.00 25.42 H new ATOM 0 HG22 ILE A 56 2.118 13.345 -23.271 1.00 25.42 H new ATOM 0 HG23 ILE A 56 2.493 12.557 -21.719 1.00 25.42 H new ATOM 0 HD11 ILE A 56 4.666 16.184 -19.316 1.00 2.35 H new ATOM 0 HD12 ILE A 56 5.436 16.098 -20.918 1.00 2.35 H new ATOM 0 HD13 ILE A 56 3.814 16.811 -20.748 1.00 2.35 H new ATOM 1056 N SER A 69 -2.301 10.915 -16.253 1.00 52.14 N ATOM 1057 CA SER A 69 -2.994 11.640 -17.312 1.00 11.42 C ATOM 1058 C SER A 69 -2.511 13.086 -17.386 1.00 35.23 C ATOM 1059 O SER A 69 -2.891 13.922 -16.566 1.00 22.15 O ATOM 1060 CB SER A 69 -4.505 11.607 -17.077 1.00 75.20 C ATOM 1061 OG SER A 69 -4.807 11.192 -15.756 1.00 73.21 O ATOM 0 HA SER A 69 -2.770 11.151 -18.260 1.00 11.42 H new ATOM 0 HB2 SER A 69 -4.926 12.597 -17.256 1.00 75.20 H new ATOM 0 HB3 SER A 69 -4.972 10.928 -17.791 1.00 75.20 H new ATOM 0 HG SER A 69 -4.040 10.712 -15.381 1.00 73.21 H new ATOM 1067 N VAL A 70 -1.672 13.373 -18.375 1.00 64.23 N ATOM 1068 CA VAL A 70 -1.137 14.717 -18.559 1.00 23.35 C ATOM 1069 C VAL A 70 -2.252 15.720 -18.831 1.00 71.44 C ATOM 1070 O VAL A 70 -2.071 16.925 -18.667 1.00 41.35 O ATOM 1071 CB VAL A 70 -0.124 14.764 -19.718 1.00 5.44 C ATOM 1072 CG1 VAL A 70 -0.842 14.722 -21.057 1.00 73.45 C ATOM 1073 CG2 VAL A 70 0.749 16.006 -19.611 1.00 24.40 C ATOM 0 H VAL A 70 -1.347 12.693 -19.062 1.00 64.23 H new ATOM 0 HA VAL A 70 -0.630 14.985 -17.632 1.00 23.35 H new ATOM 0 HB VAL A 70 0.520 13.887 -19.651 1.00 5.44 H new ATOM 0 HG11 VAL A 70 -0.110 14.756 -21.864 1.00 73.45 H new ATOM 0 HG12 VAL A 70 -1.421 13.801 -21.131 1.00 73.45 H new ATOM 0 HG13 VAL A 70 -1.511 15.579 -21.138 1.00 73.45 H new ATOM 0 HG21 VAL A 70 1.459 16.024 -20.438 1.00 24.40 H new ATOM 0 HG22 VAL A 70 0.122 16.896 -19.652 1.00 24.40 H new ATOM 0 HG23 VAL A 70 1.292 15.989 -18.666 1.00 24.40 H new ATOM 1083 N GLY A 71 -3.408 15.212 -19.249 1.00 10.11 N ATOM 1084 CA GLY A 71 -4.537 16.077 -19.538 1.00 1.14 C ATOM 1085 C GLY A 71 -4.944 16.917 -18.343 1.00 74.41 C ATOM 1086 O GLY A 71 -5.372 18.060 -18.498 1.00 32.14 O ATOM 0 H GLY A 71 -3.582 14.217 -19.392 1.00 10.11 H new ATOM 0 HA2 GLY A 71 -4.284 16.733 -20.371 1.00 1.14 H new ATOM 0 HA3 GLY A 71 -5.384 15.470 -19.857 1.00 1.14 H new ATOM 1090 N GLU A 72 -4.813 16.347 -17.149 1.00 40.20 N ATOM 1091 CA GLU A 72 -5.174 17.051 -15.924 1.00 4.10 C ATOM 1092 C GLU A 72 -4.286 18.275 -15.719 1.00 12.44 C ATOM 1093 O GLU A 72 -4.758 19.412 -15.762 1.00 20.14 O ATOM 1094 CB GLU A 72 -5.058 16.116 -14.719 1.00 24.52 C ATOM 1095 CG GLU A 72 -6.322 16.045 -13.879 1.00 1.21 C ATOM 1096 CD GLU A 72 -6.409 14.771 -13.061 1.00 40.13 C ATOM 1097 OE1 GLU A 72 -6.185 13.683 -13.631 1.00 44.13 O ATOM 1098 OE2 GLU A 72 -6.701 14.863 -11.851 1.00 35.25 O ATOM 0 H GLU A 72 -4.460 15.401 -17.004 1.00 40.20 H new ATOM 0 HA GLU A 72 -6.208 17.384 -16.018 1.00 4.10 H new ATOM 0 HB2 GLU A 72 -4.808 15.115 -15.070 1.00 24.52 H new ATOM 0 HB3 GLU A 72 -4.232 16.449 -14.090 1.00 24.52 H new ATOM 0 HG2 GLU A 72 -6.358 16.905 -13.210 1.00 1.21 H new ATOM 0 HG3 GLU A 72 -7.192 16.113 -14.532 1.00 1.21 H new ATOM 1105 N TYR A 73 -2.999 18.035 -15.495 1.00 32.32 N ATOM 1106 CA TYR A 73 -2.046 19.116 -15.279 1.00 45.44 C ATOM 1107 C TYR A 73 -2.047 20.086 -16.457 1.00 10.50 C ATOM 1108 O TYR A 73 -2.039 21.305 -16.274 1.00 22.54 O ATOM 1109 CB TYR A 73 -0.639 18.551 -15.072 1.00 15.12 C ATOM 1110 CG TYR A 73 -0.554 17.536 -13.955 1.00 20.41 C ATOM 1111 CD1 TYR A 73 -1.040 17.827 -12.686 1.00 42.01 C ATOM 1112 CD2 TYR A 73 0.013 16.285 -14.168 1.00 3.32 C ATOM 1113 CE1 TYR A 73 -0.963 16.903 -11.662 1.00 73.32 C ATOM 1114 CE2 TYR A 73 0.093 15.354 -13.150 1.00 54.33 C ATOM 1115 CZ TYR A 73 -0.397 15.668 -11.899 1.00 62.34 C ATOM 1116 OH TYR A 73 -0.318 14.744 -10.883 1.00 33.52 O ATOM 0 H TYR A 73 -2.592 17.101 -15.458 1.00 32.32 H new ATOM 0 HA TYR A 73 -2.348 19.659 -14.383 1.00 45.44 H new ATOM 0 HB2 TYR A 73 -0.302 18.088 -15.999 1.00 15.12 H new ATOM 0 HB3 TYR A 73 0.046 19.372 -14.859 1.00 15.12 H new ATOM 0 HD1 TYR A 73 -1.486 18.792 -12.497 1.00 42.01 H new ATOM 0 HD2 TYR A 73 0.398 16.036 -15.146 1.00 3.32 H new ATOM 0 HE1 TYR A 73 -1.344 17.146 -10.681 1.00 73.32 H new ATOM 0 HE2 TYR A 73 0.536 14.386 -13.333 1.00 54.33 H new ATOM 0 HH TYR A 73 0.107 13.926 -11.217 1.00 33.52 H new ATOM 1126 N LEU A 74 -2.058 19.538 -17.667 1.00 32.23 N ATOM 1127 CA LEU A 74 -2.062 20.353 -18.877 1.00 23.14 C ATOM 1128 C LEU A 74 -3.238 21.324 -18.876 1.00 31.15 C ATOM 1129 O LEU A 74 -3.095 22.488 -19.248 1.00 2.15 O ATOM 1130 CB LEU A 74 -2.124 19.460 -20.117 1.00 30.32 C ATOM 1131 CG LEU A 74 -2.241 20.182 -21.459 1.00 54.42 C ATOM 1132 CD1 LEU A 74 -1.193 21.279 -21.569 1.00 30.33 C ATOM 1133 CD2 LEU A 74 -2.106 19.196 -22.610 1.00 31.33 C ATOM 0 H LEU A 74 -2.064 18.532 -17.836 1.00 32.23 H new ATOM 0 HA LEU A 74 -1.138 20.931 -18.899 1.00 23.14 H new ATOM 0 HB2 LEU A 74 -1.228 18.839 -20.138 1.00 30.32 H new ATOM 0 HB3 LEU A 74 -2.976 18.788 -20.014 1.00 30.32 H new ATOM 0 HG LEU A 74 -3.227 20.643 -21.516 1.00 54.42 H new ATOM 0 HD11 LEU A 74 -1.292 21.782 -22.531 1.00 30.33 H new ATOM 0 HD12 LEU A 74 -1.337 22.001 -20.766 1.00 30.33 H new ATOM 0 HD13 LEU A 74 -0.198 20.841 -21.489 1.00 30.33 H new ATOM 0 HD21 LEU A 74 -2.192 19.728 -23.557 1.00 31.33 H new ATOM 0 HD22 LEU A 74 -1.134 18.705 -22.557 1.00 31.33 H new ATOM 0 HD23 LEU A 74 -2.895 18.447 -22.542 1.00 31.33 H new ATOM 1145 N MET A 75 -4.400 20.837 -18.453 1.00 32.11 N ATOM 1146 CA MET A 75 -5.601 21.663 -18.400 1.00 43.12 