USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 130:sc= -0.116 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0836 K(o=-0.084,f=-1.6!) 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= 0.11 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= -0.0549 (180deg=-1.35) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 78:sc= 0.327 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 93:sc= 0.00554 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0634 USER MOD Single : A 69 SER OG : rot -8:sc= 0.687 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0126 USER MOD Single : A 75 MET CE :methyl 147:sc= -0.406 (180deg=-1.82!) USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.657 USER MOD Single : A 78 MET CE :methyl -115:sc= -3.09! (180deg=-3.65!) USER MOD Single : A 82 THR OG1 : rot 78:sc= 0.87 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 171:sc= 1.25 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot 97:sc= 0.0337 USER MOD Single : A 121 CYS SG : rot 180:sc= -0.165 USER MOD Single : A 125 THR OG1 : rot 99:sc= 0.0705 USER MOD Single : A 128 MET CE :methyl -144:sc= 0 (180deg=-0.673) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 7.691 5.251 -9.001 1.00 33.22 N ATOM 56 CA GLU A 6 8.310 5.521 -10.293 1.00 55.22 C ATOM 57 C GLU A 6 7.645 6.713 -10.976 1.00 12.11 C ATOM 58 O GLU A 6 8.286 7.713 -11.298 1.00 44.32 O ATOM 59 CB GLU A 6 8.220 4.288 -11.195 1.00 31.05 C ATOM 60 CG GLU A 6 8.090 4.622 -12.671 1.00 65.52 C ATOM 61 CD GLU A 6 8.348 3.424 -13.565 1.00 20.34 C ATOM 62 OE1 GLU A 6 8.386 2.290 -13.042 1.00 41.31 O ATOM 63 OE2 GLU A 6 8.511 3.620 -14.787 1.00 43.42 O ATOM 0 HA GLU A 6 9.359 5.761 -10.121 1.00 55.22 H new ATOM 0 HB2 GLU A 6 9.109 3.674 -11.047 1.00 31.05 H new ATOM 0 HB3 GLU A 6 7.363 3.687 -10.890 1.00 31.05 H new ATOM 0 HG2 GLU A 6 7.089 5.007 -12.866 1.00 65.52 H new ATOM 0 HG3 GLU A 6 8.792 5.417 -12.923 1.00 65.52 H new ATOM 70 N PRO A 7 6.327 6.605 -11.203 1.00 2.32 N ATOM 71 CA PRO A 7 5.546 7.664 -11.849 1.00 61.02 C ATOM 72 C PRO A 7 5.392 8.895 -10.962 1.00 60.31 C ATOM 73 O PRO A 7 5.157 10.000 -11.452 1.00 13.22 O ATOM 74 CB PRO A 7 4.186 7.005 -12.090 1.00 32.42 C ATOM 75 CG PRO A 7 4.094 5.937 -11.055 1.00 21.20 C ATOM 76 CD PRO A 7 5.498 5.442 -10.845 1.00 65.22 C ATOM 0 HA PRO A 7 6.026 8.027 -12.758 1.00 61.02 H new ATOM 0 HB2 PRO A 7 3.374 7.725 -11.989 1.00 32.42 H new ATOM 0 HB3 PRO A 7 4.120 6.589 -13.095 1.00 32.42 H new ATOM 0 HG2 PRO A 7 3.675 6.327 -10.128 1.00 21.20 H new ATOM 0 HG3 PRO A 7 3.441 5.129 -11.385 1.00 21.20 H new ATOM 0 HD2 PRO A 7 5.665 5.132 -9.813 1.00 65.22 H new ATOM 0 HD3 PRO A 7 5.719 4.581 -11.476 1.00 65.22 H new ATOM 84 N LEU A 8 5.526 8.697 -9.655 1.00 64.24 N ATOM 85 CA LEU A 8 5.403 9.791 -8.699 1.00 54.41 C ATOM 86 C LEU A 8 6.669 10.642 -8.678 1.00 54.03 C ATOM 87 O LEU A 8 6.640 11.807 -8.280 1.00 60.24 O ATOM 88 CB LEU A 8 5.120 9.243 -7.299 1.00 62.45 C ATOM 89 CG LEU A 8 3.902 9.826 -6.583 1.00 74.31 C ATOM 90 CD1 LEU A 8 4.019 11.338 -6.475 1.00 3.12 C ATOM 91 CD2 LEU A 8 2.621 9.439 -7.308 1.00 50.15 C ATOM 0 H LEU A 8 5.720 7.789 -9.233 1.00 64.24 H new ATOM 0 HA LEU A 8 4.570 10.420 -9.011 1.00 54.41 H new ATOM 0 HB2 LEU A 8 4.990 8.163 -7.373 1.00 62.45 H new ATOM 0 HB3 LEU A 8 5.999 9.417 -6.678 1.00 62.45 H new ATOM 0 HG LEU A 8 3.865 9.412 -5.575 1.00 74.31 H new ATOM 0 HD11 LEU A 8 3.143 11.735 -5.962 1.00 3.12 H new ATOM 0 HD12 LEU A 8 4.916 11.594 -5.911 1.00 3.12 H new ATOM 0 HD13 LEU A 8 4.082 11.770 -7.474 1.00 3.12 H new ATOM 0 HD21 LEU A 8 1.764 9.863 -6.784 1.00 50.15 H new ATOM 0 HD22 LEU A 8 2.650 9.824 -8.327 1.00 50.15 H new ATOM 0 HD23 LEU A 8 2.531 8.353 -7.332 1.00 50.15 H new ATOM 103 N PHE A 9 7.778 10.053 -9.111 1.00 63.13 N ATOM 104 CA PHE A 9 9.055 10.757 -9.144 1.00 31.24 C ATOM 105 C PHE A 9 9.127 11.697 -10.343 1.00 43.12 C ATOM 106 O PHE A 9 9.912 12.646 -10.356 1.00 32.13 O ATOM 107 CB PHE A 9 10.212 9.757 -9.195 1.00 32.32 C ATOM 108 CG PHE A 9 11.269 10.009 -8.158 1.00 51.41 C ATOM 109 CD1 PHE A 9 11.843 11.264 -8.027 1.00 21.44 C ATOM 110 CD2 PHE A 9 11.688 8.993 -7.315 1.00 0.11 C ATOM 111 CE1 PHE A 9 12.817 11.498 -7.074 1.00 55.40 C ATOM 112 CE2 PHE A 9 12.661 9.222 -6.360 1.00 51.11 C ATOM 113 CZ PHE A 9 13.225 10.477 -6.239 1.00 20.21 C ATOM 0 H PHE A 9 7.819 9.090 -9.444 1.00 63.13 H new ATOM 0 HA PHE A 9 9.137 11.351 -8.234 1.00 31.24 H new ATOM 0 HB2 PHE A 9 9.817 8.750 -9.062 1.00 32.32 H new ATOM 0 HB3 PHE A 9 10.669 9.792 -10.184 1.00 32.32 H new ATOM 0 HD1 PHE A 9 11.526 12.067 -8.676 1.00 21.44 H new ATOM 0 HD2 PHE A 9 11.249 8.010 -7.405 1.00 0.11 H new ATOM 0 HE1 PHE A 9 13.259 12.479 -6.983 1.00 55.40 H new ATOM 0 HE2 PHE A 9 12.980 8.421 -5.710 1.00 51.11 H new ATOM 0 HZ PHE A 9 13.984 10.659 -5.492 1.00 20.21 H new ATOM 123 N TYR A 10 8.304 11.426 -11.350 1.00 1.21 N ATOM 124 CA TYR A 10 8.276 12.245 -12.556 1.00 0.21 C ATOM 125 C TYR A 10 7.619 13.595 -12.283 1.00 22.23 C ATOM 126 O TYR A 10 8.218 14.648 -12.506 1.00 31.41 O ATOM 127 CB TYR A 10 7.527 11.518 -13.674 1.00 43.11 C ATOM 128 CG TYR A 10 8.160 11.689 -15.037 1.00 14.21 C ATOM 129 CD1 TYR A 10 9.387 11.109 -15.333 1.00 51.40 C ATOM 130 CD2 TYR A 10 7.529 12.430 -16.029 1.00 13.02 C ATOM 131 CE1 TYR A 10 9.968 11.264 -16.577 1.00 24.25 C ATOM 132 CE2 TYR A 10 8.102 12.589 -17.276 1.00 20.53 C ATOM 133 CZ TYR A 10 9.322 12.004 -17.544 1.00 41.05 C ATOM 134 OH TYR A 10 9.897 12.159 -18.785 1.00 4.01 O ATOM 0 H TYR A 10 7.647 10.645 -11.355 1.00 1.21 H new ATOM 0 HA TYR A 10 9.305 12.419 -12.870 1.00 0.21 H new ATOM 0 HB2 TYR A 10 7.478 10.455 -13.436 1.00 43.11 H new ATOM 0 HB3 TYR A 10 6.501 11.884 -13.711 1.00 43.11 H new ATOM 0 HD1 TYR A 10 9.895 10.527 -14.578 1.00 51.40 H new ATOM 0 HD2 TYR A 10 6.574 12.890 -15.821 1.00 13.02 H new ATOM 0 HE1 TYR A 10 10.923 10.808 -16.791 1.00 24.25 H new ATOM 0 HE2 TYR A 10 7.598 13.168 -18.036 1.00 20.53 H new ATOM 0 HH TYR A 10 9.241 11.940 -19.479 1.00 4.01 H new ATOM 144 N THR A 11 6.382 13.556 -11.797 1.00 3.13 N ATOM 145 CA THR A 11 5.642 14.774 -11.493 1.00 10.21 C ATOM 146 C THR A 11 6.453 15.700 -10.594 1.00 13.34 C ATOM 147 O THR A 11 6.460 16.917 -10.785 1.00 71.32 O ATOM 148 CB THR A 11 4.299 14.459 -10.808 1.00 54.13 C ATOM 149 OG1 THR A 11 3.655 15.675 -10.410 1.00 73.42 O ATOM 150 CG2 THR A 11 4.506 13.568 -9.593 1.00 63.22 C ATOM 0 H THR A 11 5.872 12.694 -11.606 1.00 3.13 H new ATOM 0 HA THR A 11 5.449 15.272 -12.443 1.00 10.21 H new ATOM 0 HB THR A 11 3.668 13.930 -11.522 1.00 54.13 H new ATOM 0 HG1 THR A 11 2.801 15.466 -9.977 1.00 73.42 H new ATOM 0 HG21 THR A 11 3.543 13.360 -9.126 1.00 63.22 H new ATOM 0 HG22 THR A 11 4.969 12.631 -9.903 1.00 63.22 H new ATOM 0 HG23 THR A 11 5.154 14.074 -8.877 1.00 63.22 H new ATOM 158 N ILE A 12 7.135 15.118 -9.613 1.00 74.33 N ATOM 159 CA ILE A 12 7.950 15.892 -8.686 1.00 22.22 C ATOM 160 C ILE A 12 9.076 16.616 -9.416 1.00 51.13 C ATOM 161 O ILE A 12 9.341 17.790 -9.160 1.00 62.34 O ATOM 162 CB ILE A 12 8.557 14.998 -7.589 1.00 23.34 C ATOM 163 CG1 ILE A 12 7.509 14.681 -6.520 1.00 74.45 C ATOM 164 CG2 ILE A 12 9.769 15.674 -6.965 1.00 21.33 C ATOM 165 CD1 ILE A 12 7.931 13.587 -5.565 1.00 21.12 C ATOM 0 H ILE A 12 7.139 14.113 -9.440 1.00 74.33 H new ATOM 0 HA ILE A 12 7.290 16.625 -8.223 1.00 22.22 H new ATOM 0 HB ILE A 12 8.881 14.061 -8.043 1.00 23.34 H new ATOM 0 HG12 ILE A 12 7.297 15.586 -5.951 1.00 74.45 H new ATOM 0 HG13 ILE A 12 6.580 14.387 -7.009 1.00 74.45 H new ATOM 0 HG21 ILE A 12 10.187 15.030 -6.191 1.00 21.33 H new ATOM 0 HG22 ILE A 12 10.521 15.853 -7.733 1.00 21.33 H new ATOM 0 HG23 ILE A 12 9.468 16.624 -6.523 1.00 21.33 H new ATOM 0 HD11 ILE A 12 7.140 13.416 -4.835 1.00 21.12 H new ATOM 0 HD12 ILE A 12 8.115 12.669 -6.122 1.00 21.12 H new ATOM 0 HD13 ILE A 12 8.843 13.887 -5.048 1.00 21.12 H new ATOM 177 N ASN A 13 9.734 15.908 -10.329 1.00 33.14 N ATOM 178 CA ASN A 13 10.831 16.484 -11.098 1.00 73.21 C ATOM 179 C ASN A 13 10.322 17.570 -12.042 1.00 21.54 C ATOM 180 O ASN A 13 11.104 18.347 -12.591 1.00 23.34 O ATOM 181 CB ASN A 13 11.548 15.394 -11.897 1.00 24.34 C ATOM 182 CG ASN A 13 12.756 14.841 -11.165 1.00 4.42 C ATOM 183 OD1 ASN A 13 12.943 15.092 -9.974 1.00 13.00 O ATOM 184 ND2 ASN A 13 13.584 14.085 -11.876 1.00 43.44 N ATOM 0 H ASN A 13 9.526 14.935 -10.554 1.00 33.14 H new ATOM 0 HA ASN A 13 11.535 16.935 -10.399 1.00 73.21 H new ATOM 0 HB2 ASN A 13 10.851 14.583 -12.107 1.00 24.34 H new ATOM 0 HB3 ASN A 13 11.863 15.800 -12.858 1.00 24.34 H