C ATOM 1147 C MET A 75 -5.352 22.932 -17.591 1.00 52.21 C ATOM 1148 O MET A 75 -5.678 24.035 -18.031 1.00 73.34 O ATOM 1149 CB MET A 75 -6.762 20.875 -17.791 1.00 22.03 C ATOM 1150 CG MET A 75 -8.070 21.648 -17.758 1.00 52.01 C ATOM 1151 SD MET A 75 -9.501 20.581 -17.504 1.00 73.14 S ATOM 1152 CE MET A 75 -9.653 20.636 -15.721 1.00 25.25 C ATOM 0 H MET A 75 -4.536 19.875 -18.142 1.00 32.11 H new ATOM 0 HA MET A 75 -5.861 21.948 -19.419 1.00 43.12 H new ATOM 0 HB2 MET A 75 -6.906 19.957 -18.361 1.00 22.03 H new ATOM 0 HB3 MET A 75 -6.498 20.581 -16.775 1.00 22.03 H new ATOM 0 HG2 MET A 75 -8.029 22.390 -16.961 1.00 52.01 H new ATOM 0 HG3 MET A 75 -8.189 22.193 -18.695 1.00 52.01 H new ATOM 0 HE1 MET A 75 -10.498 20.022 -15.409 1.00 25.25 H new ATOM 0 HE2 MET A 75 -8.739 20.254 -15.266 1.00 25.25 H new ATOM 0 HE3 MET A 75 -9.815 21.665 -15.401 1.00 25.25 H new ATOM 1162 N PHE A 76 -4.773 22.769 -16.406 1.00 53.21 N ATOM 1163 CA PHE A 76 -4.482 23.902 -15.535 1.00 54.01 C ATOM 1164 C PHE A 76 -3.310 24.716 -16.075 1.00 20.03 C ATOM 1165 O PHE A 76 -3.251 25.933 -15.899 1.00 45.50 O ATOM 1166 CB PHE A 76 -4.171 23.416 -14.118 1.00 13.21 C ATOM 1167 CG PHE A 76 -5.222 22.503 -13.553 1.00 2.41 C ATOM 1168 CD1 PHE A 76 -6.547 22.903 -13.494 1.00 51.41 C ATOM 1169 CD2 PHE A 76 -4.884 21.246 -13.080 1.00 61.41 C ATOM 1170 CE1 PHE A 76 -7.516 22.066 -12.975 1.00 74.32 C ATOM 1171 CE2 PHE A 76 -5.849 20.404 -12.561 1.00 22.45 C ATOM 1172 CZ PHE A 76 -7.166 20.815 -12.507 1.00 34.52 C ATOM 0 H PHE A 76 -4.496 21.863 -16.027 1.00 53.21 H new ATOM 0 HA PHE A 76 -5.363 24.543 -15.506 1.00 54.01 H new ATOM 0 HB2 PHE A 76 -3.213 22.895 -14.123 1.00 13.21 H new ATOM 0 HB3 PHE A 76 -4.061 24.280 -13.462 1.00 13.21 H new ATOM 0 HD1 PHE A 76 -6.826 23.881 -13.858 1.00 51.41 H new ATOM 0 HD2 PHE A 76 -3.855 20.920 -13.117 1.00 61.41 H new ATOM 0 HE1 PHE A 76 -8.546 22.390 -12.935 1.00 74.32 H new ATOM 0 HE2 PHE A 76 -5.573 19.425 -12.198 1.00 22.45 H new ATOM 0 HZ PHE A 76 -7.921 20.159 -12.099 1.00 34.52 H new ATOM 1182 N THR A 77 -2.377 24.035 -16.733 1.00 32.53 N ATOM 1183 CA THR A 77 -1.205 24.692 -17.297 1.00 12.23 C ATOM 1184 C THR A 77 -1.604 25.713 -18.356 1.00 52.11 C ATOM 1185 O THR A 77 -1.252 26.888 -18.263 1.00 5.33 O ATOM 1186 CB THR A 77 -0.235 23.672 -17.922 1.00 54.15 C ATOM 1187 OG1 THR A 77 0.451 22.953 -16.892 1.00 62.00 O ATOM 1188 CG2 THR A 77 0.775 24.368 -18.822 1.00 61.31 C ATOM 0 H THR A 77 -2.411 23.027 -16.888 1.00 32.53 H new ATOM 0 HA THR A 77 -0.703 25.202 -16.475 1.00 12.23 H new ATOM 0 HB THR A 77 -0.815 22.974 -18.526 1.00 54.15 H new ATOM 0 HG1 THR A 77 -0.154 22.291 -16.496 1.00 62.00 H new ATOM 0 HG21 THR A 77 1.450 23.628 -19.252 1.00 61.31 H new ATOM 0 HG22 THR A 77 0.250 24.890 -19.622 1.00 61.31 H new ATOM 0 HG23 THR A 77 1.350 25.086 -18.237 1.00 61.31 H new ATOM 1196 N MET A 78 -2.342 25.257 -19.363 1.00 31.32 N ATOM 1197 CA MET A 78 -2.791 26.132 -20.439 1.00 45.24 C ATOM 1198 C MET A 78 -3.558 27.328 -19.884 1.00 31.41 C ATOM 1199 O MET A 78 -3.384 28.457 -20.342 1.00 11.01 O ATOM 1200 CB MET A 78 -3.671 25.358 -21.422 1.00 70.11 C ATOM 1201 CG MET A 78 -2.967 25.008 -22.723 1.00 52.12 C ATOM 1202 SD MET A 78 -2.715 26.444 -23.784 1.00 43.01 S ATOM 1203 CE MET A 78 -0.962 26.308 -24.127 1.00 70.51 C ATOM 0 H MET A 78 -2.642 24.286 -19.456 1.00 31.32 H new ATOM 0 HA MET A 78 -1.910 26.501 -20.964 1.00 45.24 H new ATOM 0 HB2 MET A 78 -4.013 24.439 -20.945 1.00 70.11 H new ATOM 0 HB3 MET A 78 -4.558 25.950 -21.646 1.00 70.11 H new ATOM 0 HG2 MET A 78 -2.002 24.553 -22.499 1.00 52.12 H new ATOM 0 HG3 MET A 78 -3.554 24.263 -23.260 1.00 52.12 H new ATOM 0 HE1 MET A 78 -0.459 27.224 -23.818 1.00 70.51 H new ATOM 0 HE2 MET A 78 -0.548 25.463 -23.577 1.00 70.51 H new ATOM 0 HE3 MET A 78 -0.811 26.154 -25.195 1.00 70.51 H new ATOM 1213 N VAL A 79 -4.408 27.072 -18.894 1.00 72.45 N ATOM 1214 CA VAL A 79 -5.202 28.127 -18.276 1.00 61.22 C ATOM 1215 C VAL A 79 -4.315 29.264 -17.783 1.00 42.40 C ATOM 1216 O VAL A 79 -4.436 30.403 -18.237 1.00 72.13 O ATOM 1217 CB VAL A 79 -6.030 27.587 -17.095 1.00 11.31 C ATOM 1218 CG1 VAL A 79 -6.382 28.711 -16.132 1.00 74.12 C ATOM 1219 CG2 VAL A 79 -7.286 26.892 -17.599 1.00 10.42 C ATOM 0 H VAL A 79 -4.564 26.143 -18.503 1.00 72.45 H new ATOM 0 HA VAL A 79 -5.879 28.504 -19.042 1.00 61.22 H new ATOM 0 HB VAL A 79 -5.429 26.855 -16.556 1.00 11.31 H new ATOM 0 HG11 VAL A 79 -6.967 28.311 -15.304 1.00 74.12 H new ATOM 0 HG12 VAL A 79 -5.467 29.160 -15.746 1.00 74.12 H new ATOM 0 HG13 VAL A 79 -6.965 29.469 -16.655 1.00 74.12 H new ATOM 0 HG21 VAL A 79 -7.859 26.517 -16.751 1.00 10.42 H new ATOM 0 HG22 VAL A 79 -7.893 27.601 -18.162 1.00 10.42 H new ATOM 0 HG23 VAL A 79 -7.007 26.060 -18.245 1.00 10.42 H new ATOM 1229 N LEU A 80 -3.422 28.949 -16.851 1.00 40.51 N ATOM 1230 CA LEU A 80 -2.512 29.945 -16.295 1.00 54.44 C ATOM 1231 C LEU A 80 -1.645 30.561 -17.389 1.00 11.03 C ATOM 1232 O LEU A 80 -1.428 31.773 -17.415 1.00 62.51 O ATOM 1233 CB LEU A 80 -1.626 29.312 -15.221 1.00 50.34 C ATOM 1234 CG LEU A 80 -0.774 30.279 -14.399 1.00 4.31 C ATOM 1235 CD1 LEU A 80 -1.243 30.307 -12.953 1.00 23.35 C ATOM 1236 CD2 LEU A 80 0.696 29.894 -14.478 1.00 24.35 C ATOM 0 H LEU A 80 -3.309 28.012 -16.464 1.00 40.51 H new ATOM 0 HA LEU A 80 -3.110 30.736 -15.843 1.00 54.44 H new ATOM 0 HB2 LEU A 80 -2.263 28.750 -14.538 1.00 50.34 H new ATOM 0 HB3 LEU A 80 -0.962 28.594 -15.703 1.00 50.34 H new ATOM 0 HG LEU A 80 -0.890 31.279 -14.816 1.00 4.31 H new ATOM 0 HD11 LEU A 80 -0.625 31.001 -12.383 1.00 23.35 H new ATOM 0 HD12 LEU A 80 -2.283 30.632 -12.914 1.00 23.35 H new ATOM 0 HD13 LEU A 80 -1.158 29.309 -12.524 1.00 23.35 H new ATOM 0 HD21 LEU A 80 1.288 30.593 -13.887 1.00 24.35 H new ATOM 0 HD22 LEU A 80 0.829 28.885 -14.087 1.00 24.35 H new ATOM 0 HD23 LEU A 80 1.026 29.927 -15.516 1.00 24.35 H new ATOM 1248 N VAL A 81 -1.153 29.718 -18.291 1.00 51.35 N ATOM 1249 CA VAL A 81 -0.312 30.180 -19.390 1.00 33.34 C ATOM 1250 C VAL A 81 -1.022 31.248 -20.214 1.00 71.41 C ATOM 1251 O VAL A 81 -0.430 32.265 -20.576 1.00 1.14 O ATOM 1252 CB VAL A 81 0.091 29.016 -20.315 1.00 10.12 C ATOM 1253 CG1 VAL A 81 0.523 29.541 -21.675 1.00 64.14 C ATOM 1254 CG2 VAL A 81 1.197 28.188 -19.678 1.00 35.04 C ATOM 0 H VAL A 81 -1.322 28.712 -18.283 1.00 51.35 H new ATOM 0 HA VAL A 81 0.586 30.608 -18.944 1.00 33.34 H new ATOM 0 HB VAL A 81 -0.776 28.372 -20.459 1.00 10.12 H new ATOM 0 HG11 VAL A 81 0.804 28.705 -22.315 1.00 64.14 H new ATOM 0 HG12 VAL A 81 -0.302 30.087 -22.133 1.00 64.14 H new ATOM 0 HG13 VAL A 81 1.377 30.208 -21.553 1.00 64.14 H new ATOM 0 HG21 VAL A 81 1.469 27.370 -20.345 1.00 35.04 H new ATOM 0 HG22 VAL A 81 2.069 28.819 -19.502 1.00 35.04 H new ATOM 0 HG23 VAL A 81 0.847 27.781 -18.729 1.00 35.04 H new ATOM 1264 N THR A 82 -2.297 31.010 -20.509 1.00 45.00 N ATOM 1265 CA THR A 82 -3.088 31.951 -21.292 1.00 31.33 C ATOM 1266 C THR A 82 -3.131 33.321 -20.625 1.00 41.03 C ATOM 1267 O THR A 82 -2.992 34.349 -21.288 1.00 3.31 O ATOM 1268 CB THR A 82 -4.529 31.444 -21.490 1.00 30.41 C ATOM 1269 OG1 THR A 82 -4.571 30.494 -22.561 1.00 54.42 O ATOM 1270 CG2 THR A 82 -5.472 32.598 -21.791 1.00 54.31 C ATOM 0 H THR A 82 -2.803 30.174 -20.217 1.00 45.00 H new ATOM 0 HA THR A 82 -2.604 32.038 -22.265 1.00 31.33 H new ATOM 0 HB THR A 82 -4.852 30.964 -20.566 1.00 30.41 H new ATOM 0 HG1 THR A 82 -5.490 30.175 -22.680 1.00 54.42 H new ATOM 0 HG21 THR A 82 -6.484 32.215 -21.927 1.00 54.31 H new ATOM 0 HG22 THR A 82 -5.460 33.304 -20.961 1.00 54.31 H new ATOM 0 HG23 THR A 82 -5.150 33.103 -22.702 1.00 54.31 H new ATOM 1278 N PHE A 83 -3.324 33.329 -19.310 1.00 64.45 N ATOM 1279 CA PHE A 83 -3.385 34.574 -18.554 1.00 20.20 C ATOM 1280 C PHE A 83 -2.041 35.296 -18.585 1.00 30.32 C ATOM 1281 O PHE A 83 -1.980 36.522 -18.491 1.00 74.44 O ATOM 1282 CB PHE A 83 -3.794 34.296 -17.106 1.00 54.01 C ATOM 1283 CG PHE A 83 -5.247 34.563 -16.832 1.00 42.21 C ATOM 1284 CD1 PHE A 83 -6.207 33.605 -17.116 1.00 43.31 C ATOM 1285 CD2 PHE A 83 -5.652 35.773 -16.291 1.00 32.41 C ATOM 1286 CE1 PHE A 83 -7.544 33.848 -16.865 1.00 31.32 C ATOM 1287 CE2 PHE A 83 -6.988 36.021 -16.037 1.00 60.50 C ATOM 1288 CZ PHE A 83 -7.935 35.057 -16.326 1.00 12.55 C ATOM 0 H PHE A 83 -3.441 32.487 -18.746 1.00 64.45 H new ATOM 0 HA PHE A 83 -4.133 35.216 -19.019 1.00 20.20 H new ATOM 0 HB2 PHE A 83 -3.573 33.256 -16.868 1.00 54.01 H new ATOM 0 HB3 PHE A 83 -3.188 34.911 -16.441 1.00 54.01 H new ATOM 0 HD1 PHE A 83 -5.907 32.657 -17.538 1.00 43.31 H new ATOM 0 HD2 PHE A 83 -4.916 36.530 -16.065 1.00 32.41 H new ATOM 0 HE1 PHE A 83 -8.282 33.093 -17.090 1.00 31.32 H new ATOM 0 HE2 PHE A 83 -7.291 36.967 -15.613 1.00 60.50 H new ATOM 0 HZ PHE A 83 -8.980 35.249 -16.130 1.00 12.55 H new ATOM 1298 N SER A 84 -0.965 34.526 -18.716 1.00 34.13 N ATOM 1299 CA SER A 84 0.379 35.090 -18.754 1.00 54.44 C ATOM 1300 C SER A 84 0.634 35.794 -20.084 1.00 24.41 C ATOM 1301 O SER A 84 1.098 36.934 -20.116 1.00 64.21 O ATOM 1302 CB SER A 84 1.422 33.993 -18.536 1.00 10.12 C ATOM 1303 OG SER A 84 0.941 33.002 -17.645 1.00 75.31 O ATOM 0 H SER A 84 -0.998 33.510 -18.798 1.00 34.13 H new ATOM 0 HA SER A 84 0.462 35.824 -17.952 1.00 54.44 H new ATOM 0 HB2 SER A 84 1.677 33.535 -19.491 1.00 10.12 H new ATOM 0 HB3 SER A 84 2.337 34.431 -18.138 1.00 10.12 H new ATOM 0 HG SER A 84 0.242 32.476 -18.087 1.00 75.31 H new ATOM 1309 N ILE A 85 0.328 35.105 -21.178 1.00 44.35 N ATOM 1310 CA ILE A 85 0.524 35.663 -22.511 1.00 13.42 C ATOM 1311 C ILE A 85 -0.365 36.882 -22.732 1.00 14.41 C ATOM 1312 O ILE A 85 0.037 37.848 -23.381 1.00 74.13 O ATOM 1313 CB ILE A 85 0.229 34.622 -23.606 1.00 62.32 C ATOM 1314 CG1 ILE A 85 1.060 33.358 -23.375 1.00 71.32 C ATOM 1315 CG2 ILE A 85 0.514 35.205 -24.982 1.00 52.02 C ATOM 1316 CD1 ILE A 85 2.552 33.590 -23.469 1.00 32.31 C ATOM 0 H ILE A 85 -0.056 34.160 -21.168 1.00 44.35 H new ATOM 0 HA ILE A 85 1.570 35.962 -22.578 1.00 13.42 H new ATOM 0 HB ILE A 85 -0.827 34.355 -23.558 1.00 62.32 H new ATOM 0 HG12 ILE A 85 0.825 32.953 -22.391 1.00 71.32 H new ATOM 0 HG13 ILE A 85 0.771 32.604 -24.107 1.00 71.32 H new ATOM 0 HG21 ILE A 85 0.301 34.457 -25.745 1.00 52.02 H new ATOM 0 HG22 ILE A 85 -0.116 36.079 -25.144 1.00 52.02 H new ATOM 0 HG23 ILE A 85 1.562 35.497 -25.043 1.00 52.02 H new ATOM 0 HD11 ILE A 85 3.078 32.651 -23.295 1.00 32.31 H new ATOM 0 HD12 ILE A 85 2.800 33.966 -24.462 1.00 32.31 H new ATOM 0 HD13 ILE A 85 2.855 34.320 -22.719 1.00 32.31 H new ATOM 1328 N VAL A 86 -1.576 36.832 -22.186 1.00 32.13 N ATOM 1329 CA VAL A 86 -2.522 37.933 -22.320 1.00 52.14 C ATOM 1330 C VAL A 86 -1.939 39.229 -21.770 1.00 4.41 C ATOM 1331 O VAL A 86 -1.889 40.246 -22.464 1.00 32.24 O ATOM 1332 CB VAL A 86 -3.845 37.629 -21.593 1.00 32.33 C ATOM 1333 CG1 VAL A 86 -4.571 38.919 -21.242 1.00 71.34 C ATOM 1334 CG2 VAL A 86 -4.726 36.726 -22.444 1.00 5.11 C ATOM 0 H VAL A 86 -1.925 36.040 -21.646 1.00 32.13 H new ATOM 0 HA VAL A 86 -2.721 38.051 -23.385 1.00 52.14 H new ATOM 0 