new ATOM 0 HD21 ASN A 13 14.414 13.686 -11.438 1.00 43.44 H new ATOM 0 HD22 ASN A 13 13.390 13.903 -12.861 1.00 43.44 H new ATOM 191 N LEU A 14 9.007 17.618 -12.225 1.00 63.41 N ATOM 192 CA LEU A 14 8.393 18.609 -13.102 1.00 31.33 C ATOM 193 C LEU A 14 8.067 19.886 -12.335 1.00 52.30 C ATOM 194 O LEU A 14 7.971 20.965 -12.920 1.00 54.53 O ATOM 195 CB LEU A 14 7.121 18.041 -13.734 1.00 32.35 C ATOM 196 CG LEU A 14 7.199 17.719 -15.226 1.00 71.23 C ATOM 197 CD1 LEU A 14 6.034 16.834 -15.643 1.00 41.32 C ATOM 198 CD2 LEU A 14 7.219 19.000 -16.048 1.00 20.42 C ATOM 0 H LEU A 14 8.346 16.983 -11.778 1.00 63.41 H new ATOM 0 HA LEU A 14 9.105 18.852 -13.890 1.00 31.33 H new ATOM 0 HB2 LEU A 14 6.849 17.130 -13.200 1.00 32.35 H new ATOM 0 HB3 LEU A 14 6.312 18.755 -13.579 1.00 32.35 H new ATOM 0 HG LEU A 14 8.126 17.176 -15.413 1.00 71.23 H new ATOM 0 HD11 LEU A 14 6.106 16.615 -16.708 1.00 41.32 H new ATOM 0 HD12 LEU A 14 6.065 15.902 -15.078 1.00 41.32 H new ATOM 0 HD13 LEU A 14 5.095 17.350 -15.441 1.00 41.32 H new ATOM 0 HD21 LEU A 14 7.275 18.751 -17.108 1.00 20.42 H new ATOM 0 HD22 LEU A 14 6.310 19.570 -15.856 1.00 20.42 H new ATOM 0 HD23 LEU A 14 8.087 19.598 -15.769 1.00 20.42 H new ATOM 210 N ILE A 15 7.900 19.757 -11.023 1.00 61.32 N ATOM 211 CA ILE A 15 7.588 20.901 -10.176 1.00 45.55 C ATOM 212 C ILE A 15 8.842 21.712 -9.864 1.00 70.31 C ATOM 213 O ILE A 15 8.777 22.927 -9.678 1.00 42.21 O ATOM 214 CB ILE A 15 6.932 20.462 -8.854 1.00 64.33 C ATOM 215 CG1 ILE A 15 5.615 19.735 -9.131 1.00 33.34 C ATOM 216 CG2 ILE A 15 6.701 21.665 -7.952 1.00 71.41 C ATOM 217 CD1 ILE A 15 4.610 20.572 -9.891 1.00 4.31 C ATOM 0 H ILE A 15 7.976 18.871 -10.524 1.00 61.32 H new ATOM 0 HA ILE A 15 6.885 21.522 -10.731 1.00 45.55 H new ATOM 0 HB ILE A 15 7.604 19.774 -8.342 1.00 64.33 H new ATOM 0 HG12 ILE A 15 5.823 18.828 -9.698 1.00 33.34 H new ATOM 0 HG13 ILE A 15 5.175 19.425 -8.183 1.00 33.34 H new ATOM 0 HG21 ILE A 15 6.237 21.338 -7.022 1.00 71.41 H new ATOM 0 HG22 ILE A 15 7.655 22.144 -7.733 1.00 71.41 H new ATOM 0 HG23 ILE A 15 6.045 22.376 -8.455 1.00 71.41 H new ATOM 0 HD11 ILE A 15 3.701 19.992 -10.052 1.00 4.31 H new ATOM 0 HD12 ILE A 15 4.373 21.467 -9.316 1.00 4.31 H new ATOM 0 HD13 ILE A 15 5.031 20.861 -10.854 1.00 4.31 H new ATOM 229 N ILE A 16 9.982 21.031 -9.810 1.00 34.42 N ATOM 230 CA ILE A 16 11.251 21.688 -9.523 1.00 73.22 C ATOM 231 C ILE A 16 11.489 22.860 -10.469 1.00 60.44 C ATOM 232 O ILE A 16 11.672 24.002 -10.049 1.00 0.12 O ATOM 233 CB ILE A 16 12.431 20.705 -9.634 1.00 22.12 C ATOM 234 CG1 ILE A 16 12.681 20.021 -8.288 1.00 63.44 C ATOM 235 CG2 ILE A 16 13.682 21.431 -10.106 1.00 23.32 C ATOM 236 CD1 ILE A 16 13.485 18.744 -8.400 1.00 2.12 C ATOM 0 H ILE A 16 10.053 20.025 -9.961 1.00 34.42 H new ATOM 0 HA ILE A 16 11.191 22.057 -8.499 1.00 73.22 H new ATOM 0 HB ILE A 16 12.180 19.940 -10.368 1.00 22.12 H new ATOM 0 HG12 ILE A 16 13.204 20.714 -7.629 1.00 63.44 H new ATOM 0 HG13 ILE A 16 11.723 19.798 -7.819 1.00 63.44 H new ATOM 0 HG21 ILE A 16 14.508 20.723 -10.180 1.00 23.32 H new ATOM 0 HG22 ILE A 16 13.497 21.876 -11.084 1.00 23.32 H new ATOM 0 HG23 ILE A 16 13.939 22.215 -9.393 1.00 23.32 H new ATOM 0 HD11 ILE A 16 13.624 18.313 -7.408 1.00 2.12 H new ATOM 0 HD12 ILE A 16 12.953 18.034 -9.033 1.00 2.12 H new ATOM 0 HD13 ILE A 16 14.458 18.964 -8.840 1.00 2.12 H new ATOM 248 N PRO A 17 11.485 22.572 -11.780 1.00 4.34 N ATOM 249 CA PRO A 17 11.697 23.590 -12.814 1.00 24.53 C ATOM 250 C PRO A 17 10.525 24.558 -12.923 1.00 11.21 C ATOM 251 O PRO A 17 10.713 25.748 -13.178 1.00 54.43 O ATOM 252 CB PRO A 17 11.833 22.767 -14.098 1.00 1.24 C ATOM 253 CG PRO A 17 11.091 21.506 -13.820 1.00 32.22 C ATOM 254 CD PRO A 17 11.274 21.232 -12.352 1.00 55.44 C ATOM 0 HA PRO A 17 12.563 24.216 -12.599 1.00 24.53 H new ATOM 0 HB2 PRO A 17 11.410 23.295 -14.953 1.00 1.24 H new ATOM 0 HB3 PRO A 17 12.879 22.568 -14.332 1.00 1.24 H new ATOM 0 HG2 PRO A 17 10.035 21.612 -14.068 1.00 32.22 H new ATOM 0 HG3 PRO A 17 11.479 20.684 -14.422 1.00 32.22 H new ATOM 0 HD2 PRO A 17 10.399 20.744 -11.922 1.00 55.44 H new ATOM 0 HD3 PRO A 17 12.126 20.578 -12.168 1.00 55.44 H new ATOM 262 N CYS A 18 9.317 24.042 -12.728 1.00 32.31 N ATOM 263 CA CYS A 18 8.113 24.862 -12.805 1.00 60.20 C ATOM 264 C CYS A 18 8.235 26.092 -11.911 1.00 71.24 C ATOM 265 O CYS A 18 8.095 27.224 -12.373 1.00 40.33 O ATOM 266 CB CYS A 18 6.886 24.043 -12.401 1.00 61.25 C ATOM 267 SG CYS A 18 5.472 25.041 -11.877 1.00 63.42 S ATOM 0 H CYS A 18 9.145 23.059 -12.515 1.00 32.31 H new ATOM 0 HA CYS A 18 7.995 25.195 -13.836 1.00 60.20 H new ATOM 0 HB2 CYS A 18 6.585 23.420 -13.243 1.00 61.25 H new ATOM 0 HB3 CYS A 18 7.163 23.370 -11.589 1.00 61.25 H new ATOM 0 HG CYS A 18 4.484 24.259 -11.557 1.00 63.42 H new ATOM 273 N VAL A 19 8.495 25.861 -10.628 1.00 40.23 N ATOM 274 CA VAL A 19 8.635 26.950 -9.669 1.00 1.20 C ATOM 275 C VAL A 19 9.837 27.826 -10.003 1.00 64.22 C ATOM 276 O VAL A 19 9.739 29.053 -10.024 1.00 11.54 O ATOM 277 CB VAL A 19 8.786 26.416 -8.232 1.00 42.41 C ATOM 278 CG1 VAL A 19 8.832 27.566 -7.237 1.00 41.12 C ATOM 279 CG2 VAL A 19 7.654 25.457 -7.899 1.00 33.12 C ATOM 0 H VAL A 19 8.613 24.930 -10.229 1.00 40.23 H new ATOM 0 HA VAL A 19 7.725 27.547 -9.733 1.00 1.20 H new ATOM 0 HB VAL A 19 9.727 25.870 -8.163 1.00 42.41 H new ATOM 0 HG11 VAL A 19 8.939 27.169 -6.227 1.00 41.12 H new ATOM 0 HG12 VAL A 19 9.681 28.211 -7.465 1.00 41.12 H new ATOM 0 HG13 VAL A 19 7.910 28.143 -7.305 1.00 41.12 H new ATOM 0 HG21 VAL A 19 7.776 25.089 -6.880 1.00 33.12 H new ATOM 0 HG22 VAL A 19 6.700 25.977 -7.985 1.00 33.12 H new ATOM 0 HG23 VAL A 19 7.673 24.616 -8.593 1.00 33.12 H new ATOM 289 N LEU A 20 10.972 27.187 -10.265 1.00 45.43 N ATOM 290 CA LEU A 20 12.196 27.908 -10.600 1.00 30.01 C ATOM 291 C LEU A 20 11.954 28.891 -11.741 1.00 3.23 C ATOM 292 O LEU A 20 12.371 30.048 -11.675 1.00 10.02 O ATOM 293 CB LEU A 20 13.302 26.924 -10.985 1.00 72.23 C ATOM 294 CG LEU A 20 14.700 27.245 -10.458 1.00 4.44 C ATOM 295 CD1 LEU A 20 14.819 26.862 -8.991 1.00 32.42 C ATOM 296 CD2 LEU A 20 15.760 26.532 -11.285 1.00 33.52 C ATOM 0 H LEU A 20 11.071 26.172 -10.252 1.00 45.43 H new ATOM 0 HA LEU A 20 12.509 28.471 -9.721 1.00 30.01 H new ATOM 0 HB2 LEU A 20 13.020 25.934 -10.628 1.00 72.23 H new ATOM 0 HB3 LEU A 20 13.349 26.869 -12.073 1.00 72.23 H new ATOM 0 HG LEU A 20 14.862 28.319 -10.546 1.00 4.44 H new ATOM 0 HD11 LEU A 20 15.821 27.098 -8.634 1.00 32.42 H new ATOM 0 HD12 LEU A 20 14.085 27.420 -8.409 1.00 32.42 H new ATOM 0 HD13 LEU A 20 14.636 25.793 -8.878 1.00 32.42 H new ATOM 0 HD21 LEU A 20 16.749 26.773 -10.895 1.00 33.52 H new ATOM 0 HD22 LEU A 20 15.601 25.455 -11.230 1.00 33.52 H new ATOM 0 HD23 LEU A 20 15.691 26.857 -12.323 1.00 33.52 H new ATOM 308 N ILE A 21 11.277 28.424 -12.784 1.00 62.11 N ATOM 309 CA ILE A 21 10.977 29.263 -13.937 1.00 43.15 C ATOM 310 C ILE A 21 10.303 30.563 -13.511 1.00 63.12 C ATOM 311 O ILE A 21 10.727 31.652 -13.900 1.00 12.02 O ATOM 312 CB ILE A 21 10.069 28.533 -14.944 1.00 34.11 C ATOM 313 CG1 ILE A 21 10.856 27.447 -15.680 1.00 73.13 C ATOM 314 CG2 ILE A 21 9.470 29.523 -15.932 1.00 33.31 C ATOM 315 CD1 ILE A 21 9.989 26.326 -16.210 1.00 55.53 C ATOM 0 H ILE A 21 10.926 27.469 -12.854 1.00 62.11 H new ATOM 0 HA ILE A 21 11.929 29.490 -14.417 1.00 43.15 H new ATOM 0 HB ILE A 21 9.255 28.057 -14.398 1.00 34.11 H new ATOM 0 HG12 ILE A 21 11.396 27.901 -16.511 1.00 73.13 H new ATOM 0 HG13 ILE A 21 11.602 27.030 -15.004 1.00 73.13 H new ATOM 0 HG21 ILE A 21 8.831 28.992 -16.637 1.00 33.31 H new ATOM 0 HG22 ILE A 21 8.879 30.263 -15.392 1.00 33.31 H new ATOM 0 HG23 ILE A 21 10.271 30.025 -16.475 1.00 33.31 H new ATOM 0 HD11 ILE A 21 10.614 25.593 -16.720 1.00 55.53 H new ATOM 0 HD12 ILE A 21 9.468 25.846 -15.381 1.00 55.53 H new ATOM 0 HD13 ILE A 21 9.259 26.731 -16.911 1.00 55.53 H new ATOM 327 N THR A 22 9.251 30.442 -12.707 1.00 63.23 N ATOM 328 CA THR A 22 8.519 31.606 -12.227 1.00 15.32 C ATOM 329 C THR A 22 9.453 32.603 -11.550 1.00 35.22 C ATOM 330 O THR A 22 9.454 33.789 -11.879 1.00 31.04 O ATOM 331 CB THR A 22 7.411 31.203 -11.235 1.00 54.24 C ATOM 332 OG1 THR A 22 6.536 30.245 -11.841 1.00 62.33 O ATOM 333 CG2 THR A 22 6.611 32.419 -10.794 1.00 55.42 C ATOM 0 H THR A 22 8.887 29.549 -12.375 1.00 63.23 H new ATOM 0 HA THR A 22 8.063 32.074 -13.099 1.00 15.32 H new ATOM 0 HB THR A 22 7.883 30.760 -10.358 1.00 54.24 H new ATOM 0 HG1 THR A 22 5.836 29.993 -11.204 1.00 62.33 H new ATOM 0 HG21 THR A 22 5.835 