HB VAL A 86 -3.617 37.105 -20.665 1.00 32.33 H new ATOM 0 HG11 VAL A 86 -5.503 38.684 -20.729 1.00 71.34 H new ATOM 0 HG12 VAL A 86 -3.941 39.525 -20.591 1.00 71.34 H new ATOM 0 HG13 VAL A 86 -4.789 39.474 -22.155 1.00 71.34 H new ATOM 0 HG21 VAL A 86 -5.657 36.522 -21.914 1.00 5.11 H new ATOM 0 HG22 VAL A 86 -4.948 37.220 -23.390 1.00 5.11 H new ATOM 0 HG23 VAL A 86 -4.206 35.788 -22.638 1.00 5.11 H new ATOM 1344 N THR A 87 -1.496 39.188 -20.517 1.00 21.41 N ATOM 1345 CA THR A 87 -0.916 40.359 -19.872 1.00 22.31 C ATOM 1346 C THR A 87 0.400 40.755 -20.532 1.00 20.41 C ATOM 1347 O THR A 87 0.687 41.939 -20.704 1.00 43.11 O ATOM 1348 CB THR A 87 -0.670 40.110 -18.372 1.00 20.32 C ATOM 1349 OG1 THR A 87 -1.897 39.750 -17.727 1.00 71.03 O ATOM 1350 CG2 THR A 87 -0.086 41.347 -17.707 1.00 24.34 C ATOM 0 H THR A 87 -1.528 38.355 -19.929 1.00 21.41 H new ATOM 0 HA THR A 87 -1.635 41.171 -19.985 1.00 22.31 H new ATOM 0 HB THR A 87 0.044 39.293 -18.275 1.00 20.32 H new ATOM 0 HG1 THR A 87 -2.063 38.792 -17.852 1.00 71.03 H new ATOM 0 HG21 THR A 87 0.079 41.147 -16.648 1.00 24.34 H new ATOM 0 HG22 THR A 87 0.862 41.601 -18.181 1.00 24.34 H new ATOM 0 HG23 THR A 87 -0.780 42.180 -17.815 1.00 24.34 H new ATOM 1358 N SER A 88 1.196 39.756 -20.900 1.00 60.14 N ATOM 1359 CA SER A 88 2.484 40.001 -21.539 1.00 73.44 C ATOM 1360 C SER A 88 2.308 40.804 -22.824 1.00 44.24 C ATOM 1361 O SER A 88 3.055 41.747 -23.087 1.00 51.24 O ATOM 1362 CB SER A 88 3.185 38.676 -21.845 1.00 24.13 C ATOM 1363 OG SER A 88 3.823 38.159 -20.690 1.00 21.43 O ATOM 0 H SER A 88 0.972 38.770 -20.767 1.00 60.14 H new ATOM 0 HA SER A 88 3.100 40.580 -20.850 1.00 73.44 H new ATOM 0 HB2 SER A 88 2.458 37.954 -22.217 1.00 24.13 H new ATOM 0 HB3 SER A 88 3.921 38.824 -22.635 1.00 24.13 H new ATOM 0 HG SER A 88 3.185 37.619 -20.178 1.00 21.43 H new ATOM 1369 N VAL A 89 1.316 40.423 -23.622 1.00 52.53 N ATOM 1370 CA VAL A 89 1.040 41.108 -24.880 1.00 2.12 C ATOM 1371 C VAL A 89 0.470 42.500 -24.634 1.00 0.40 C ATOM 1372 O VAL A 89 0.669 43.414 -25.435 1.00 43.33 O ATOM 1373 CB VAL A 89 0.053 40.307 -25.750 1.00 43.51 C ATOM 1374 CG1 VAL A 89 -0.329 41.100 -26.991 1.00 12.13 C ATOM 1375 CG2 VAL A 89 0.650 38.961 -26.131 1.00 4.13 C ATOM 0 H VAL A 89 0.690 39.644 -23.420 1.00 52.53 H new ATOM 0 HA VAL A 89 1.990 41.196 -25.408 1.00 2.12 H new ATOM 0 HB VAL A 89 -0.852 40.126 -25.170 1.00 43.51 H new ATOM 0 HG11 VAL A 89 -1.027 40.519 -27.594 1.00 12.13 H new ATOM 0 HG12 VAL A 89 -0.800 42.037 -26.693 1.00 12.13 H new ATOM 0 HG13 VAL A 89 0.566 41.313 -27.576 1.00 12.13 H new ATOM 0 HG21 VAL A 89 -0.061 38.409 -26.745 1.00 4.13 H new ATOM 0 HG22 VAL A 89 1.571 39.117 -26.693 1.00 4.13 H new ATOM 0 HG23 VAL A 89 0.869 38.391 -25.228 1.00 4.13 H new ATOM 1385 N CYS A 90 -0.239 42.655 -23.522 1.00 12.24 N ATOM 1386 CA CYS A 90 -0.839 43.937 -23.170 1.00 14.24 C ATOM 1387 C CYS A 90 0.213 44.900 -22.629 1.00 51.14 C ATOM 1388 O CYS A 90 0.095 46.116 -22.783 1.00 74.22 O ATOM 1389 CB CYS A 90 -1.946 43.738 -22.133 1.00 51.30 C ATOM 1390 SG CYS A 90 -3.591 44.222 -22.707 1.00 40.13 S ATOM 0 H CYS A 90 -0.413 41.909 -22.848 1.00 12.24 H new ATOM 0 HA CYS A 90 -1.270 44.368 -24.073 1.00 14.24 H new ATOM 0 HB2 CYS A 90 -1.970 42.689 -21.839 1.00 51.30 H new ATOM 0 HB3 CYS A 90 -1.701 44.313 -21.240 1.00 51.30 H new ATOM 0 HG CYS A 90 -4.459 44.015 -21.762 1.00 40.13 H new ATOM 1396 N VAL A 91 1.242 44.348 -21.994 1.00 41.33 N ATOM 1397 CA VAL A 91 2.315 45.158 -21.430 1.00 65.13 C ATOM 1398 C VAL A 91 3.312 45.576 -22.506 1.00 14.21 C ATOM 1399 O VAL A 91 3.840 46.689 -22.480 1.00 33.22 O ATOM 1400 CB VAL A 91 3.065 44.400 -20.319 1.00 3.14 C ATOM 1401 CG1 VAL A 91 4.337 45.140 -19.932 1.00 32.22 C ATOM 1402 CG2 VAL A 91 2.165 44.202 -19.109 1.00 12.24 C ATOM 0 H VAL A 91 1.355 43.344 -21.857 1.00 41.33 H new ATOM 0 HA VAL A 91 1.850 46.047 -21.004 1.00 65.13 H new ATOM 0 HB VAL A 91 3.346 43.418 -20.699 1.00 3.14 H new ATOM 0 HG11 VAL A 91 4.853 44.589 -19.146 1.00 32.22 H new ATOM 0 HG12 VAL A 91 4.987 45.225 -20.802 1.00 32.22 H new ATOM 0 HG13 VAL A 91 4.083 46.136 -19.570 1.00 32.22 H new ATOM 0 HG21 VAL A 91 2.711 43.665 -18.334 1.00 12.24 H new ATOM 0 HG22 VAL A 91 1.852 45.173 -18.726 1.00 12.24 H new ATOM 0 HG23 VAL A 91 1.286 43.626 -19.399 1.00 12.24 H new ATOM 1412 N LEU A 92 3.564 44.678 -23.452 1.00 2.33 N ATOM 1413 CA LEU A 92 4.497 44.954 -24.539 1.00 22.12 C ATOM 1414 C LEU A 92 3.973 46.070 -25.437 1.00 34.40 C ATOM 1415 O LEU A 92 4.725 46.665 -26.207 1.00 12.21 O ATOM 1416 CB LEU A 92 4.737 43.689 -25.365 1.00 33.23 C ATOM 1417 CG LEU A 92 5.876 43.757 -26.382 1.00 2.10 C ATOM 1418 CD1 LEU A 92 7.062 42.929 -25.912 1.00 10.13 C ATOM 1419 CD2 LEU A 92 5.401 43.284 -27.748 1.00 31.42 C ATOM 0 H LEU A 92 3.136 43.753 -23.488 1.00 2.33 H new ATOM 0 HA LEU A 92 5.441 45.279 -24.101 1.00 22.12 H new ATOM 0 HB2 LEU A 92 4.937 42.865 -24.680 1.00 33.23 H new ATOM 0 HB3 LEU A 92 3.817 43.446 -25.896 1.00 33.23 H new ATOM 0 HG LEU A 92 6.196 44.795 -26.470 1.00 2.10 H new ATOM 0 HD11 LEU A 92 7.863 42.990 -26.649 1.00 10.13 H new ATOM 0 HD12 LEU A 92 7.418 43.314 -24.956 1.00 10.13 H new ATOM 0 HD13 LEU A 92 6.756 41.890 -25.793 1.00 10.13 H new ATOM 0 HD21 LEU A 92 6.225 43.339 -28.459 1.00 31.42 H new ATOM 0 HD22 LEU A 92 5.053 42.254 -27.675 1.00 31.42 H new ATOM 0 HD23 LEU A 92 4.584 43.920 -28.089 1.00 31.42 H new ATOM 1632 N GLY A 108 1.806 50.723 -9.558 1.00 51.34 N ATOM 1633 CA GLY A 108 1.073 49.740 -8.783 1.00 73.55 C