32.110 -10.094 1.00 55.42 H new ATOM 0 HG22 THR A 22 7.274 33.134 -10.307 1.00 55.42 H new ATOM 0 HG23 THR A 22 6.150 32.886 -11.664 1.00 55.42 H new ATOM 341 N SER A 23 10.247 32.113 -10.603 1.00 13.31 N ATOM 342 CA SER A 23 11.184 32.962 -9.877 1.00 50.51 C ATOM 343 C SER A 23 12.077 33.735 -10.843 1.00 11.40 C ATOM 344 O SER A 23 12.366 34.914 -10.632 1.00 13.10 O ATOM 345 CB SER A 23 12.044 32.119 -8.934 1.00 12.03 C ATOM 346 OG SER A 23 11.414 30.885 -8.637 1.00 24.43 O ATOM 0 H SER A 23 10.260 31.133 -10.321 1.00 13.31 H new ATOM 0 HA SER A 23 10.608 33.677 -9.290 1.00 50.51 H new ATOM 0 HB2 SER A 23 13.016 31.934 -9.391 1.00 12.03 H new ATOM 0 HB3 SER A 23 12.225 32.670 -8.011 1.00 12.03 H new ATOM 0 HG SER A 23 11.984 30.363 -8.034 1.00 24.43 H new ATOM 352 N LEU A 24 12.511 33.063 -11.903 1.00 43.43 N ATOM 353 CA LEU A 24 13.372 33.686 -12.904 1.00 31.45 C ATOM 354 C LEU A 24 12.766 34.992 -13.406 1.00 42.22 C ATOM 355 O LEU A 24 13.452 36.009 -13.502 1.00 0.53 O ATOM 356 CB LEU A 24 13.597 32.730 -14.077 1.00 2.14 C ATOM 357 CG LEU A 24 15.053 32.381 -14.388 1.00 50.11 C ATOM 358 CD1 LEU A 24 15.556 31.299 -13.445 1.00 40.22 C ATOM 359 CD2 LEU A 24 15.197 31.938 -15.837 1.00 30.13 C ATOM 0 H LEU A 24 12.282 32.087 -12.092 1.00 43.43 H new ATOM 0 HA LEU A 24 14.331 33.909 -12.436 1.00 31.45 H new ATOM 0 HB2 LEU A 24 13.058 31.805 -13.874 1.00 2.14 H new ATOM 0 HB3 LEU A 24 13.151 33.170 -14.969 1.00 2.14 H new ATOM 0 HG LEU A 24 15.660 33.274 -14.240 1.00 50.11 H new ATOM 0 HD11 LEU A 24 16.594 31.064 -13.682 1.00 40.22 H new ATOM 0 HD12 LEU A 24 15.490 31.653 -12.416 1.00 40.22 H new ATOM 0 HD13 LEU A 24 14.946 30.403 -13.560 1.00 40.22 H new ATOM 0 HD21 LEU A 24 16.239 31.694 -16.041 1.00 30.13 H new ATOM 0 HD22 LEU A 24 14.577 31.059 -16.012 1.00 30.13 H new ATOM 0 HD23 LEU A 24 14.878 32.744 -16.497 1.00 30.13 H new ATOM 371 N ALA A 25 11.476 34.957 -13.724 1.00 63.42 N ATOM 372 CA ALA A 25 10.777 36.139 -14.213 1.00 21.43 C ATOM 373 C ALA A 25 10.708 37.219 -13.138 1.00 73.44 C ATOM 374 O ALA A 25 10.682 38.411 -13.445 1.00 0.02 O ATOM 375 CB ALA A 25 9.378 35.768 -14.682 1.00 61.22 C ATOM 0 H ALA A 25 10.894 34.123 -13.652 1.00 63.42 H new ATOM 0 HA ALA A 25 11.337 36.539 -15.058 1.00 21.43 H new ATOM 0 HB1 ALA A 25 8.867 36.660 -15.045 1.00 61.22 H new ATOM 0 HB2 ALA A 25 9.446 35.036 -15.487 1.00 61.22 H new ATOM 0 HB3 ALA A 25 8.817 35.341 -13.851 1.00 61.22 H new ATOM 381 N ILE A 26 10.677 36.794 -11.880 1.00 20.41 N ATOM 382 CA ILE A 26 10.611 37.725 -10.761 1.00 0.31 C ATOM 383 C ILE A 26 11.958 38.401 -10.528 1.00 50.21 C ATOM 384 O ILE A 26 12.031 39.617 -10.344 1.00 24.12 O ATOM 385 CB ILE A 26 10.173 37.018 -9.465 1.00 4.14 C ATOM 386 CG1 ILE A 26 8.759 36.456 -9.617 1.00 74.33 C ATOM 387 CG2 ILE A 26 10.243 37.979 -8.287 1.00 51.35 C ATOM 388 CD1 ILE A 26 8.364 35.503 -8.511 1.00 24.14 C ATOM 0 H ILE A 26 10.697 35.811 -11.610 1.00 20.41 H new ATOM 0 HA ILE A 26 9.869 38.479 -11.022 1.00 0.31 H new ATOM 0 HB ILE A 26 10.854 36.189 -9.274 1.00 4.14 H new ATOM 0 HG12 ILE A 26 8.049 37.283 -9.643 1.00 74.33 H new ATOM 0 HG13 ILE A 26 8.683 35.940 -10.574 1.00 74.33 H new ATOM 0 HG21 ILE A 26 9.930 37.464 -7.378 1.00 51.35 H new ATOM 0 HG22 ILE A 26 11.266 38.335 -8.168 1.00 51.35 H new ATOM 0 HG23 ILE A 26 9.583 38.827 -8.469 1.00 51.35 H new ATOM 0 HD11 ILE A 26 7.349 35.145 -8.685 1.00 24.14 H new ATOM 0 HD12 ILE A 26 9.051 34.657 -8.498 1.00 24.14 H new ATOM 0 HD13 ILE A 26 8.407 36.020 -7.552 1.00 24.14 H new ATOM 400 N LEU A 27 13.022 37.606 -10.539 1.00 42.35 N ATOM 401 CA LEU A 27 14.369 38.128 -10.332 1.00 32.55 C ATOM 402 C LEU A 27 14.697 39.210 -11.354 1.00 45.42 C ATOM 403 O LEU A 27 15.370 40.192 -11.040 1.00 0.51 O ATOM 404 CB LEU A 27 15.394 36.996 -10.422 1.00 44.30 C ATOM 405 CG LEU A 27 15.347 35.956 -9.302 1.00 5.51 C ATOM 406 CD1 LEU A 27 16.084 34.692 -9.716 1.00 74.12 C ATOM 407 CD2 LEU A 27 15.940 36.525 -8.021 1.00 1.31 C ATOM 0 H LEU A 27 12.979 36.598 -10.689 1.00 42.35 H new ATOM 0 HA LEU A 27 14.412 38.571 -9.337 1.00 32.55 H new ATOM 0 HB2 LEU A 27 15.255 36.482 -11.373 1.00 44.30 H new ATOM 0 HB3 LEU A 27 16.391 37.436 -10.440 1.00 44.30 H new ATOM 0 HG LEU A 27 14.304 35.699 -9.114 1.00 5.51 H new ATOM 0 HD11 LEU A 27 16.040 33.963 -8.906 1.00 74.12 H new ATOM 0 HD12 LEU A 27 15.616 34.273 -10.607 1.00 74.12 H new ATOM 0 HD13 LEU A 27 17.125 34.932 -9.932 1.00 74.12 H new ATOM 0 HD21 LEU A 27 15.898 35.771 -7.235 1.00 1.31 H new ATOM 0 HD22 LEU A 27 16.977 36.810 -8.196 1.00 1.31 H new ATOM 0 HD23 LEU A 27 15.369 37.402 -7.714 1.00 1.31 H new ATOM 419 N VAL A 28 14.217 39.025 -12.580 1.00 13.43 N ATOM 420 CA VAL A 28 14.456 39.988 -13.648 1.00 65.23 C ATOM 421 C VAL A 28 13.707 41.290 -13.393 1.00 55.42 C ATOM 422 O VAL A 28 14.269 42.378 -13.519 1.00 4.23 O ATOM 423 CB VAL A 28 14.032 39.424 -15.017 1.00 62.33 C ATOM 424 CG1 VAL A 28 13.776 40.553 -16.004 1.00 35.41 C ATOM 425 CG2 VAL A 28 15.090 38.469 -15.550 1.00 74.24 C ATOM 0 H VAL A 28 13.660 38.217 -12.858 1.00 13.43 H new ATOM 0 HA VAL A 28 15.528 40.186 -13.661 1.00 65.23 H new ATOM 0 HB VAL A 28 13.103 38.868 -14.889 1.00 62.33 H new ATOM 0 HG11 VAL A 28 13.478 40.135 -16.965 1.00 35.41 H new ATOM 0 HG12 VAL A 28 12.981 41.195 -15.625 1.00 35.41 H new ATOM 0 HG13 VAL A 28 14.686 41.139 -16.130 1.00 35.41 H new ATOM 0 HG21 VAL A 28 14.774 38.080 -16.518 1.00 74.24 H new ATOM 0 HG22 VAL A 28 16.035 39.000 -15.663 1.00 74.24 H new ATOM 0 HG23 VAL A 28 15.219 37.642 -14.851 1.00 74.24 H new ATOM 435 N PHE A 29 12.433 41.173 -13.034 1.00 34.43 N ATOM 436 CA PHE A 29 11.604 42.341 -12.761 1.00 1.22 C ATOM 437 C PHE A 29 12.200 43.179 -11.633 1.00 50.24 C ATOM 438 O PHE A 29 12.031 44.398 -11.595 1.00 52.10 O ATOM 439 CB PHE A 29 10.182 41.910 -12.395 1.00 3.54 C ATOM 440 CG PHE A 29 9.192 42.102 -13.508 1.00 24.10 C ATOM 441 CD1 PHE A 29 8.873 43.373 -13.958 1.00 33.05 C ATOM 442 CD2 PHE A 29 8.582 41.011 -14.105 1.00 61.14 C ATOM 443 CE1 PHE A 29 7.962 43.552 -14.981 1.00 74.22 C ATOM 444 CE2 PHE A 29 7.670 41.183 -15.130 1.00 5.51 C ATOM 445 CZ PHE A 29 7.361 42.456 -15.569 1.00 73.30 C ATOM 0 H PHE A 29 11.952 40.280 -12.925 1.00 34.43 H new ATOM 0 HA PHE A 29 11.570 42.950 -13.664 1.00 1.22 H new ATOM 0 HB2 PHE A 29 10.193 40.859 -12.106 1.00 3.54 H new ATOM 0 HB3 PHE A 29 9.852 42.477 -11.524 1.00 3.54 H new ATOM 0 HD1 PHE A 29 9.342 44.233 -13.504 1.00 33.05 H new ATOM 0 HD2 PHE A 29 8.822 40.014 -13.766 1.00 61.14 H new ATOM 0 HE1 PHE A 29 7.720 44.548 -15.321 1.00 74.22 H new ATOM 0 HE2 PHE A 29 7.200 40.324 -15.586 1.00 5.51 H new ATOM 0 HZ PHE A 29 6.651 42.594 -16.371 1.00 73.30 H new ATOM 455 N TYR A 30 12.897 42.517 -10.717 1.00 63.33 N ATOM 456 CA TYR A 30 13.516 43.199 -9.587 1.00 30.32 C ATOM 457 C TYR A 30 14.846 43.828 -9.991 1.00 72.44 C ATOM 458 O TYR A 30 15.207 44.905 -9.516 1.00 11.01 O ATOM 459 CB TYR A 30 13.732 42.221 -8.431 1.00 23.04 C ATOM 460 CG TYR A 30 12.705 42.349 -7.329 1.00 34.01 C ATOM 461 CD1 TYR A 30 11.347 42.228 -7.601 1.00 24.20 C ATOM 462 CD2 TYR A 30 13.090 42.592 -6.017 1.00 4.04 C ATOM 463 CE1 TYR A 30 10.405 42.345 -6.598 1.00 34.41 C ATOM 464 CE2 TYR A 30 12.155 42.709 -5.007 1.00 72.20 C ATOM 465 CZ TYR A 30 10.813 42.585 -5.303 1.00 23.44 C ATOM 466 OH TYR A 30 9.878 42.702 -4.300 1.00 21.20 O ATOM 0 H TYR A 30 13.048 41.508 -10.735 1.00 63.33 H new ATOM 0 HA TYR A 30 12.844 43.993 -9.262 1.00 30.32 H new ATOM 0 HB2 TYR A 30 13.711 41.203 -8.819 1.00 23.04 H new ATOM 0 HB3 TYR A 30 14.725 42.382 -8.011 1.00 23.04 H new ATOM 0 HD1 TYR A 30 11.023 42.039 -8.614 1.00 24.20 H new ATOM 0 HD2 TYR A 30 14.139 42.691 -5.782 1.00 4.04 H new ATOM 0 HE1 TYR A 30 9.354 42.249 -6.827 1.00 34.41 H new ATOM 0 HE2 TYR A 30 12.472 42.896 -3.992 1.00 72.20 H new ATOM 0 HH TYR A 30 10.332 42.869 -3.448 1.00 21.20 H new ATOM 476 N LEU A 31 15.570 43.147 -10.873 1.00 2.50 N ATOM 477 CA LEU A 31 16.861 43.638 -11.344 1.00 53.30 C ATOM 478 C LEU A 31 16.874 43.762 -12.864 1.00 64.13 C ATOM 479 O LEU A 31 17.516 42.983 -13.569 1.00 62.13 O ATOM 480 CB LEU A 31 17.982 42.703 -10.887 1.00 12.41 C ATOM 481 CG LEU A 31 18.613 43.025 -9.532 1.00 32.44 C ATOM 482 CD1 LEU A 31 19.517 44.242 -9.639 1.00 3.30 C ATOM 483 CD2 LEU A 31 17.535 43.250 -8.481 1.00 72.43 C ATOM 0 H LEU A 31 15.286 42.254 -11.276 1.00 2.50 H new ATOM 0 HA LEU A 31 17.025 44.627 -10.916 1.00 53.30 H new ATOM 0 HB2 LEU A 31 17.588 41.687 -10.850 1.00 12.41 H new ATOM 0 HB3 LEU A 31 18.767 42.713 -11.643 1.00 12.41 H new ATOM 0 HG LEU A 31 19.220 42.173 -9.225 1.00 32.44 H new ATOM 0 HD11 LEU A 31 19.957 44.455 -8.665 1.00 3.30 H new ATOM 0 HD12 LEU A 31 20.310 44.044 -10.360 1.00 3.30 H new ATOM 0 HD13 LEU A 31 18.933 45.101 -9.969 1.00 3.30 H new ATOM 0 HD21 LEU A 31 18.003 43.478 -7.523 1.00 72.43 H new ATOM 0 HD22 LEU A 31 16.901 44.084 -8.783 1.00 72.43 H new ATOM 0 HD23 LEU A 31 16.928 42.350 -8.383 1.00 72.43 H new ATOM 495 N PRO A 32 16.151 44.765 -13.383 1.00 43.42 N ATOM 496 CA PRO A 32 16.066 45.017 -14.825 1.00 23.21 C ATOM 497 C PRO A 32 17.380 45.535 -15.401 1.00 74.54 C ATOM 498 O PRO A 32 17.666 46.730 -15.342 1.00 2.24 O ATOM 499 CB PRO A 32 14.976 46.085 -14.935 1.00 12.41 C ATOM 500 CG PRO A 32 14.990 46.779 -13.616 1.00 65.34 C ATOM 501 CD PRO A 32 15.361 45.732 -12.602 1.00 44.23 C ATOM 0 HA PRO A 32 15.849 44.108 -15.386 1.00 23.21 H new ATOM 0 HB2 PRO A 32 15.183 46.779 -15.750 1.00 12.41 H new ATOM 0 HB3 PRO A 32 14.003 45.638 -15.137 1.00 12.41 H new ATOM 0 HG2 PRO A 32 15.710 47.598 -13.613 1.00 65.34 H new ATOM 0 HG3 PRO A 32 14.015 47.211 -13.392 1.00 65.34 H new ATOM 0 HD2 PRO A 32 15.941 46.155 -11.782 1.00 44.23 H new ATOM 0 HD3 PRO A 32 14.478 45.268 -12.162 1.00 44.23 H new ATOM 509 N SER A 33 18.174 44.627 -15.960 1.00 20.00 N ATOM 510 CA SER A 33 19.459 44.992 -16.544 1.00 41.15 C ATOM 511 C SER A 33 19.274 45.577 -17.942 1.00 20.45 C ATOM 512 O SER A 33 18.212 45.438 -18.549 1.00 21.12 O ATOM 513 CB SER A 33 20.380 43.772 -16.608 1.00 34.33 C ATOM 514 OG SER A 33 21.715 44.124 -16.292 1.00 25.43 O ATOM 0 H SER A 33 17.950 43.634 -16.021 1.00 20.00 H new ATOM 0 HA SER A 33 19.916 45.750 -15.908 1.00 41.15 H new ATOM 0 HB2 SER A 33 20.028 43.010 -15.913 1.00 34.33 H new ATOM 0 HB3 SER A 33 20.342 43.336 -17.606 1.00 34.33 H new ATOM 0 HG SER A 33 22.283 43.327 -16.338 1.00 25.43 H new ATOM 520 N ASP A 34 20.315 46.231 -18.445 1.00 20.52 N ATOM 521 CA ASP A 34 20.269 46.836 -19.771 1.00 3.13 C ATOM 522 C ASP A 34 21.049 45.997 -20.778 1.00 72.04 C ATOM 523 O ASP A 34 21.702 46.533 -21.674 1.00 4.30 O ATOM 524 CB ASP A 34 20.834 48.257 -19.726 1.00 24.43 C ATOM 525 CG ASP A 34 20.871 48.821 -18.319 1.00 54.01 C ATOM 526 OD1 ASP A 34 19.811 49.265 -17.831 1.00 53.31 O ATOM 527 OD2 ASP A 34 21.959 48.819 -17.707 1.00 1.25 O ATOM 0 H ASP A 34 21.201 46.356 -17.955 1.00 20.52 H new ATOM 0 HA ASP A 34 19.227 46.877 -20.089 1.00 3.13 H new ATOM 0 HB2 ASP A 34 21.842 48.257 -20.141 1.00 24.43 H new ATOM 0 HB3 ASP A 34 20.228 48.906 -20.359 1.00 24.43 H new ATOM 532 N CYS A 35 20.976 44.680 -20.625 1.00 72.55 N ATOM 533 CA CYS A 35 21.676 43.766 -21.521 1.00 63.21 C ATOM 534 C CYS A 35 20.689 42.990 -22.388 1.00 2.54 C ATOM 535 O CYS A 35 21.028 41.954 -22.957 1.00 22.11 O ATOM 536 CB CYS A 35 22.541 42.794 -20.717 1.00 61.34 C ATOM 537 SG CYS A 35 23.928 43.575 -19.859 1.00 54.24 S ATOM 0 H CYS A 35 20.439 44.221 -19.889 1.00 72.55 H new ATOM 0 HA CYS A 35 22.317 44.358 -22.174 1.00 63.21 H new ATOM 0 HB2 CYS A 35 21.913 42.287 -19.984 1.00 61.34 H new ATOM 0 HB3 CYS A 35 22.928 42.028 -21.389 1.00 61.34 H new ATOM 0 HG CYS A 35 24.598 42.672 -19.206 1.00 54.24 H new ATOM 543 N GLY A 36 19.465 43.500 -22.481 1.00 54.05 N ATOM 544 CA GLY A 36 18.446 42.842 -23.279 1.00 23.43 C ATOM 545 C GLY A 36 17.940 41.566 -22.634 1.00 40.44 C ATOM 546 O GLY A 36 17.389 40.699 -23.311 1.00 33.13 O ATOM 0 H GLY A 36 19.160 44.357 -22.018 1.00 54.05 H new ATOM 0 HA2 GLY A 36 17.610 43.525 -23.431 1.00 23.43 H new ATOM 0 HA3 GLY A 36 18.852 42.612 -24.264 1.00 23.43 H new ATOM 550 N GLU A 37 18.129 41.452 -21.323 1.00 50.14 N ATOM 551 CA GLU A 37 17.689 40.272 -20.589 1.00 30.30 C ATOM 552 C GLU A 37 16.170 40.133 -20.642 1.00 22.20 C ATOM 553 O GLU A 37 15.627 39.045 -20.448 1.00 24.12 O ATOM 554 CB GLU A 37 18.155 40.346 -19.133 1.00 52.44 C ATOM 555 CG GLU A 37 18.511 38.994 -18.538 1.00 54.51 C ATOM 556 CD GLU A 37 19.864 38.491 -19.001 1.00 52.05 C ATOM 557 OE1 GLU A 37 20.074 38.396 -20.229 1.00 12.14 O ATOM 558 OE2 GLU A 37 20.713 38.192 -18.136 1.00 1.22 O ATOM 0 H GLU A 37 18.583 42.162 -20.748 1.00 50.14 H new ATOM 0 HA GLU A 37 18.133 39.396 -21.061 1.00 30.30 H new ATOM 0 HB2 GLU A 37 19.024 41.001 -19.071 1.00 52.44 H new ATOM 0 HB3 GLU A 37 17.369 40.803 -18.532 1.00 52.44 H new ATOM 0 HG2 GLU A 37 18.508 39.068 -17.450 1.00 54.51 H new ATOM 0 HG3 GLU A 37 17.745 38.268 -18.811 1.00 54.51 H new ATOM 565 N LYS A 38 15.489 41.243 -20.906 1.00 24.12 N ATOM 566 CA LYS A 38 14.034 41.247 -20.986 1.00 15.45 C ATOM 567 C LYS A 38 13.543 40.252 -22.032 1.00 51.11 C ATOM 568 O LYS A 38 12.638 39.459 -21.772 1.00 2.40 O ATOM 569 CB LYS A 38 13.525 42.651 -21.323 1.00 60.21 C ATOM 570 CG LYS A 38 13.247 43.508 -20.100 1.00 61.51 C ATOM 571 CD LYS A 38 14.472 43.620 -19.208 1.00 31.21 C ATOM 572 CE LYS A 38 14.217 44.540 -18.024 1.00 34.00 C ATOM 573 NZ LYS A 38 14.840 45.878 -18.217 1.00 44.41 N ATOM 0 H LYS A 38 15.922 42.152 -21.068 1.00 24.12 H new ATOM 0 HA LYS A 38 13.641 40.948 -20.014 1.00 15.45 H new ATOM 0 HB2 LYS A 38 14.262 43.155 -21.949 1.00 60.21 H new ATOM 0 HB3 LYS A 38 12.611 42.565 -21.911 1.00 60.21 H new ATOM 0 HG2 LYS A 38 12.933 44.503 -20.415 1.00 61.51 H new ATOM 0 HG3 LYS A 38 12.421 43.078 -19.533 1.00 61.51 H new ATOM 0 HD2 LYS A 38 14.752 42.630 -18.847 1.00 31.21 H new ATOM 0 HD3 LYS A 38 15.313 43.998 -19.789 1.00 31.21 H new ATOM 0 HE2 LYS A 38 13.143 44.657 -17.880 1.00 34.00 H new ATOM 0 HE3 LYS A 38 14.612 44.083 -17.117 1.00 34.00 H new ATOM 0 HZ1 LYS A 38 14.288 46.595 -17.705 1.00 44.41 H new ATOM 0 HZ2 LYS A 38 15.813 45.864 -17.851 1.00 44.41 H new ATOM 0 HZ3 LYS A 38 14.855 46.111 -19.230 1.00 44.41 H new ATOM 587 N MET A 39 14.147 40.298 -23.215 1.00 53.41 N ATOM 588 CA MET A 39 13.772 39.398 -24.300 1.00 1.25 C ATOM 589 C MET A 39 14.339 38.001 -24.067 1.00 0.31 C ATOM 590 O MET A 39 13.674 36.998 -24.328 1.00 41.23 O ATOM 591 CB MET A 39 14.268 39.946 -25.639 1.00 75.45 C ATOM 592 CG MET A 39 13.434 41.101 -26.170 1.00 34.33 C ATOM 593 SD MET A 39 13.373 41.144 -27.971 1.00 41.13 S ATOM 594 CE MET A 39 11.989 42.249 -28.237 1.00 34.10 C ATOM 0 H MET A 39 14.898 40.948 -23.447 1.00 53.41 H new ATOM 0 HA MET A 39 12.684 39.330 -24.324 1.00 1.25 H new ATOM 0 HB2 MET A 39 15.301 40.276 -25.527 1.00 75.45 H new ATOM 0 HB3 MET A 39 14.268 39.141 -26.374 1.00 75.45 H new ATOM 0 HG2 MET A 39 12.420 41.022 -25.778 1.00 34.33 H new ATOM 0 HG3 MET A 39 13.846 42.041 -25.802 1.00 34.33 H new ATOM 0 HE1 MET A 39 11.825 42.376 -29.307 1.00 34.10 H new ATOM 0 HE2 MET A 39 11.094 41.827 -27.781 1.00 34.10 H new ATOM 0 HE3 MET A 39 12.204 43.217 -27.785 1.00 34.10 H new ATOM 604 N THR A 40 15.572 37.942 -23.574 1.00 44.31 N ATOM 605 CA THR A 40 16.229 36.669 -23.308 1.00 20.32 C ATOM 606 C THR A 40 15.377 35.790 -22.399 1.00 2.54 C ATOM 607 O THR A 40 15.303 34.575 -22.584 1.00 61.00 O ATOM 608 CB THR A 40 17.610 36.874 -22.657 1.00 61.14 C ATOM 609 OG1 THR A 40 18.353 37.858 -23.386 1.00 24.44 O ATOM 610 CG2 THR A 40 18.389 35.568 -22.619 1.00 5.02 C ATOM 0 H THR A 40 16.136 38.762 -23.351 1.00 44.31 H new ATOM 0 HA THR A 40 16.359 36.174 -24.270 1.00 20.32 H new ATOM 0 HB THR A 40 17.458 37.218 -21.634 1.00 61.14 H new ATOM 0 HG1 THR A 40 18.029 38.753 -23.151 1.00 24.44 H new ATOM 0 HG21 THR A 40 19.361 35.737 -22.155 1.00 5.02 H new ATOM 0 HG22 THR A 40 17.834 34.830 -22.040 1.00 5.02 H new ATOM 0 HG23 THR A 40 18.531 35.199 -23.635 1.00 5.02 H new ATOM 618 N LEU A 41 14.735 36.412 -21.416 1.00 53.21 N ATOM 619 CA LEU A 41 13.886 35.686 -20.477 1.00 41.43 C ATOM 620 C LEU A 41 12.578 35.266 -21.139 1.00 15.20 C ATOM 621 O LEU A 41 12.131 34.129 -20.986 1.00 75.22 O ATOM 622 CB LEU A 41 13.595 36.551 -19.249 1.00 63.41 C ATOM 623 CG LEU A 41 13.660 35.839 -17.897 1.00 72.02 C ATOM 624 CD1 LEU A 41 12.811 34.577 -17.917 1.00 42.12 C ATOM 625 CD2 LEU A 41 15.101 35.509 -17.536 1.00 52.14 C ATOM 0 H LEU A 41 14.786 37.417 -21.248 1.00 53.21 H new ATOM 0 HA LEU A 41 14.418 34.788 -20.163 1.00 41.43 H new ATOM 0 HB2 LEU A 41 14.304 37.379 -19.236 1.00 63.41 H new ATOM 0 HB3 LEU A 41 12.601 36.984 -19.362 1.00 63.41 H new ATOM 0 HG LEU A 41 13.261 36.509 -17.136 1.00 72.02 H new ATOM 0 HD11 LEU A 41 12.869 34.084 -16.947 1.00 42.12 H new ATOM 0 HD12 LEU A 41 11.774 34.839 -18.129 1.00 42.12 H new ATOM 0 HD13 LEU A 41 13.180 33.903 -18.690 1.00 42.12 H new ATOM 0 HD21 LEU A 41 15.128 35.003 -16.571 1.00 52.14 H new ATOM 0 HD22 LEU A 41 15.527 34.858 -18.299 1.00 52.14 H new ATOM 0 HD23 LEU