ATOM 1634 C GLY A 108 0.491 48.638 -9.647 1.00 21.32 C ATOM 1635 O GLY A 108 0.474 47.472 -9.249 1.00 53.40 O ATOM 0 HA2 GLY A 108 1.736 49.301 -8.038 1.00 73.55 H new ATOM 0 HA3 GLY A 108 0.268 50.236 -8.241 1.00 73.55 H new ATOM 1639 N ILE A 109 0.012 49.006 -10.830 1.00 64.03 N ATOM 1640 CA ILE A 109 -0.573 48.040 -11.751 1.00 72.32 C ATOM 1641 C ILE A 109 0.359 46.853 -11.969 1.00 21.33 C ATOM 1642 O ILE A 109 -0.090 45.715 -12.111 1.00 12.32 O ATOM 1643 CB ILE A 109 -0.894 48.683 -13.113 1.00 64.14 C ATOM 1644 CG1 ILE A 109 -1.225 47.604 -14.146 1.00 60.31 C ATOM 1645 CG2 ILE A 109 0.276 49.534 -13.585 1.00 52.03 C ATOM 1646 CD1 ILE A 109 -0.047 47.213 -15.011 1.00 52.34 C ATOM 0 H ILE A 109 0.018 49.966 -11.173 1.00 64.03 H new ATOM 0 HA ILE A 109 -1.500 47.692 -11.295 1.00 72.32 H new ATOM 0 HB ILE A 109 -1.765 49.328 -12.998 1.00 64.14 H new ATOM 0 HG12 ILE A 109 -1.595 46.719 -13.629 1.00 60.31 H new ATOM 0 HG13 ILE A 109 -2.032 47.960 -14.786 1.00 60.31 H new ATOM 0 HG21 ILE A 109 0.035 49.982 -14.549 1.00 52.03 H new ATOM 0 HG22 ILE A 109 0.470 50.322 -12.857 1.00 52.03 H new ATOM 0 HG23 ILE A 109 1.163 48.909 -13.688 1.00 52.03 H new ATOM 0 HD11 ILE A 109 -0.355 46.444 -15.720 1.00 52.34 H new ATOM 0 HD12 ILE A 109 0.310 48.087 -15.556 1.00 52.34 H new ATOM 0 HD13 ILE A 109 0.754 46.826 -14.381 1.00 52.34 H new ATOM 1658 N ASP A 110 1.659 47.125 -11.992 1.00 0.22 N ATOM 1659 CA ASP A 110 2.656 46.079 -12.189 1.00 0.31 C ATOM 1660 C ASP A 110 2.762 45.190 -10.954 1.00 74.53 C ATOM 1661 O ASP A 110 2.568 43.976 -11.033 1.00 42.32 O ATOM 1662 CB ASP A 110 4.019 46.697 -12.505 1.00 52.45 C ATOM 1663 CG ASP A 110 4.349 46.645 -13.984 1.00 52.13 C ATOM 1664 OD1 ASP A 110 3.407 46.562 -14.800 1.00 73.42 O ATOM 1665 OD2 ASP A 110 5.549 46.688 -14.326 1.00 10.52 O ATOM 0 H ASP A 110 2.047 48.061 -11.877 1.00 0.22 H new ATOM 0 HA ASP A 110 2.340 45.464 -13.032 1.00 0.31 H new ATOM 0 HB2 ASP A 110 4.031 47.734 -12.169 1.00 52.45 H new ATOM 0 HB3 ASP A 110 4.792 46.171 -11.944 1.00 52.45 H new ATOM 1670 N ARG A 111 3.071 45.801 -9.815 1.00 75.24 N ATOM 1671 CA ARG A 111 3.204 45.064 -8.565 1.00 22.34 C ATOM 1672 C ARG A 111 1.969 44.207 -8.304 1.00 20.41 C ATOM 1673 O ARG A 111 2.066 43.113 -7.745 1.00 15.20 O ATOM 1674 CB ARG A 111 3.423 46.030 -7.399 1.00 54.32 C ATOM 1675 CG ARG A 111 4.811 45.942 -6.787 1.00 41.51 C ATOM 1676 CD ARG A 111 4.866 46.626 -5.430 1.00 11.30 C ATOM 1677 NE ARG A 111 4.842 45.665 -4.331 1.00 72.31 N ATOM 1678 CZ ARG A 111 4.505 45.980 -3.086 1.00 10.35 C ATOM 1679 NH1 ARG A 111 4.165 47.226 -2.782 1.00 63.44 N ATOM 1680 NH2 ARG A 111 4.507 45.049 -2.140 1.00 40.22 N ATOM 0 H ARG A 111 3.234 46.805 -9.732 1.00 75.24 H new ATOM 0 HA ARG A 111 4.069 44.407 -8.651 1.00 22.34 H new ATOM 0 HB2 ARG A 111 3.252 47.049 -7.746 1.00 54.32 H new ATOM 0 HB3 ARG A 111 2.681 45.828 -6.626 1.00 54.32 H new ATOM 0 HG2 ARG A 111 5.097 44.896 -6.680 1.00 41.51 H new ATOM 0 HG3 ARG A 111 5.536 46.404 -7.458 1.00 41.51 H new ATOM 0 HD2 ARG A 111 5.772 47.229 -5.365 1.00 11.30 H new ATOM 0 HD3 ARG A 111 4.021 47.308 -5.333 1.00 11.30 H new ATOM 0 HE ARG A 111 5.098 44.698 -4.531 1.00 72.31 H new ATOM 0 HH11 ARG A 111 4.162 47.945 -3.506 1.00 63.44 H new ATOM 0 HH12 ARG A 111 3.907 47.465 -1.825 1.00 63.44 H new ATOM 0 HH21 ARG A 111 4.768 44.090 -2.369 1.00 40.22 H new ATOM 0 HH22 ARG A 111 4.248 45.293 -1.184 1.00 40.22 H new ATOM 1694 N LEU A 112 0.809 44.710 -8.712 1.00 3.03 N ATOM 1695 CA LEU A 112 -0.446 43.991 -8.522 1.00 42.02 C ATOM 1696 C LEU A 112 -0.419 42.648 -9.246 1.00 2.53 C ATOM 1697 O LEU A 112 -0.566 41.595 -8.626 1.00 64.44 O ATOM 1698 CB LEU A 112 -1.619 44.832 -9.027 1.00 54.15 C ATOM 1699 CG LEU A 112 -2.929 44.691 -8.251 1.00 53.33 C ATOM 1700 CD1 LEU A 112 -2.872 45.489 -6.958 1.00 24.12 C ATOM 1701 CD2 LEU A 112 -4.106 45.141 -9.105 1.00 71.41 C ATOM 0 H LEU A 112 0.711 45.613 -9.176 1.00 3.03 H new ATOM 0 HA LEU A 112 -0.573 43.805 -7.455 1.00 42.02 H new ATOM 0 HB2 LEU A 112 -1.322 45.881 -9.011 1.00 54.15 H new ATOM 0 HB3 LEU A 112 -1.807 44.570 -10.068 1.00 54.15 H new ATOM 0 HG LEU A 112 -3.068 43.640 -8.000 1.00 53.33 H new ATOM 0 HD11 LEU A 112 -3.813 45.377 -6.419 1.00 24.12 H new ATOM 0 HD12 LEU A 112 -2.053 45.121 -6.339 1.00 24.12 H new ATOM 0 HD13 LEU A 112 -2.709 46.542 -7.187 1.00 24.12 H new ATOM 0 HD21 LEU A 112 -5.030 45.034 -8.537 1.00 71.41 H new ATOM 0 HD22 LEU A 112 -3.973 46.185 -9.387 1.00 71.41 H new ATOM 0 HD23 LEU A 112 -4.159 44.527 -10.004 1.00 71.41 H new ATOM 1713 N PHE A 113 -0.228 42.694 -10.560 1.00 53.21 N ATOM 1714 CA PHE A 113 -0.180 41.481 -11.368 1.00 54.43 C ATOM 1715 C PHE A 113 0.997 40.601 -10.959 1.00 40.32 C ATOM 1716 O PHE A 113 0.981 39.387 -11.166 1.00 40.15 O ATOM 1717 CB PHE A 113 -0.075 41.836 -12.853 1.00 2.31 C ATOM 1718 CG PHE A 113 0.799 40.897 -13.633 1.00 65.41 C ATOM 1719 CD1 PHE A 113 0.329 39.652 -14.020 1.00 24.24 C ATOM 1720 CD2 PHE A 113 2.091 41.258 -13.981 1.00 0.34 C ATOM 1721 CE1 PHE A 113 1.132 38.785 -14.737 1.00 2.12 C ATOM 1722 CE2 PHE A 113 2.898 40.396 -14.698 1.00 64.12 C ATOM 1723 CZ PHE A 113 2.418 39.158 -15.078 1.00 33.03 C ATOM 0 H PHE A 113 -0.104 43.558 -11.088 1.00 53.21 H new ATOM 0 HA PHE A 113 -1.102 40.925 -11.199 1.00 54.43 H new ATOM 0 HB2 PHE A 113 -1.074 41.837 -13.290 1.00 2.31 H new ATOM 0 HB3 PHE A 113 0.316 42.849 -12.950 1.00 2.31 H new ATOM 0 HD1 PHE A 113 -0.676 39.356 -13.758 1.00 24.24 H new ATOM 0 HD2 PHE A 113 2.472 42.225 -13.688 1.00 0.34 H new ATOM 0 HE1 PHE A 113 0.754 37.817 -15.031 1.00 2.12 H new ATOM 0 HE2 PHE A 113 3.903 40.690 -14.961 1.00 64.12 H new ATOM 0 HZ PHE A 113 3.046 38.483 -15.640 1.00 33.03 H new ATOM 1733 N LEU A 114 2.018 41.222 -10.378 1.00 35.23 N ATOM 1734 CA LEU A 114 3.205 40.496 -9.939 1.00 52.32 C ATOM 1735 C LEU A 114 2.878 39.574 -8.769 1.00 1.21 C ATOM 1736 O LEU A 114 3.296 38.416 -8.743 1.00 54.41 O ATOM 1737 CB LEU A 114 4.307 41.478 -9.538 1.00 21.14 C ATOM 1738 CG LEU A 114 5.497 41.579 -10.493 1.00 31.53 C ATOM 1739 CD1 LEU A 114 5.238 42.631 -11.559 1.00 54.13 C ATOM 1740 CD2 LEU A 114 6.772 41.897 -9.725 1.00 54.20 C ATOM 0 H LEU A 114 2.048 42.226 -10.200 1.00 35.23 H new ATOM 0 HA LEU A 114 3.556 39.885 -10.771 1.00 52.32 H new ATOM 0 HB2 LEU A 114 3.864 42.469 -9.436 1.00 21.14 H new ATOM 0 HB3 LEU A 114 4.680 41.193 -8.554 1.00 21.14 H new ATOM 0 HG LEU A 114 5.625 40.616 -10.987 1.00 31.53 H new ATOM 0 HD11 LEU A 114 6.096 42.689 -12.229 1.00 54.13 H new ATOM 0 HD12 LEU A 114 4.349 42.360 -12.129 1.00 54.13 H new ATOM 0 HD13 LEU A 114 5.083 43.600 -11.084 1.00 54.13 H new ATOM 0 HD21 LEU A 114 7.608 41.965 -10.421 1.00 54.20 H new ATOM 0 HD22 LEU A 114 6.655 42.847 -9.204 1.00 54.20 H new ATOM 0 HD23 LEU A 114 6.967 41.107 -9.000 1.00 54.20 H new ATOM 1752 N TRP A 115 2.128 40.095 -7.804 1.00 63.52 N ATOM 1753 CA TRP A 115 1.743 39.317 -6.632 1.00 25.31 C ATOM 1754 C TRP A 115 0.573 38.393 -6.951 1.00 42.25 C ATOM 1755 O TRP A 115 0.554 37.234 -6.535 1.00 51.42 O ATOM 1756 CB TRP A 115 1.374 40.247 -5.476 1.00 13.52 C ATOM 1757 CG TRP A 115 1.701 39.679 -4.128 1.00 14.30 C ATOM 1758 CD1 TRP A 115 2.944 39.519 -3.586 1.00 33.13 C ATOM 1759 CD2 TRP A 115 0.770 39.195 -3.154 1.00 21.23 C ATOM 1760 NE1 TRP A 115 2.842 38.964 -2.333 1.00 30.22 N ATOM 1761 CE2 TRP A 115 1.519 38.756 -2.044 1.00 41.22 C ATOM 1762 CE3 TRP A 115 -0.623 39.091 -3.109 1.00 63.55 C ATOM 1763 CZ2 TRP A 115 0.920 38.222 -0.906 1.00 64.25 C ATOM 1764 CZ3 TRP A 115 -1.215 38.560 -1.980 1.00 35.43 C ATOM 1765 CH2 TRP A 115 -0.445 38.131 -0.890 1.00 40.45 C ATOM 0 H TRP A 115 1.775 41.052 -7.810 1.00 63.52 H new ATOM 0 HA TRP A 115 2.595 38.704 -6.338 1.00 25.31 H new ATOM 0 HB2 TRP A 115 1.899 41.194 -5.600 1.00 13.52 H new ATOM 0 HB3 TRP A 115 0.307 40.465 -5.521 1.00 13.52 H new ATOM 0 HD1 TRP A 115 3.871 39.789 -4.071 1.00 33.13 H new ATOM 0 HE1 TRP A 115 3.625 38.743 -1.718 1.00 30.22 H new ATOM 0 HE3 TRP A 115 -1.226 39.420 -3.942 1.00 63.55 H new ATOM 0 HZ2 TRP A 115 1.512 37.891 -0.066 1.00 64.25 H new ATOM 0 HZ3 TRP A 115 -2.291 38.474 -1.936 1.00 35.43 H new ATOM 0 HH2 TRP A 115 -0.939 37.721 -0.021 1.00 40.45 H new ATOM 1776 N ILE A 116 -0.400 38.913 -7.692 1.00 62.32 N ATOM 1777 CA ILE A 116 -1.573 38.133 -8.068 1.00 24.01 C ATOM 1778 C ILE A 116 -1.173 36.856 -8.800 1.00 4.51 C ATOM 1779 O ILE A 116 -1.913 35.873 -8.804 1.00 63.42 O ATOM 1780 CB ILE A 116 -2.527 38.947 -8.962 1.00 62.41 C ATOM 1781 CG1 ILE A 116 -3.981 38.574 -8.666 1.00 22.43 C ATOM 1782 CG2 ILE A 116 -2.204 38.715 -10.430 1.00 65.55 C ATOM 1783 CD1 ILE A 116 -4.944 39.730 -8.818 1.00 32.14 C ATOM 0 H ILE A 116 -0.399 39.870 -8.044 1.00 62.32 H new ATOM 0 HA ILE A 116 -2.088 37.872 -7.144 1.00 24.01 H new ATOM 0 HB ILE A 116 -2.391 40.006 -8.743 1.00 62.41 H new ATOM 0 HG12 ILE A 116 -4.284 37.769 -9.335 1.00 22.43 H new ATOM 0 HG13 ILE A 116 -4.049 38.187 -7.649 1.00 22.43 H new ATOM 0 HG21 ILE A 116 -2.887 39.297 -11.049 1.00 65.55 H new ATOM 0 HG22 ILE A 116 -1.178 39.025 -10.630 1.00 65.55 H new ATOM 0 HG23 ILE A 116 -2.315 37.656 -10.664 1.00 65.55 H new ATOM 0 HD11 ILE A 116 -5.956 39.393 -8.593 1.00 32.14 H new ATOM 0 HD12 ILE A 116 -4.666 40.528 -8.130 1.00 32.14 H new ATOM 0 HD13 ILE A 116 -4.905 40.104 -9.841 1.00 32.14 H new ATOM 1795 N PHE A 117 0.004 36.879 -9.417 1.00 61.11 N ATOM 1796 CA PHE A 117 0.504 35.723 -10.152 1.00 71.22 C ATOM 1797 C PHE A 117 1.130 34.705 -9.204 1.00 24.31 C ATOM 1798 O PHE A 117 0.699 33.553 -9.138 1.00 3.50 O ATOM 1799 CB PHE A 117 1.531 36.162 -11.198 1.00 72.10 C ATOM 1800 CG PHE A 117 1.765 35.140 -12.274 1.00 5.14 C ATOM 1801 CD1 PHE A 117 0.703 34.613 -12.990 1.00 64.40 C ATOM 1802 CD2 PHE A 117 3.048 34.707 -12.568 1.00 23.33 C ATOM 1803 CE1 PHE A 117 0.916 33.672 -13.981 1.00 12.43 C ATOM 1804 CE2 PHE A 117 3.267 33.767 -13.558 1.00 12.15 C ATOM 1805 CZ PHE A 117 2.199 33.248 -14.264 1.00 3.40 C ATOM 0 H PHE A 117 0.629 37.685 -9.423 1.00 61.11 H new ATOM 0 HA PHE A 117 -0.340 35.252 -10.657 1.00 71.22 H new ATOM 0 HB2 PHE A 117 1.195 37.091 -11.658 1.00 72.10 H new ATOM 0 HB3 PHE A 117 2.476 36.376 -10.700 1.00 72.10 H new ATOM 0 HD1 PHE A 117 -0.303 34.941 -12.772 1.00 64.40 H new ATOM 0 HD2 PHE A 117 3.886 35.108 -12.018 1.00 23.33 H new ATOM 0 HE1 PHE A 117 0.080 33.269 -14.533 1.00 12.43 H new ATOM 0 HE2 PHE A 117 4.272 33.439 -13.779 1.00 12.15 H new ATOM 0 HZ PHE A 117 2.367 32.512 -15.036 1.00 3.40 H new ATOM 1815 N VAL A 118 2.152 35.138 -8.471 1.00 75.40 N ATOM 1816 CA VAL A 118 2.838 34.265 -7.526 1.00 2.32 C ATOM 1817 C VAL A 118 1.851 33.608 -6.568 1.00 21.12 C ATOM 1818 O VAL A 118 2.089 32.505 -6.074 1.00 50.34 O ATOM 1819 CB VAL A 118 3.890 35.040 -6.710 1.00 23.31 C ATOM 1820 CG1 VAL A 118 4.688 34.090 -5.830 1.00 5.04 C ATOM 1821 CG2 VAL A 118 4.810 35.823 -7.634 1.00 61.14 C ATOM 0 H VAL A 118 2.522 36.087 -8.514 1.00 75.40 H new ATOM 0 HA VAL A 118 3.338 33.494 -8.112 1.00 2.32 H new ATOM 0 HB VAL A 118 3.373 35.749 -6.063 1.00 23.31 H new ATOM 0 HG11 VAL