A 41 15.682 36.430 -17.479 1.00 52.14 H new ATOM 637 N CYS A 42 11.970 36.190 -21.875 1.00 72.22 N ATOM 638 CA CYS A 42 10.713 35.915 -22.562 1.00 73.31 C ATOM 639 C CYS A 42 10.848 34.705 -23.480 1.00 65.35 C ATOM 640 O CYS A 42 9.971 33.842 -23.520 1.00 70.30 O ATOM 641 CB CYS A 42 10.271 37.136 -23.370 1.00 11.15 C ATOM 642 SG CYS A 42 9.269 36.738 -24.821 1.00 51.31 S ATOM 0 H CYS A 42 12.327 37.136 -22.011 1.00 72.22 H new ATOM 0 HA CYS A 42 9.957 35.694 -21.808 1.00 73.31 H new ATOM 0 HB2 CYS A 42 9.702 37.802 -22.721 1.00 11.15 H new ATOM 0 HB3 CYS A 42 11.156 37.685 -23.692 1.00 11.15 H new ATOM 0 HG CYS A 42 8.943 37.835 -25.437 1.00 51.31 H new ATOM 648 N ILE A 43 11.952 34.649 -24.218 1.00 42.21 N ATOM 649 CA ILE A 43 12.202 33.545 -25.137 1.00 11.43 C ATOM 650 C ILE A 43 12.638 32.293 -24.385 1.00 22.52 C ATOM 651 O ILE A 43 12.387 31.172 -24.827 1.00 71.40 O ATOM 652 CB ILE A 43 13.280 33.909 -26.174 1.00 42.33 C ATOM 653 CG1 ILE A 43 12.794 35.053 -27.067 1.00 63.35 C ATOM 654 CG2 ILE A 43 13.641 32.692 -27.012 1.00 61.04 C ATOM 655 CD1 ILE A 43 13.916 35.818 -27.733 1.00 43.12 C ATOM 0 H ILE A 43 12.688 35.355 -24.197 1.00 42.21 H new ATOM 0 HA ILE A 43 11.264 33.347 -25.655 1.00 11.43 H new ATOM 0 HB ILE A 43 14.174 34.240 -25.646 1.00 42.33 H new ATOM 0 HG12 ILE A 43 12.135 34.649 -27.835 1.00 63.35 H new ATOM 0 HG13 ILE A 43 12.200 35.743 -26.468 1.00 63.35 H new ATOM 0 HG21 ILE A 43 14.404 32.965 -27.741 1.00 61.04 H new ATOM 0 HG22 ILE A 43 14.024 31.904 -26.363 1.00 61.04 H new ATOM 0 HG23 ILE A 43 12.754 32.333 -27.533 1.00 61.04 H new ATOM 0 HD11 ILE A 43 13.498 36.613 -28.350 1.00 43.12 H new ATOM 0 HD12 ILE A 43 14.563 36.252 -26.971 1.00 43.12 H new ATOM 0 HD13 ILE A 43 14.497 35.141 -28.359 1.00 43.12 H new ATOM 667 N SER A 44 13.292 32.491 -23.244 1.00 72.25 N ATOM 668 CA SER A 44 13.765 31.377 -22.431 1.00 62.01 C ATOM 669 C SER A 44 12.594 30.613 -21.822 1.00 74.42 C ATOM 670 O SER A 44 12.472 29.400 -21.995 1.00 34.21 O ATOM 671 CB SER A 44 14.689 31.884 -21.322 1.00 43.23 C ATOM 672 OG SER A 44 16.051 31.717 -21.677 1.00 40.33 O ATOM 0 H SER A 44 13.506 33.412 -22.862 1.00 72.25 H new ATOM 0 HA SER A 44 14.322 30.699 -23.077 1.00 62.01 H new ATOM 0 HB2 SER A 44 14.487 32.938 -21.129 1.00 43.23 H new ATOM 0 HB3 SER A 44 14.482 31.345 -20.397 1.00 43.23 H new ATOM 0 HG SER A 44 16.380 32.534 -22.106 1.00 40.33 H new ATOM 678 N VAL A 45 11.733 31.331 -21.108 1.00 42.41 N ATOM 679 CA VAL A 45 10.570 30.723 -20.474 1.00 20.23 C ATOM 680 C VAL A 45 9.710 29.986 -21.494 1.00 50.14 C ATOM 681 O VAL A 45 9.252 28.870 -21.247 1.00 24.42 O ATOM 682 CB VAL A 45 9.706 31.777 -19.756 1.00 62.02 C ATOM 683 CG1 VAL A 45 8.312 31.232 -19.487 1.00 72.24 C ATOM 684 CG2 VAL A 45 10.373 32.221 -18.463 1.00 33.42 C ATOM 0 H VAL A 45 11.819 32.336 -20.954 1.00 42.41 H new ATOM 0 HA VAL A 45 10.947 30.012 -19.739 1.00 20.23 H new ATOM 0 HB VAL A 45 9.610 32.647 -20.406 1.00 62.02 H new ATOM 0 HG11 VAL A 45 7.716 31.991 -18.979 1.00 72.24 H new ATOM 0 HG12 VAL A 45 7.836 30.969 -20.431 1.00 72.24 H new ATOM 0 HG13 VAL A 45 8.383 30.345 -18.857 1.00 72.24 H new ATOM 0 HG21 VAL A 45 9.749 32.966 -17.969 1.00 33.42 H new ATOM 0 HG22 VAL A 45 10.501 31.361 -17.806 1.00 33.42 H new ATOM 0 HG23 VAL A 45 11.348 32.655 -18.687 1.00 33.42 H new ATOM 694 N LEU A 46 9.494 30.617 -22.643 1.00 52.31 N ATOM 695 CA LEU A 46 8.688 30.022 -23.704 1.00 23.34 C ATOM 696 C LEU A 46 9.261 28.674 -24.131 1.00 31.15 C ATOM 697 O LEU A 46 8.519 27.754 -24.476 1.00 71.55 O ATOM 698 CB LEU A 46 8.618 30.963 -24.907 1.00 52.13 C ATOM 699 CG LEU A 46 7.441 31.939 -24.928 1.00 75.44 C ATOM 700 CD1 LEU A 46 7.672 33.032 -25.959 1.00 41.42 C ATOM 701 CD2 LEU A 46 6.141 31.200 -25.214 1.00 41.14 C ATOM 0 H LEU A 46 9.866 31.541 -22.864 1.00 52.31 H new ATOM 0 HA LEU A 46 7.682 29.863 -23.317 1.00 23.34 H new ATOM 0 HB2 LEU A 46 9.543 31.539 -24.947 1.00 52.13 H new ATOM 0 HB3 LEU A 46 8.580 30.359 -25.814 1.00 52.13 H new ATOM 0 HG LEU A 46 7.363 32.405 -23.946 1.00 75.44 H new ATOM 0 HD11 LEU A 46 6.824 33.717 -25.959 1.00 41.42 H new ATOM 0 HD12 LEU A 46 8.581 33.580 -25.711 1.00 41.42 H new ATOM 0 HD13 LEU A 46 7.777 32.584 -26.947 1.00 41.42 H new ATOM 0 HD21 LEU A 46 5.314 31.910 -25.225 1.00 41.14 H new ATOM 0 HD22 LEU A 46 6.209 30.706 -26.183 1.00 41.14 H new ATOM 0 HD23 LEU A 46 5.968 30.454 -24.438 1.00 41.14 H new ATOM 713 N LEU A 47 10.584 28.564 -24.102 1.00 64.50 N ATOM 714 CA LEU A 47 11.257 27.327 -24.484 1.00 24.11 C ATOM 715 C LEU A 47 10.881 26.189 -23.541 1.00 24.43 C ATOM 716 O LEU A 47 10.600 25.074 -23.979 1.00 35.22 O ATOM 717 CB LEU A 47 12.774 27.527 -24.481 1.00 71.34 C ATOM 718 CG LEU A 47 13.587 26.506 -25.278 1.00 72.42 C ATOM 719 CD1 LEU A 47 13.469 26.776 -26.770 1.00 54.20 C ATOM 720 CD2 LEU A 47 15.045 26.529 -24.844 1.00 1.00 C ATOM 0 H LEU A 47 11.212 29.316 -23.818 1.00 64.50 H new ATOM 0 HA LEU A 47 10.933 27.062 -25.491 1.00 24.11 H new ATOM 0 HB2 LEU A 47 12.990 28.520 -24.874 1.00 71.34 H new ATOM 0 HB3 LEU A 47 13.121 27.511 -23.448 1.00 71.34 H new ATOM 0 HG LEU A 47 13.184 25.513 -25.077 1.00 72.42 H new ATOM 0 HD11 LEU A 47 14.054 26.039 -27.320 1.00 54.20 H new ATOM 0 HD12 LEU A 47 12.424 26.707 -27.071 1.00 54.20 H new ATOM 0 HD13 LEU A 47 13.845 27.775 -26.990 1.00 54.20 H new ATOM 0 HD21 LEU A 47 15.608 25.796 -25.422 1.00 1.00 H new ATOM 0 HD22 LEU A 47 15.460 27.522 -25.015 1.00 1.00 H new ATOM 0 HD23 LEU A 47 15.113 26.285 -23.784 1.00 1.00 H new ATOM 732 N ALA A 48 10.878 26.479 -22.244 1.00 34.43 N ATOM 733 CA ALA A 48 10.532 25.481 -21.239 1.00 30.21 C ATOM 734 C ALA A 48 9.171 24.857 -21.530 1.00 65.32 C ATOM 735 O ALA A 48 8.990 23.646 -21.394 1.00 2.15 O ATOM 736 CB ALA A 48 10.543 26.104 -19.851 1.00 33.11 C ATOM 0 H ALA A 48 11.111 27.397 -21.865 1.00 34.43 H new ATOM 0 HA ALA A 48 11.281 24.690 -21.276 1.00 30.21 H new ATOM 0 HB1 ALA A 48 10.283 25.348 -19.111 1.00 33.11 H new ATOM 0 HB2 ALA A 48 11.537 26.496 -19.636 1.00 33.11 H new ATOM 0 HB3 ALA A 48 9.817 26.916 -19.811 1.00 33.11 H new ATOM 742 N LEU A 49 8.218 25.690 -21.931 1.00 74.34 N ATOM 743 CA LEU A 49 6.872 25.219 -22.242 1.00 11.43 C ATOM 744 C LEU A 49 6.898 24.209 -23.384 1.00 42.12 C ATOM 745 O LEU A 49 6.293 23.140 -23.297 1.00 21.01 O ATOM 746 CB LEU A 49 5.970 26.399 -22.610 1.00 3.05 C ATOM 747 CG LEU A 49 4.525 26.053 -22.970 1.00 22.53 C ATOM 748 CD1 LEU A 49 3.862 25.286 -21.836 1.00 55.30 C ATOM 749 CD2 LEU A 49 3.739 27.314 -23.295 1.00 3.52 C ATOM 0 H LEU A 49 8.351 26.694 -22.049 1.00 74.34 H new ATOM 0 HA LEU A 49 6.473 24.726 -21.356 1.00 11.43 H new ATOM 0 HB2 LEU A 49 5.958 27.096 -21.772 1.00 3.05 H new ATOM 0 HB3 LEU A 49 6.418 26.923 -23.454 1.00 3.05 H new ATOM 0 HG LEU A 49 4.534 25.417 -23.855 1.00 22.53 H new ATOM 0 HD11 LEU A 49 2.834 25.048 -22.110 1.00 55.30 H new ATOM 0 HD12 LEU A 49 4.411 24.363 -21.651 1.00 55.30 H new ATOM 0 HD13 LEU A 49 3.865 25.897 -20.933 1.00 55.30 H new ATOM 0 HD21 LEU A 49 2.713 27.048 -23.549 1.00 3.52 H new ATOM 0 HD22 LEU A 49 3.739 27.976 -22.429 1.00 3.52 H new ATOM 0 HD23 LEU A 49 4.201 27.823 -24.141 1.00 3.52 H new ATOM 761 N THR A 50 7.605 24.554 -24.456 1.00 62.41 N ATOM 762 CA THR A 50 7.712 23.677 -25.616 1.00 13.24 C ATOM 763 C THR A 50 8.177 22.283 -25.210 1.00 44.44 C ATOM 764 O THR A 50 7.635 21.278 -25.670 1.00 50.52 O ATOM 765 CB THR A 50 8.686 24.247 -26.663 1.00 44.42 C ATOM 766 OG1 THR A 50 8.647 25.679 -26.641 1.00 72.45 O ATOM 767 CG2 THR A 50 8.337 23.746 -28.057 1.00 1.55 C ATOM 0 H THR A 50 8.112 25.435 -24.545 1.00 62.41 H new ATOM 0 HA THR A 50 6.717 23.611 -26.056 1.00 13.24 H new ATOM 0 HB THR A 50 9.691 23.908 -26.414 1.00 44.42 H new ATOM 0 HG1 THR A 50 9.271 26.034 -27.309 1.00 72.45 H new ATOM 0 HG21 THR A 50 9.039 24.162 -28.780 1.00 1.55 H new ATOM 0 HG22 THR A 50 8.397 22.658 -28.078 1.00 1.55 H new ATOM 0 HG23 THR A 50 7.325 24.059 -28.313 1.00 1.55 H new ATOM 775 N VAL A 51 9.186 22.229 -24.346 1.00 13.42 N ATOM 776 CA VAL A 51 9.723 20.958 -23.877 1.00 24.11 C ATOM 777 C VAL A 51 8.671 20.165 -23.111 1.00 14.15 C ATOM 778 O VAL A 51 8.571 18.946 -23.251 1.00 43.15 O ATOM 779 CB VAL A 51 10.952 21.168 -22.972 1.00 31.42 C ATOM 780 CG1 VAL A 51 11.549 19.830 -22.563 1.00 61.44 C ATOM 781 CG2 VAL A 51 11.989 22.032 -23.673 1.00 73.24 C ATOM 0 H VAL A 51 9.648 23.051 -23.957 1.00 13.42 H new ATOM 0 HA VAL A 51 10.024 20.396 -24.761 1.00 24.11 H new ATOM 0 HB VAL A 51 10.631 21.687 -22.069 1.00 31.42 H new ATOM 0 HG11 VAL A 51 12.416 19.998 -21.924 1.00 61.44 H new ATOM 0 HG12 VAL A 51 10.804 19.250 -22.018 1.00 61.44 H new ATOM 0 HG13 VAL A 51 11.856 19.281 -23.453 1.00 61.44 H new ATOM 0 HG21 VAL A 51 12.850 22.170 -23.019 1.00 73.24 H new ATOM 0 HG22 VAL A 51 12.307 21.543 -24.594 1.00 73.24 H new ATOM 0 HG23 VAL A 51 11.554 23.003 -23.909 1.00 73.24 H new ATOM 791 N PHE A 52 7.885 20.865 -22.299 1.00 3.52 N ATOM 792 CA PHE A 52 6.839 20.227 -21.509 1.00 11.22 C ATOM 793 C PHE A 52 5.923 19.388 -22.395 1.00 41.45 C ATOM 794 O PHE A 52 5.741 18.192 -22.164 1.00 15.52 O ATOM 795 CB PHE A 52 6.019 21.282 -20.762 1.00 70.44 C ATOM 796 CG PHE A 52 4.980 20.697 -19.848 1.00 64.13 C ATOM 797 CD1 PHE A 52 5.346 19.853 -18.812 1.00 5.41 C ATOM 798 CD2 PHE A 52 3.638 20.990 -20.026 1.00 10.40 C ATOM 799 CE1 PHE A 52 4.393 19.314 -17.969 1.00 24.13 C ATOM 800 CE2 PHE A 52 2.681 20.454 -19.186 1.00 15.32 C ATOM 801 CZ PHE A 52 3.058 19.614 -18.157 1.00 5.13 C ATOM 0 H PHE A 52 7.953 21.875 -22.171 1.00 3.52 H new ATOM 0 HA PHE A 52 7.317 19.568 -20.784 1.00 11.22 H new ATOM 0 HB2 PHE A 52 6.693 21.909 -20.178 1.00 70.44 H new ATOM 0 HB3 PHE A 52 5.529 21.931 -21.488 1.00 70.44 H new ATOM 0 HD1 PHE A 52 6.388 19.614 -18.662 1.00 5.41 H new ATOM 0 HD2 PHE A 52 3.336 21.645 -20.830 1.00 10.40 H new ATOM 0 HE1 PHE A 52 4.692 18.659 -17.164 1.00 24.13 H new ATOM 0 HE2 PHE A 52 1.638 20.692 -19.334 1.00 15.32 H new ATOM 0 HZ PHE A 52 2.311 19.193 -17.501 1.00 5.13 H new ATOM 811 N LEU A 53 5.349 20.024 -23.411 1.00 61.31 N ATOM 812 CA LEU A 53 4.451 19.338 -24.334 1.00 21.54 C ATOM 813 C LEU A 53 5.099 18.070 -24.882 1.00 74.00 C ATOM 814 O LEU A 53 4.576 16.968 -24.708 1.00 42.04 O ATOM 815 CB LEU A 53 4.065 20.266 -25.486 1.00 51.31 C ATOM 816 CG LEU A 53 2.567 20.498 -25.688 1.00 1.52 C ATOM 817 CD1 LEU A 53 2.276 21.981 -25.864 1.00 34.35 C ATOM 818 CD2 LEU A 53 2.061 19.708 -26.886 1.00 25.02 C ATOM 0 H LEU A 53 5.489 21.013 -23.616 1.00 61.31 H new ATOM 0 HA LEU A 53 3.552 19.057 -23.786 1.00 21.54 H new ATOM 0 HB2 LEU A 53 4.543 21.232 -25.324 1.00 51.31 H new ATOM 0 HB3 LEU A 53 4.477 19.857 -26.409 1.00 51.31 H new ATOM 0 HG LEU A 53 2.042 20.148 -24.799 1.00 1.52 H new ATOM 0 HD11 LEU A 53 1.205 22.127 -26.007 1.00 34.35 H new ATOM 0 HD12 LEU A 53 2.601 22.523 -24.976 1.00 34.35 H new ATOM 0 HD13 LEU A 53 2.813 22.356 -26.735 1.00 34.35 H new ATOM 0 HD21 LEU A 53 0.993 19.885 -27.014 1.00 25.02 H new ATOM 0 HD22 LEU A 53 2.592 20.027 -27.783 1.00 25.02 H new ATOM 0 HD23 LEU A 53 2.235 18.645 -26.720 1.00 25.02 H new ATOM 830 N LEU A 54 6.239 18.233 -25.543 1.00 24.03 N ATOM 831 CA LEU A 54 6.961 17.101 -26.115 1.00 55.41 C ATOM 832 C LEU A 54 7.202 16.022 -25.065 1.00 2.13 C ATOM 833 O LEU A 54 7.132 14.828 -25.358 1.00 62.14 O ATOM 834 CB LEU A 54 8.295 17.566 -26.702 1.00 74.41 C ATOM 835 CG LEU A 54 8.509 17.281 -28.189 1.00 22.51 C ATOM 836 CD1 LEU A 54 8.431 18.567 -28.996 1.00 1.21 C ATOM 837 CD2 LEU A 54 9.846 16.589 -28.412 1.00 5.31 C ATOM 0 H LEU A 54 6.684 19.138 -25.697 1.00 24.03 H new ATOM 0 HA LEU A 54 6.349 16.676 -26.911 1.00 55.41 H new ATOM 0 HB2 LEU A 54 8.385 18.640 -26.542 1.00 74.41 H new ATOM 0 HB3 LEU A 54 9.101 17.092 -26.142 1.00 74.41 H new ATOM 0 HG LEU A 54 7.716 16.615 -28.529 1.00 22.51 H new ATOM 0 HD11 LEU A 54 8.586 18.344 -30.052 1.00 1.21 H new ATOM 0 HD12 LEU A 54 7.450 19.022 -28.861 1.00 1.21 H new ATOM 0 HD13 LEU A 54 9.202 19.258 -28.654 1.00 1.21 H new ATOM 0 HD21 LEU A 54 9.982 16.394 -29.476 1.00 5.31 H new ATOM 0 HD22 LEU A 54 10.652 17.231 -28.055 1.00 5.31 H new ATOM 0 HD23 LEU A 54 9.864 15.646 -27.865 1.00 5.31 H new ATOM 849 N LEU A 55 7.485 16.450 -23.839 1.00 73.41 N ATOM 850 CA LEU A 55 7.735 15.520 -22.743 1.00 75.31 C ATOM 851 C LEU A 55 6.635 14.466 -22.662 1.00 30.32 C ATOM 852 O LEU A 55 6.880 13.281 -22.889 1.00 71.53 O ATOM 853 CB LEU A 55 7.830 16.277 -21.417 1.00 72.04 C ATOM 854 CG LEU A 55 9.079 16.006 -20.578 1.00 51.30 C ATOM 855 CD1 LEU A 55 9.487 17.254 -19.810 1.00 52.01 C ATOM 856 CD2 LEU A 55 8.839 14.845 -19.624 1.00 42.20 C ATOM 0 H LEU A 55 7.547 17.434 -23.579 1.00 73.41 H new ATOM 0 HA LEU A 55 8.682 15.016 -22.935 1.00 75.31 H new ATOM 0 HB2 LEU A 55 7.783 17.345 -21.627 1.00 72.04 H new ATOM 0 HB3 LEU A 55 6.954 16.031 -20.818 1.00 72.04 H new ATOM 0 HG LEU A 55 9.893 15.735 -21.250 1.00 51.30 H new ATOM 0 HD11 LEU A 55 10.378 17.042 -19.218 1.00 52.01 H new ATOM 0 HD12 LEU A 55 9.701 18.060 -20.512 1.00 52.01 H new ATOM 0 HD13 LEU A 55 8.675 17.556 -19.148 1.00 52.01 H new ATOM 0 HD21 LEU A 55 9.738 14.666 -19.035 1.00 42.20 H new ATOM 0 HD22 LEU A 55 8.011 15.087 -18.958 1.00 42.20 H new ATOM 0 HD23 LEU A 55 8.595 13.949 -20.195 1.00 42.20 H new ATOM 868 N ILE A 56 5.424 14.906 -22.338 1.00 74.45 N ATOM 869 CA ILE A 56 4.286 14.000 -22.231 1.00 42.41 C ATOM 870 C ILE A 56 3.845 13.507 -23.605 1.00 21.53 C ATOM 871 O ILE A 56 3.181 12.477 -23.722 1.00 23.54 O ATOM 872 CB ILE A 56 3.092 14.678 -21.533 1.00 72.45 C ATOM 873 CG1 ILE A 56 3.572 15.499 -20.335 1.00 53.23 C ATOM 874 CG2 ILE A 56 2.074 13.635 -21.094 1.00 43.24 C ATOM 875 CD1 ILE A 56 3.623 16.987 -20.604 1.00 60.13 C ATOM 0 H ILE A 56 5.205 15.883 -22.145 1.00 74.45 H new ATOM 0 HA ILE A 56 4.613 13.151 -21.631 1.00 42.41 H new ATOM 0 HB ILE A 56 2.611 15.352 -22.241 1.00 72.45 H new ATOM 0 HG12 ILE A 56 2.910 15.313 -19.489 1.00 53.23 H new ATOM 0 HG13 ILE A 56 4.565 15.156 -20.044 1.00 53.23 H new ATOM 0 HG21 ILE A 56 1.236 14.129 -20.602 1.00 43.24 H new ATOM 0 HG22 ILE A 56 1.713 13.089 -21.966 1.00 43.24 H new ATOM 0 HG23 ILE A 56 2.543 12.939 -20.399 1.00 43.24 H new ATOM 0 HD11 ILE A 56 3.972 17.506 -19.711 1.00 60.13 H new ATOM 0 HD12 ILE A 56 4.307 17.184 -21.429 1.00 60.13 H new ATOM 0 HD13 ILE A 56 2.627 17.344 -20.865 1.00 60.13 H new ATOM 1056 N SER A 69 -4.141 14.253 -15.851 1.00 14.13 N ATOM 1057 CA SER A 69 -3.459 15.205 -14.983 1.00 4.42 C ATOM 1058 C SER A 69 -2.570 16.142 -15.796 1.00 74.13 C ATOM 1059 O SER A 69 -2.555 17.352 -15.572 1.00 51.33 O ATOM 1060 CB SER A 69 -2.619 14.466 -13.940 1.00 23.33 C ATOM 1061 OG SER A 69 -2.349 13.137 -14.351 1.00 61.24 O ATOM 0 HA SER A 69 -4.216 15.801 -14.474 1.00 4.42 H new ATOM 0 HB2 SER A 69 -1.681 14.998 -13.780 1.00 23.33 H new ATOM 0 HB3 SER A 69 -3.146 14.455 -12.986 1.00 23.33 H new ATOM 0 HG SER A 69 -2.870 12.931 -15.155 1.00 61.24 H new ATOM 1067 N VAL A 70 -1.831 15.572 -16.743 1.00 3.24 N ATOM 1068 CA VAL A 70 -0.940 16.355 -17.591 1.00 61.52 C ATOM 1069 C VAL A 70 -1.719 17.375 -18.413 1.00 35.00 C ATOM 1070 O VAL A 70 -1.170 18.384 -18.852 1.00 10.42 O ATOM 1071 CB VAL A 70 -0.136 15.451 -18.544 1.00 64.34 C ATOM 1072 CG1 VAL A 70 0.656 14.417 -17.759 1.00 23.32 C ATOM 1073 CG2 VAL A 70 -1.061 14.777 -19.547 1.00 2.14 C ATOM 0 H VAL A 70 -1.832 14.572 -16.942 1.00 3.24 H new ATOM 0 HA VAL A 70 -0.250 16.878 -16.928 1.00 61.52 H new ATOM 0 HB VAL A 70 0.570 16.072 -19.096 1.00 64.34 H new ATOM 0 HG11 VAL A 70 1.217 13.788 -18.450 1.00 23.32 H new ATOM 0 HG12 VAL A 70 1.347 14.923 -17.085 1.00 23.32 H new ATOM 0 HG13 VAL A 70 -0.028 13.798 -17.179 1.00 23.32 H new ATOM 0 HG21 VAL A 70 -0.476 14.142 -20.212 1.00 2.14 H new ATOM 0 HG22 VAL A 70 -1.793 14.168 -19.015 1.00 2.14 H new ATOM 0 HG23 VAL A 70 -1.578 15.537 -20.133 1.00 2.14 H new ATOM 1083 N GLY A 71 -3.005 17.104 -18.617 1.00 52.43 N ATOM 1084 CA GLY A 71 -3.840 18.009 -19.386 1.00 35.22 C ATOM 1085 C GLY A 71 -4.242 19.239 -18.597 1.00 1.15 C ATOM 1086 O GLY A 71 -4.070 20.365 -19.062 1.00 14.33 O ATOM 0 H GLY A 71 -3.483 16.275 -18.264 1.00 52.43 H new ATOM 0 HA2 GLY A 71 -3.305 18.316 -20.285 1.00 35.22 H new ATOM 0 HA3 GLY A 71 -4.736 17.482 -19.713 1.00 35.22 H new ATOM 1090 N GLU A 72 -4.779 19.023 -17.400 1.00 12.42 N ATOM 1091 CA GLU A 72 -5.208 20.125 -16.546 1.00 73.02 C ATOM 1092 C GLU A 72 -4.066 21.109 -16.312 1.00 24.22 C ATOM 1093 O GLU A 72 -4.197 22.304 -16.576 1.00 12.22 O ATOM 1094 CB GLU A 72 -5.720 19.592 -15.206 1.00 63.22 C ATOM 1095 CG GLU A 72 -7.065 18.892 -15.303 1.00 61.11 C ATOM 1096 CD GLU A 72 -8.220 19.865 -15.440 1.00 71.43 C ATOM 1097 OE1 GLU A 72 -8.036 21.056 -15.113 1.00 63.54 O ATOM 1098 OE2 GLU A 72 -9.309 19.434 -15.875 1.00 42.12 O ATOM 0 H GLU A 72 -4.927 18.096 -17.000 1.00 12.42 H new ATOM 0 HA GLU A 72 -6.018 20.650 -17.053 1.00 73.02 H new ATOM 0 HB2 GLU A 72 -4.987 18.897 -14.797 1.00 63.22 H new ATOM 0 HB3 GLU A 72 -5.801 20.420 -14.502 1.00 63.22 H new ATOM 0 HG2 GLU A 72 -7.059 18.218 -16.160 1.00 61.11 H new ATOM 0 