A 118 5.426 34.655 -5.261 1.00 5.04 H new ATOM 0 HG12 VAL A 118 4.014 33.578 -5.143 1.00 5.04 H new ATOM 0 HG13 VAL A 118 5.196 33.355 -6.455 1.00 5.04 H new ATOM 0 HG21 VAL A 118 5.547 36.364 -7.041 1.00 61.14 H new ATOM 0 HG22 VAL A 118 5.321 35.135 -8.307 1.00 61.14 H new ATOM 0 HG23 VAL A 118 4.222 36.532 -8.217 1.00 61.14 H new ATOM 1831 N PHE A 119 0.742 34.292 -6.309 1.00 34.22 N ATOM 1832 CA PHE A 119 -0.283 33.775 -5.409 1.00 22.30 C ATOM 1833 C PHE A 119 -1.012 32.591 -6.038 1.00 54.42 C ATOM 1834 O PHE A 119 -1.050 31.499 -5.473 1.00 22.54 O ATOM 1835 CB PHE A 119 -1.284 34.876 -5.055 1.00 52.12 C ATOM 1836 CG PHE A 119 -1.938 34.685 -3.716 1.00 65.23 C ATOM 1837 CD1 PHE A 119 -1.177 34.644 -2.559 1.00 0.11 C ATOM 1838 CD2 PHE A 119 -3.312 34.545 -3.615 1.00 74.03 C ATOM 1839 CE1 PHE A 119 -1.775 34.469 -1.325 1.00 70.42 C ATOM 1840 CE2 PHE A 119 -3.916 34.370 -2.384 1.00 70.44 C ATOM 1841 CZ PHE A 119 -3.146 34.330 -1.238 1.00 54.12 C ATOM 0 H PHE A 119 0.530 35.206 -6.709 1.00 34.22 H new ATOM 0 HA PHE A 119 0.208 33.434 -4.497 1.00 22.30 H new ATOM 0 HB2 PHE A 119 -0.772 35.838 -5.066 1.00 52.12 H new ATOM 0 HB3 PHE A 119 -2.055 34.916 -5.824 1.00 52.12 H new ATOM 0 HD1 PHE A 119 -0.104 34.750 -2.622 1.00 0.11 H new ATOM 0 HD2 PHE A 119 -3.919 34.573 -4.508 1.00 74.03 H new ATOM 0 HE1 PHE A 119 -1.171 34.441 -0.430 1.00 70.42 H new ATOM 0 HE2 PHE A 119 -4.989 34.265 -2.318 1.00 70.44 H new ATOM 0 HZ PHE A 119 -3.616 34.190 -0.275 1.00 54.12 H new ATOM 1851 N VAL A 120 -1.592 32.818 -7.213 1.00 31.02 N ATOM 1852 CA VAL A 120 -2.321 31.772 -7.920 1.00 64.33 C ATOM 1853 C VAL A 120 -1.390 30.637 -8.333 1.00 42.35 C ATOM 1854 O VAL A 120 -1.822 29.497 -8.503 1.00 71.43 O ATOM 1855 CB VAL A 120 -3.024 32.326 -9.173 1.00 43.54 C ATOM 1856 CG1 VAL A 120 -2.005 32.889 -10.153 1.00 23.23 C ATOM 1857 CG2 VAL A 120 -3.869 31.246 -9.832 1.00 5.32 C ATOM 0 H VAL A 120 -1.571 33.717 -7.695 1.00 31.02 H new ATOM 0 HA VAL A 120 -3.073 31.389 -7.230 1.00 64.33 H new ATOM 0 HB VAL A 120 -3.685 33.137 -8.868 1.00 43.54 H new ATOM 0 HG11 VAL A 120 -2.521 33.276 -11.032 1.00 23.23 H new ATOM 0 HG12 VAL A 120 -1.448 33.695 -9.675 1.00 23.23 H new ATOM 0 HG13 VAL A 120 -1.316 32.100 -10.455 1.00 23.23 H new ATOM 0 HG21 VAL A 120 -4.358 31.656 -10.716 1.00 5.32 H new ATOM 0 HG22 VAL A 120 -3.231 30.412 -10.124 1.00 5.32 H new ATOM 0 HG23 VAL A 120 -4.624 30.895 -9.129 1.00 5.32 H new ATOM 1867 N CYS A 121 -0.111 30.958 -8.493 1.00 64.41 N ATOM 1868 CA CYS A 121 0.883 29.965 -8.887 1.00 72.22 C ATOM 1869 C CYS A 121 1.303 29.113 -7.694 1.00 73.41 C ATOM 1870 O CYS A 121 1.183 27.888 -7.720 1.00 33.42 O ATOM 1871 CB CYS A 121 2.107 30.651 -9.495 1.00 52.22 C ATOM 1872 SG CYS A 121 1.836 31.307 -11.158 1.00 75.23 S ATOM 0 H CYS A 121 0.262 31.897 -8.356 1.00 64.41 H new ATOM 0 HA CYS A 121 0.432 29.313 -9.635 1.00 72.22 H new ATOM 0 HB2 CYS A 121 2.416 31.466 -8.840 1.00 52.22 H new ATOM 0 HB3 CYS A 121 2.931 29.938 -9.527 1.00 52.22 H new ATOM 0 HG CYS A 121 1.288 32.483 -11.077 1.00 75.23 H new ATOM 1878 N VAL A 122 1.798 29.769 -6.649 1.00 74.05 N ATOM 1879 CA VAL A 122 2.236 29.072 -5.447 1.00 25.25 C ATOM 1880 C VAL A 122 1.092 28.282 -4.821 1.00 3.34 C ATOM 1881 O VAL A 122 1.317 27.318 -4.089 1.00 34.03 O ATOM 1882 CB VAL A 122 2.799 30.054 -4.402 1.00 43.23 C ATOM 1883 CG1 VAL A 122 1.670 30.710 -3.622 1.00 72.33 C ATOM 1884 CG2 VAL A 122 3.762 29.341 -3.465 1.00 32.12 C ATOM 0 H VAL A 122 1.905 30.783 -6.611 1.00 74.05 H new ATOM 0 HA VAL A 122 3.025 28.384 -5.751 1.00 25.25 H new ATOM 0 HB VAL A 122 3.349 30.837 -4.924 1.00 43.23 H new ATOM 0 HG11 VAL A 122 2.087 31.400 -2.889 1.00 72.33 H new ATOM 0 HG12 VAL A 122 1.024 31.257 -4.308 1.00 72.33 H new ATOM 0 HG13 VAL A 122 1.089 29.944 -3.109 1.00 72.33 H new ATOM 0 HG21 VAL A 122 4.150 30.050 -2.734 1.00 32.12 H new ATOM 0 HG22 VAL A 122 3.238 28.537 -2.948 1.00 32.12 H new ATOM 0 HG23 VAL A 122 4.589 28.925 -4.041 1.00 32.12 H new ATOM 1894 N PHE A 123 -0.136 28.697 -5.114 1.00 4.54 N ATOM 1895 CA PHE A 123 -1.316 28.029 -4.579 1.00 54.31 C ATOM 1896 C PHE A 123 -1.556 26.699 -5.287 1.00 51.24 C ATOM 1897 O PHE A 123 -1.770 25.671 -4.646 1.00 5.41 O ATOM 1898 CB PHE A 123 -2.547 28.927 -4.726 1.00 3.11 C ATOM 1899 CG PHE A 123 -3.804 28.316 -4.176 1.00 62.12 C ATOM 1900 CD1 PHE A 123 -3.901 27.990 -2.833 1.00 74.20 C ATOM 1901 CD2 PHE A 123 -4.888 28.068 -5.002 1.00 70.14 C ATOM 1902 CE1 PHE A 123 -5.057 27.427 -2.325 1.00 63.40 C ATOM 1903 CE2 PHE A 123 -6.046 27.505 -4.500 1.00 13.21 C ATOM 1904 CZ PHE A 123 -6.131 27.185 -3.159 1.00 41.21 C ATOM 0 H PHE A 123 -0.340 29.493 -5.719 1.00 4.54 H new ATOM 0 HA PHE A 123 -1.143 27.831 -3.521 1.00 54.31 H new ATOM 0 HB2 PHE A 123 -2.360 29.873 -4.218 1.00 3.11 H new ATOM 0 HB3 PHE A 123 -2.696 29.156 -5.781 1.00 3.11 H new ATOM 0 HD1 PHE A 123 -3.065 28.178 -2.176 1.00 74.20 H new ATOM 0 HD2 PHE A 123 -4.827 28.318 -6.051 1.00 70.14 H new ATOM 0 HE1 PHE A 123 -5.120 27.177 -1.276 1.00 63.40 H new ATOM 0 HE2 PHE A 123 -6.883 27.316 -5.155 1.00 13.21 H new ATOM 0 HZ PHE A 123 -7.035 26.747 -2.764 1.00 41.21 H new ATOM 1914 N GLY A 124 -1.520 26.728 -6.616 1.00 64.03 N ATOM 1915 CA GLY A 124 -1.735 25.520 -7.391 1.00 31.33 C ATOM 1916 C GLY A 124 -0.576 24.549 -7.285 1.00 21.20 C ATOM 1917 O GLY A 124 -0.776 23.337 -7.195 1.00 54.02 O ATOM 0 H GLY A 124 -1.346 27.567 -7.170 1.00 64.03 H new ATOM 0 HA2 GLY A 124 -2.647 25.031 -7.050 1.00 31.33 H new ATOM 0 HA3 GLY A 124 -1.888 25.786 -8.437 1.00 31.33 H new ATOM 1921 N THR A 125 0.643 25.081 -7.297 1.00 74.41 N ATOM 1922 CA THR A 125 1.839 24.253 -7.205 1.00 34.02 C ATOM 1923 C THR A 125 1.925 23.560 -5.850 1.00 11.54 C ATOM 1924 O THR A 125 1.945 22.332 -5.770 1.00 65.22 O ATOM 1925 CB THR A 125 3.116 25.085 -7.426 1.00 10.04 C ATOM 1926 OG1 THR A 125 3.109 26.230 -6.566 1.00 4.21 O ATOM 1927 CG2 THR A 125 3.226 25.533 -8.875 1.00 52.41 C ATOM 0 H THR A 125 0.827 26.082 -7.370 1.00 74.41 H new ATOM 0 HA THR A 125 1.764 23.501 -7.990 1.00 34.02 H new ATOM 0 HB THR A 125 3.977 24.459 -7.190 1.00 10.04 H new ATOM 0 HG1 THR A 125 2.526 26.921 -6.945 1.00 4.21 H new ATOM 0 HG21 THR A 125 4.136 26.119 -9.007 1.00 52.41 H new ATOM 0 HG22 THR A 125 3.260 24.658 -9.525 1.00 52.41 H new ATOM 0 HG23 THR A 125 2.361 26.143 -9.134 1.00 52.41 H new ATOM 1935 N ILE A 126 1.974 24.356 -4.786 1.00 64.42 N ATOM 1936 CA ILE A 126 2.056 23.818 -3.434 1.00 24.21 C ATOM 1937 C ILE A 126 0.877 22.899 -3.135 1.00 54.02 C ATOM 1938 O ILE A 126 0.964 22.016 -2.283 1.00 62.23 O ATOM 1939 CB ILE A 126 2.096 24.942 -2.382 1.00 40.23 C ATOM 1940 CG1 ILE A 126 3.328 25.824 -2.593 1.00 42.53 C ATOM 1941 CG2 ILE A 126 2.092 24.355 -0.979 1.00 3.12 C ATOM 1942 CD1 ILE A 126 4.630 25.138 -2.244 1.00 60.35 C ATOM 0 H ILE A 126 1.958 25.375 -4.835 1.00 64.42 H new ATOM 0 HA ILE A 126 2.982 23.246 -3.378 1.00 24.21 H new ATOM 0 HB ILE A 126 1.206 25.560 -2.498 1.00 40.23 H new ATOM 0 HG12 ILE A 126 3.363 26.142 -3.635 1.00 42.53 H new ATOM 0 HG13 ILE A 126 3.228 26.725 -1.988 1.00 42.53 H new ATOM 0 HG21 ILE A 126 2.121 25.162 -0.247 1.00 3.12 H new ATOM 0 HG22 ILE A 126 1.187 23.765 -0.834 1.00 3.12 H new ATOM 0 HG23 ILE A 126 2.966 23.716 -0.849 1.00 3.12 H new ATOM 0 HD11 ILE A 126 5.460 25.823 -2.418 1.00 60.35 H new ATOM 0 HD12 ILE A 126 4.616 24.844 -1.195 1.00 60.35 H new ATOM 0 HD13 ILE A 126 4.753 24.252 -2.867 1.00 60.35 H new ATOM 1954 N GLY A 127 -0.228 23.113 -3.845 1.00 24.24 N ATOM 1955 CA GLY A 127 -1.409 22.295 -3.642 1.00 52.02 C ATOM 1956 C GLY A 127 -1.163 20.833 -3.956 1.00 21.42 C ATOM 1957 O GLY A 127 -1.349 19.968 -3.100 1.00 64.21 O ATOM 0 H GLY A 127 -0.325 23.838 -4.556 1.00 24.24 H new ATOM 0 HA2 GLY A 127 -1.740 22.391 -2.608 1.00 52.02 H new ATOM 0 HA3 GLY A 127 -2.218 22.667 -4.271 1.00 52.02 H new ATOM 1961 N MET A 128 -0.745 20.555 -5.186 1.00 50.15 N ATOM 1962 CA MET A 128 -0.474 19.186 -5.611 1.00 4.54 C ATOM 1963 C MET A 128 0.914 18.742 -5.158 1.00 13.10 C ATOM 1964 O MET A 128 1.172 17.549 -4.994 1.00 54.44 O ATOM 1965 CB MET A 128 -0.589 19.069 -7.132 1.00 24.14 C ATOM 1966 CG MET A 128 0.490 19.831 -7.883 1.00 43.44 C ATOM 1967 SD MET A 128 0.371 19.623 -9.670 1.00 52.14 S ATOM 1968 CE MET A 128 -0.376 21.181 -10.144 1.00 33.44 C ATOM 0 H MET A 128 -0.586 21.259 -5.907 1.00 50.15 H new ATOM 0 HA MET A 128 -1.214 18.534 -5.147 1.00 4.54 H new ATOM 0 HB2 MET A 128 -0.541 18.017 -7.412 1.00 24.14 H new ATOM 0 HB3 MET A 128 -1.566 19.437 -7.444 1.00 24.14 H new ATOM 0 HG2 MET A 128 0.418 20.891 -7.639 1.00 43.44 H new ATOM 0 HG3 MET A 128 1.470 19.492 -7.546 1.00 43.44 H new ATOM 0 HE1 MET A 128 -0.514 21.204 -11.225 1.00 33.44 H new ATOM 0 HE2 MET A 128 -1.343 21.285 -9.652 1.00 33.44 H new ATOM 0 HE3 MET A 128 0.274 22.003 -9.844 1.00 33.44 H new ATOM 1978 N PHE A 129 1.804 19.708 -4.958 1.00 14.45 N ATOM 1979 CA PHE A 129 3.165 19.416 -4.525 1.00 42.11 C ATOM 1980 C PHE A 129 3.187 18.954 -3.071 1.00 13.00 C ATOM 1981 O PHE A 129 3.763 17.915 -2.746 1.00 43.20 O ATOM 1982 CB PHE A 129 4.052 20.651 -4.693 1.00 4.44 C ATOM 1983 CG PHE A 129 5.520 20.358 -4.560 1.00 15.25 C ATOM 1984 CD1 PHE A 129 6.109 20.258 -3.310 1.00 32.54 C ATOM 1985 CD2 PHE A 129 6.309 20.184 -5.684 1.00 64.15 C ATOM 1986 CE1 PHE A 129 7.459 19.988 -3.184 1.00 35.55 C ATOM 1987 CE2 PHE A 129 7.659 19.913 -5.565 1.00 4.34 C ATOM 1988 CZ PHE A 129 8.235 19.816 -4.313 1.00 10.22 C ATOM 0 H PHE A 129 1.607 20.700 -5.089 1.00 14.45 H new ATOM 0 HA PHE A 129 3.553 18.611 -5.149 1.00 42.11 H new ATOM 0 HB2 PHE A 129 3.865 21.092 -5.672 1.00 4.44 H new ATOM 0 HB3 PHE A 129 3.769 21.395 -3.949 1.00 4.44 H new ATOM 0 HD1 PHE A 129 5.507 20.393 -2.424 1.00 32.54 H new ATOM 0 HD2 PHE A 129 5.864 20.261 -6.665 1.00 64.15 H new ATOM 0 HE1 PHE A 129 7.906 19.912 -2.204 1.00 35.55 H new ATOM 0 HE2 PHE A 129 8.263 19.777 -6.450 1.00 4.34 H new ATOM 0 HZ PHE A 129 9.290 19.606 -4.218 1.00 10.22 H new ATOM 1998 N LEU A 130 2.555 19.733 -2.200 1.00 20.12 N ATOM 1999 CA LEU A 130 2.501 19.405 -0.779 1.00 41.23 C ATOM 2000 C LEU A 130 1.294 18.526 -0.469 1.00 23.52 C ATOM 2001 O LEU A 130 1.055 18.170 0.685 1.00 72.54 O ATOM 2002 CB LEU A 130 2.443 20.684 0.058 1.00 51.45 C ATOM 2003 CG LEU A 130 3.379 20.739 1.266 1.00 55.23 C ATOM 2004 CD1 LEU A 130 4.797 21.070 0.828 1.00 52.21 C ATOM 2005 CD2 LEU A 130 2.880 21.758 2.280 1.00 21.14 C ATOM 0 H LEU A 130 2.073 20.596 -2.452 1.00 20.12 H new ATOM 0 HA LEU A 130 3.405 18.852 -0.524 1.00 41.23 H new ATOM 0 HB2 LEU A 130 2.670 21.530 -0.591 1.00 51.45 H new ATOM 0 HB3 LEU A 130 1.420 20.818 0.410 1.00 51.45 H new ATOM 0 HG LEU A 130 3.388 19.758 1.740 1.00 55.23 H new ATOM 0 HD11 LEU A 130 5.449 21.105 1.701 1.00 52.21 H new ATOM 0 HD12 LEU A 130 5.153 20.304 0.139 1.00 52.21 H new ATOM 0 HD13 LEU A 130 4.807 22.039 0.329 1.00 52.21 H new ATOM 0 HD21 LEU A 130 3.558 21.784 3.133 1.00 21.14 H new ATOM 0 HD22 LEU A 130 2.842 22.744 1.817 1.00 21.14 H new ATOM 0 HD23 LEU A 130 1.882 21.477 2.618 1.00 21.14 H new