HG3 GLU A 72 -7.216 18.278 -14.415 1.00 61.11 H new ATOM 1105 N TYR A 73 -2.945 20.597 -15.814 1.00 53.11 N ATOM 1106 CA TYR A 73 -1.780 21.430 -15.541 1.00 31.11 C ATOM 1107 C TYR A 73 -1.394 22.246 -16.770 1.00 45.34 C ATOM 1108 O TYR A 73 -1.121 23.444 -16.675 1.00 22.30 O ATOM 1109 CB TYR A 73 -0.600 20.563 -15.099 1.00 0.13 C ATOM 1110 CG TYR A 73 -0.857 19.796 -13.821 1.00 72.14 C ATOM 1111 CD1 TYR A 73 -1.378 20.430 -12.700 1.00 55.03 C ATOM 1112 CD2 TYR A 73 -0.578 18.438 -13.735 1.00 71.32 C ATOM 1113 CE1 TYR A 73 -1.615 19.733 -11.531 1.00 5.52 C ATOM 1114 CE2 TYR A 73 -0.812 17.733 -12.571 1.00 34.15 C ATOM 1115 CZ TYR A 73 -1.330 18.385 -11.471 1.00 54.11 C ATOM 1116 OH TYR A 73 -1.564 17.687 -10.309 1.00 22.25 O ATOM 0 H TYR A 73 -2.819 19.610 -15.591 1.00 53.11 H new ATOM 0 HA TYR A 73 -2.038 22.119 -14.737 1.00 31.11 H new ATOM 0 HB2 TYR A 73 -0.361 19.857 -15.894 1.00 0.13 H new ATOM 0 HB3 TYR A 73 0.275 21.198 -14.962 1.00 0.13 H new ATOM 0 HD1 TYR A 73 -1.602 21.486 -12.743 1.00 55.03 H new ATOM 0 HD2 TYR A 73 -0.171 17.925 -14.594 1.00 71.32 H new ATOM 0 HE1 TYR A 73 -2.021 20.241 -10.669 1.00 5.52 H new ATOM 0 HE2 TYR A 73 -0.591 16.677 -12.522 1.00 34.15 H new ATOM 0 HH TYR A 73 -1.311 16.749 -10.434 1.00 22.25 H new ATOM 1126 N LEU A 74 -1.373 21.590 -17.925 1.00 43.12 N ATOM 1127 CA LEU A 74 -1.021 22.253 -19.176 1.00 5.41 C ATOM 1128 C LEU A 74 -1.928 23.453 -19.430 1.00 44.12 C ATOM 1129 O LEU A 74 -1.458 24.534 -19.785 1.00 34.00 O ATOM 1130 CB LEU A 74 -1.118 21.269 -20.343 1.00 51.40 C ATOM 1131 CG LEU A 74 -0.798 21.836 -21.727 1.00 24.52 C ATOM 1132 CD1 LEU A 74 0.402 22.767 -21.658 1.00 2.44 C ATOM 1133 CD2 LEU A 74 -0.544 20.709 -22.718 1.00 40.32 C ATOM 0 H LEU A 74 -1.596 20.599 -18.021 1.00 43.12 H new ATOM 0 HA LEU A 74 0.006 22.608 -19.094 1.00 5.41 H new ATOM 0 HB2 LEU A 74 -0.441 20.437 -20.148 1.00 51.40 H new ATOM 0 HB3 LEU A 74 -2.128 20.860 -20.364 1.00 51.40 H new ATOM 0 HG LEU A 74 -1.658 22.410 -22.071 1.00 24.52 H new ATOM 0 HD11 LEU A 74 0.615 23.161 -22.652 1.00 2.44 H new ATOM 0 HD12 LEU A 74 0.184 23.592 -20.980 1.00 2.44 H new ATOM 0 HD13 LEU A 74 1.269 22.217 -21.293 1.00 2.44 H new ATOM 0 HD21 LEU A 74 -0.318 21.130 -23.698 1.00 40.32 H new ATOM 0 HD22 LEU A 74 0.300 20.108 -22.378 1.00 40.32 H new ATOM 0 HD23 LEU A 74 -1.432 20.080 -22.789 1.00 40.32 H new ATOM 1145 N MET A 75 -3.228 23.255 -19.244 1.00 75.32 N ATOM 1146 CA MET A 75 -4.201 24.322 -19.450 1.00 61.22 C ATOM 1147 C MET A 75 -3.821 25.565 -18.652 1.00 35.23 C ATOM 1148 O MET A 75 -3.669 26.651 -19.211 1.00 5.14 O ATOM 1149 CB MET A 75 -5.600 23.851 -19.048 1.00 61.44 C ATOM 1150 CG MET A 75 -6.575 23.781 -20.212 1.00 54.32 C ATOM 1151 SD MET A 75 -7.051 22.091 -20.621 1.00 25.44 S ATOM 1152 CE MET A 75 -5.549 21.495 -21.395 1.00 33.32 C ATOM 0 H MET A 75 -3.633 22.366 -18.951 1.00 75.32 H new ATOM 0 HA MET A 75 -4.203 24.578 -20.509 1.00 61.22 H new ATOM 0 HB2 MET A 75 -5.525 22.866 -18.588 1.00 61.44 H new ATOM 0 HB3 MET A 75 -5.998 24.527 -18.291 1.00 61.44 H new ATOM 0 HG2 MET A 75 -7.468 24.356 -19.968 1.00 54.32 H new ATOM 0 HG3 MET A 75 -6.124 24.249 -21.087 1.00 54.32 H new ATOM 0 HE1 MET A 75 -5.427 20.433 -21.182 1.00 33.32 H new ATOM 0 HE2 MET A 75 -5.611 21.644 -22.473 1.00 33.32 H new ATOM 0 HE3 MET A 75 -4.694 22.045 -21.002 1.00 33.32 H new ATOM 1162 N PHE A 76 -3.671 25.398 -17.342 1.00 14.22 N ATOM 1163 CA PHE A 76 -3.311 26.507 -16.466 1.00 51.34 C ATOM 1164 C PHE A 76 -1.962 27.099 -16.865 1.00 53.02 C ATOM 1165 O PHE A 76 -1.708 28.287 -16.663 1.00 65.13 O ATOM 1166 CB PHE A 76 -3.266 26.041 -15.010 1.00 5.23 C ATOM 1167 CG PHE A 76 -4.604 25.623 -14.472 1.00 13.41 C ATOM 1168 CD1 PHE A 76 -5.552 26.572 -14.123 1.00 72.22 C ATOM 1169 CD2 PHE A 76 -4.914 24.282 -14.315 1.00 15.24 C ATOM 1170 CE1 PHE A 76 -6.785 26.191 -13.628 1.00 73.23 C ATOM 1171 CE2 PHE A 76 -6.146 23.895 -13.821 1.00 1.23 C ATOM 1172 CZ PHE A 76 -7.082 24.851 -13.476 1.00 20.40 C ATOM 0 H PHE A 76 -3.793 24.505 -16.864 1.00 14.22 H new ATOM 0 HA PHE A 76 -4.072 27.280 -16.569 1.00 51.34 H new ATOM 0 HB2 PHE A 76 -2.572 25.204 -14.926 1.00 5.23 H new ATOM 0 HB3 PHE A 76 -2.870 26.846 -14.391 1.00 5.23 H new ATOM 0 HD1 PHE A 76 -5.325 27.621 -14.239 1.00 72.22 H new ATOM 0 HD2 PHE A 76 -4.185 23.531 -14.581 1.00 15.24 H new ATOM 0 HE1 PHE A 76 -7.515 26.940 -13.360 1.00 73.23 H new ATOM 0 HE2 PHE A 76 -6.377 22.846 -13.705 1.00 1.23 H new ATOM 0 HZ PHE A 76 -8.044 24.551 -13.088 1.00 20.40 H new ATOM 1182 N THR A 77 -1.100 26.261 -17.433 1.00 2.52 N ATOM 1183 CA THR A 77 0.223 26.699 -17.859 1.00 4.45 C ATOM 1184 C THR A 77 0.143 27.538 -19.129 1.00 72.53 C ATOM 1185 O THR A 77 0.953 28.439 -19.341 1.00 52.35 O ATOM 1186 CB THR A 77 1.159 25.501 -18.106 1.00 41.11 C ATOM 1187 OG1 THR A 77 1.423 24.823 -16.873 1.00 21.21 O ATOM 1188 CG2 THR A 77 2.469 25.957 -18.730 1.00 42.33 C ATOM 0 H THR A 77 -1.295 25.275 -17.608 1.00 2.52 H new ATOM 0 HA THR A 77 0.629 27.307 -17.051 1.00 4.45 H new ATOM 0 HB THR A 77 0.664 24.818 -18.797 1.00 41.11 H new ATOM 0 HG1 THR A 77 0.645 24.281 -16.625 1.00 21.21 H new ATOM 0 HG21 THR A 77 3.113 25.094 -18.895 1.00 42.33 H new ATOM 0 HG22 THR A 77 2.267 26.447 -19.683 1.00 42.33 H new ATOM 0 HG23 THR A 77 2.966 26.658 -18.060 1.00 42.33 H new ATOM 1196 N MET A 78 -0.840 27.234 -19.971 1.00 41.41 N ATOM 1197 CA MET A 78 -1.027 27.962 -21.221 1.00 3.31 C ATOM 1198 C MET A 78 -1.453 29.402 -20.953 1.00 14.12 C ATOM 1199 O MET A 78 -0.770 30.346 -21.348 1.00 43.51 O ATOM 1200 CB MET A 78 -2.071 27.262 -22.092 1.00 53.34 C ATOM 1201 CG MET A 78 -1.505 26.121 -22.921 1.00 60.12 C ATOM 1202 SD MET A 78 -1.142 26.609 -24.619 1.00 21.33 S ATOM 1203 CE MET A 78 0.539 27.203 -24.448 1.00 22.20 C ATOM 0 H MET A 78 -1.518 26.489 -19.811 1.00 41.41 H new ATOM 0 HA MET A 78 -0.074 27.977 -21.750 1.00 3.31 H new ATOM 0 HB2 MET A 78 -2.866 26.877 -21.453 1.00 53.34 H new ATOM 0 HB3 MET A 78 -2.525 27.994 -22.759 1.00 53.34 H new ATOM 0 HG2 MET A 78 -0.594 25.752 -22.450 1.00 60.12 H new ATOM 0 HG3 MET A 78 -2.216 25.295 -22.929 1.00 60.12 H new ATOM 0 HE1 MET A 78 0.571 28.272 -24.660 1.00 22.20 H new ATOM 0 HE2 MET A 78 0.886 27.024 -23.430 1.00 22.20 H new ATOM 0 HE3 MET A 78 1.185 26.675 -25.150 1.00 22.20 H new ATOM 1213 N VAL A 79 -2.588 29.563 -20.279 1.00 70.21 N ATOM 1214 CA VAL A 79 -3.105 30.888 -19.958 1.00 33.52 C ATOM 1215 C VAL A 79 -2.081 31.702 -19.175 1.00 55.33 C ATOM 1216 O VAL A 79 -2.039 32.929 -19.277 1.00 41.14 O ATOM 1217 CB VAL A 79 -4.408 30.798 -19.140 1.00 45.51 C ATOM 1218 CG1 VAL A 79 -5.517 30.168 -19.969 1.00 5.42 C ATOM 1219 CG2 VAL A 79 -4.178 30.014 -17.857 1.00 61.02 C ATOM 0 H VAL A 79 -3.167 28.792 -19.945 1.00 70.21 H new ATOM 0 HA VAL A 79 -3.313 31.386 -20.905 1.00 33.52 H new ATOM 0 HB VAL A 79 -4.718 31.808 -18.871 1.00 45.51 H new ATOM 0 HG11 VAL A 79 -6.429 30.113 -19.375 1.00 5.42 H new ATOM 0 HG12 VAL A 79 -5.698 30.775 -20.856 1.00 5.42 H new ATOM 0 HG13 VAL A 79 -5.220 29.164 -20.271 1.00 5.42 H new ATOM 0 HG21 VAL A 79 -5.108 29.960 -17.292 1.00 61.02 H new ATOM 0 HG22 VAL A 79 -3.843 29.006 -18.102 1.00 61.02 H new ATOM 0 HG23 VAL A 79 -3.417 30.513 -17.257 1.00 61.02 H new ATOM 1229 N LEU A 80 -1.257 31.013 -18.394 1.00 73.02 N ATOM 1230 CA LEU A 80 -0.232 31.672 -17.593 1.00 44.44 C ATOM 1231 C LEU A 80 0.824 32.318 -18.485 1.00 62.22 C ATOM 1232 O LEU A 80 1.111 33.509 -18.364 1.00 33.12 O ATOM 1233 CB LEU A 80 0.428 30.668 -16.647 1.00 44.00 C ATOM 1234 CG LEU A 80 -0.146 30.602 -15.232 1.00 31.15 C ATOM 1235 CD1 LEU A 80 0.314 29.335 -14.527 1.00 71.14 C ATOM 1236 CD2 LEU A 80 0.257 31.834 -14.434 1.00 60.32 C ATOM 0 H LEU A 80 -1.279 29.998 -18.298 1.00 73.02 H new ATOM 0 HA LEU A 80 -0.712 32.454 -17.005 1.00 44.44 H new ATOM 0 HB2 LEU A 80 0.355 29.676 -17.094 1.00 44.00 H new ATOM 0 HB3 LEU A 80 1.489 30.909 -16.576 1.00 44.00 H new ATOM 0 HG LEU A 80 -1.233 30.579 -15.303 1.00 31.15 H new ATOM 0 HD11 LEU A 80 -0.105 29.306 -13.521 1.00 71.14 H new ATOM 0 HD12 LEU A 80 -0.025 28.463 -15.087 1.00 71.14 H new ATOM 0 HD13 LEU A 80 1.402 29.327 -14.467 1.00 71.14 H new ATOM 0 HD21 LEU A 80 -0.161 31.769 -13.429 1.00 60.32 H new ATOM 0 HD22 LEU A 80 1.344 31.888 -14.372 1.00 60.32 H new ATOM 0 HD23 LEU A 80 -0.123 32.728 -14.928 1.00 60.32 H new ATOM 1248 N VAL A 81 1.399 31.524 -19.383 1.00 72.31 N ATOM 1249 CA VAL A 81 2.421 32.018 -20.298 1.00 54.02 C ATOM 1250 C VAL A 81 1.875 33.136 -21.180 1.00 33.24 C ATOM 1251 O VAL A 81 2.488 34.196 -21.309 1.00 14.13 O ATOM 1252 CB VAL A 81 2.963 30.890 -21.196 1.00 3.13 C ATOM 1253 CG1 VAL A 81 3.861 31.459 -22.284 1.00 23.31 C ATOM 1254 CG2 VAL A 81 3.709 29.859 -20.362 1.00 62.14 C ATOM 0 H VAL A 81 1.174 30.536 -19.496 1.00 72.31 H new ATOM 0 HA VAL A 81 3.234 32.407 -19.684 1.00 54.02 H new ATOM 0 HB VAL A 81 2.120 30.394 -21.677 1.00 3.13 H new ATOM 0 HG11 VAL A 81 4.235 30.648 -22.909 1.00 23.31 H new ATOM 0 HG12 VAL A 81 3.291 32.157 -22.898 1.00 23.31 H new ATOM 0 HG13 VAL A 81 4.701 31.981 -21.826 1.00 23.31 H new ATOM 0 HG21 VAL A 81 4.085 29.069 -21.012 1.00 62.14 H new ATOM 0 HG22 VAL A 81 4.545 30.339 -19.853 1.00 62.14 H new ATOM 0 HG23 VAL A 81 3.032 29.430 -19.623 1.00 62.14 H new ATOM 1264 N THR A 82 0.717 32.892 -21.785 1.00 55.34 N ATOM 1265 CA THR A 82 0.087 33.878 -22.656 1.00 22.54 C ATOM 1266 C THR A 82 -0.043 35.226 -21.956 1.00 60.41 C ATOM 1267 O THR A 82 0.321 36.262 -22.511 1.00 43.34 O ATOM 1268 CB THR A 82 -1.308 33.413 -23.114 1.00 31.23 C ATOM 1269 OG1 THR A 82 -1.255 32.046 -23.536 1.00 22.40 O ATOM 1270 CG2 THR A 82 -1.821 34.281 -24.253 1.00 2.13 C ATOM 0 H THR A 82 0.196 32.020 -21.688 1.00 55.34 H new ATOM 0 HA THR A 82 0.730 33.986 -23.529 1.00 22.54 H new ATOM 0 HB THR A 82 -1.992 33.506 -22.271 1.00 31.23 H new ATOM 0 HG1 THR A 82 -1.244 31.461 -22.750 1.00 22.40 H new ATOM 0 HG21 THR A 82 -2.808 33.933 -24.559 1.00 2.13 H new ATOM 0 HG22 THR A 82 -1.889 35.316 -23.919 1.00 2.13 H new ATOM 0 HG23 THR A 82 -1.135 34.216 -25.098 1.00 2.13 H new ATOM 1278 N PHE A 83 -0.564 35.205 -20.734 1.00 31.23 N ATOM 1279 CA PHE A 83 -0.743 36.427 -19.958 1.00 24.41 C ATOM 1280 C PHE A 83 0.566 37.205 -19.860 1.00 41.02 C ATOM 1281 O PHE A 83 0.577 38.434 -19.932 1.00 32.25 O ATOM 1282 CB PHE A 83 -1.258 36.095 -18.556 1.00 23.12 C ATOM 1283 CG PHE A 83 -2.630 36.638 -18.277 1.00 72.14 C ATOM 1284 CD1 PHE A 83 -3.671 36.414 -19.164 1.00 12.21 C ATOM 1285 CD2 PHE A 83 -2.879 37.373 -17.129 1.00 71.43 C ATOM 1286 CE1 PHE A 83 -4.935 36.912 -18.911 1.00 15.14 C ATOM 1287 CE2 PHE A 83 -4.141 37.873 -16.870 1.00 73.44 C ATOM 1288 CZ PHE A 83 -5.170 37.643 -17.763 1.00 14.23 C ATOM 0 H PHE A 83 -0.870 34.355 -20.259 1.00 31.23 H new ATOM 0 HA PHE A 83 -1.478 37.049 -20.470 1.00 24.41 H new ATOM 0 HB2 PHE A 83 -1.272 35.012 -18.430 1.00 23.12 H new ATOM 0 HB3 PHE A 83 -0.561 36.493 -17.818 1.00 23.12 H new ATOM 0 HD1 PHE A 83 -3.492 35.844 -20.063 1.00 12.21 H new ATOM 0 HD2 PHE A 83 -2.078 37.557 -16.429 1.00 71.43 H new ATOM 0 HE1 PHE A 83 -5.738 36.730 -19.610 1.00 15.14 H new ATOM 0 HE2 PHE A 83 -4.323 38.443 -15.971 1.00 73.44 H new ATOM 0 HZ PHE A 83 -6.157 38.034 -17.564 1.00 14.23 H new ATOM 1298 N SER A 84 1.668 36.480 -19.696 1.00 0.01 N ATOM 1299 CA SER A 84 2.982 37.102 -19.584 1.00 23.43 C ATOM 1300 C SER A 84 3.318 37.893 -20.844 1.00 2.31 C ATOM 1301 O SER A 84 3.801 39.024 -20.769 1.00 61.45 O ATOM 1302 CB SER A 84 4.053 36.038 -19.335 1.00 65.24 C ATOM 1303 OG SER A 84 5.166 36.585 -18.650 1.00 5.10 O ATOM 0 H SER A 84 1.677 35.462 -19.638 1.00 0.01 H new ATOM 0 HA SER A 84 2.960 37.791 -18.739 1.00 23.43 H new ATOM 0 HB2 SER A 84 3.629 35.220 -18.752 1.00 65.24 H new ATOM 0 HB3 SER A 84 4.379 35.616 -20.286 1.00 65.24 H new ATOM 0 HG SER A 84 5.835 35.885 -18.502 1.00 5.10 H new ATOM 1309 N ILE A 85 3.059 37.291 -22.000 1.00 1.43 N ATOM 1310 CA ILE A 85 3.332 37.940 -23.276 1.00 64.32 C ATOM 1311 C ILE A 85 2.583 39.263 -23.393 1.00 31.45 C ATOM 1312 O ILE A 85 3.114 40.246 -23.909 1.00 12.13 O ATOM 1313 CB ILE A 85 2.943 37.036 -24.461 1.00 43.22 C ATOM 1314 CG1 ILE A 85 3.752 35.738 -24.428 1.00 20.21 C ATOM 1315 CG2 ILE A 85 3.159 37.767 -25.778 1.00 1.31 C ATOM 1316 CD1 ILE A 85 5.165 35.893 -24.944 1.00 25.21 C ATOM 0 H ILE A 85 2.661 36.355 -22.079 1.00 1.43 H new ATOM 0 HA ILE A 85 4.405 38.130 -23.310 1.00 64.32 H new ATOM 0 HB ILE A 85 1.886 36.785 -24.376 1.00 43.22 H new ATOM 0 HG12 ILE A 85 3.787 35.367 -23.404 1.00 20.21 H new ATOM 0 HG13 ILE A 85 3.237 34.984 -25.023 1.00 20.21 H new ATOM 0 HG21 ILE A 85 2.880 37.115 -26.606 1.00 1.31 H new ATOM 0 HG22 ILE A 85 2.543 38.666 -25.800 1.00 1.31 H new ATOM 0 HG23 ILE A 85 4.209 38.044 -25.872 1.00 1.31 H new ATOM 0 HD11 ILE A 85 5.679 34.933 -24.891 1.00 25.21 H new ATOM 0 HD12 ILE A 85 5.139 36.234 -25.979 1.00 25.21 H new ATOM 0 HD13 ILE A 85 5.697 36.624 -24.334 1.00 25.21 H new ATOM 1328 N VAL A 86 1.345 39.280 -22.907 1.00 44.03 N ATOM 1329 CA VAL A 86 0.523 40.483 -22.954 1.00 31.01 C ATOM 1330 C VAL A 86 1.152 41.611 -22.144 1.00 22.34 C ATOM 1331 O VAL A 86 1.071 42.781 -22.519 1.00 31.11 O ATOM 1332 CB VAL A 86 -0.897 40.213 -22.421 1.00 42.10 C ATOM 1333 CG1 VAL A 86 -1.796 41.415 -22.665 1.00 13.32 C ATOM 1334 CG2 VAL A 86 -1.478 38.963 -23.064 1.00 20.11 C ATOM 0 H VAL A 86 0.890 38.475 -22.477 1.00 44.03 H new ATOM 0 HA VAL A 86 0.460 40.783 -24.000 1.00 31.01 H new ATOM 0 HB VAL A 86 -0.837 40.046 -21.345 1.00 42.10 H new ATOM 0 HG11 VAL A 86 -2.795 41.206 -22.282 1.00 13.32 H new ATOM 0 HG12 VAL A 86 -1.386 42.286 -22.153 1.00 13.32 H new ATOM 0 HG13 VAL A 86 -1.852 41.616 -23.735 1.00 13.32 H new ATOM 0 HG21 VAL A 86 -2.481 38.787 -22.676 1.00 20.11 H new ATOM 0 HG22 VAL A 86 -1.525 39.098 -24.145 1.00 20.11 H new ATOM 0 HG23 VAL A 86 -0.844 38.107 -22.833 1.00 20.11 H new ATOM 1344 N THR A 87 1.781 41.251 -21.029 1.00 5.41 N ATOM 1345 CA THR A 87 2.425 42.233 -20.164 1.00 72.43 C ATOM 1346 C THR A 87 3.817 42.585 -20.674 1.00 4.30 C ATOM 1347 O THR A 87 4.318 43.683 -20.431 1.00 40.32 O ATOM 1348 CB THR A 87 2.535 41.719 -18.716 1.00 63.44 C ATOM 1349 OG1 THR A 87 2.119 40.350 -18.649 1.00 41.12 O ATOM 1350 CG2 THR A 87 1.684 42.560 -17.777 1.00 71.42 C ATOM 0 H THR A 87 1.858 40.287 -20.704 1.00 5.41 H new ATOM 0 HA THR A 87 1.800 43.126 -20.178 1.00 72.43 H new ATOM 0 HB THR A 87 3.577 41.797 -18.404 1.00 63.44 H new ATOM 0 HG1 THR A 87 2.325 39.989 -17.762 1.00 41.12 H new ATOM 0 HG21 THR A 87 1.778 42.178 -16.760 1.00 71.42 H new ATOM 0 HG22 THR A 87 2.023 43.596 -17.808 1.00 71.42 H new ATOM 0 HG23 THR A 87 0.641 42.510 -18.088 1.00 71.42 H new ATOM 1358 N SER A 88 4.438 41.647 -21.382 1.00 44.53 N ATOM 1359 CA SER A 88 5.776 41.859 -21.924 1.00 73.20 C ATOM 1360 C SER A 88 5.805 43.081 -22.837 1.00 3.14 C ATOM 1361 O SER A 88 6.723 43.899 -22.769 1.00 61.30 O ATOM 1362 CB SER A 88 6.238 40.621 -22.695 1.00 51.04 C ATOM 1363 OG SER A 88 7.073 39.803 -21.894 1.00 35.10 O ATOM 0 H SER A 88 4.037 40.733 -21.594 1.00 44.53 H new ATOM 0 HA SER A 88 6.456 42.034 -21.090 1.00 73.20 H new ATOM 0 HB2 SER A 88 5.370 40.049 -23.024 1.00 51.04 H new ATOM 0 HB3 SER A 88 6.776 40.927 -23.592 1.00 51.04 H new ATOM 0 HG SER A 88 7.353 39.018 -22.409 1.00 35.10 H new ATOM 1369 N VAL A 89 4.793 43.199 -23.691 1.00 24.34 N ATOM 1370 CA VAL A 89 4.701 44.321 -24.617 1.00 24.01 C ATOM 1371 C VAL A 89 4.077 45.539 -23.945 1.00 21.44 C ATOM 1372 O VAL A 89 4.516 46.670 -24.155 1.00 71.15 O ATOM 1373 CB VAL A 89 3.872 43.954 -25.862 1.00 43.41 C ATOM 1374 CG1 VAL A 89 4.160 44.923 -26.999 1.00 60.44 C ATOM 1375 CG2 VAL A 89 4.155 42.521 -26.287 1.00 11.22 C ATOM 0 H VAL A 89 4.025 42.531 -23.760 1.00 24.34 H new ATOM 0 HA VAL A 89 5.719 44.562 -24.925 1.00 24.01 H new ATOM 0 HB VAL A 89 2.815 44.031 -25.609 1.00 43.41 H new ATOM 0 HG11 VAL A 89 3.566 44.648 -27.870 1.00 60.44 H new ATOM 0 HG12 VAL A 89 3.902 45.935 -26.688 1.00 60.44 H new ATOM 0 HG13 VAL A 89 5.219 44.880 -27.254 1.00 60.44 H new ATOM 0 HG21 VAL A 89 3.561 42.279 -27.168 1.00 11.22 H new ATOM 0 HG22 VAL A 89 5.214 42.414 -26.523 1.00 11.22 H new ATOM 0 HG23 VAL A 89 3.893 41.842 -25.475 1.00 11.22 H new ATOM 1385 N CYS A 90 3.052 45.299 -23.135 1.00 12.42 N ATOM 1386 CA CYS A 90 2.366 46.377 -22.431 1.00 11.23 C ATOM 1387 C CYS A 90 3.345 47.182 -21.583 1.00 3.32 C ATOM 1388 O CYS A 90 3.149 48.376 -21.353 1.00 72.34 O ATOM 1389 CB CYS A 90 1.254 45.810 -21.547 1.00 53.41 C ATOM 1390 SG CYS A 90 -0.345 45.659 -22.379 1.00 23.04 S ATOM 0 H CYS A 90 2.678 44.368 -22.949 1.00 12.42 H new ATOM 0 HA CYS A 90 1.926 47.041 -23.175 1.00 11.23 H new ATOM 0 HB2 CYS A 90 1.557 44.828 -21.185 1.00 53.41 H new ATOM 0 HB3 CYS A 90 1.138 46.450 -20.672 1.00 53.41 H new ATOM 0 HG CYS A 90 -0.496 44.442 -22.811 1.00 23.04 H new ATOM 1396 N VAL A 91 4.400 46.521 -21.118 1.00 64.30 N ATOM 1397 CA VAL A 91 5.411 47.174 -20.295 1.00 14.34 C ATOM 1398 C VAL A 91 6.481 47.833 -21.158 1.00 11.15 C ATOM 1399 O VAL A 91 6.866 48.979 -20.921 1.00 40.12 O ATOM 1400 CB VAL A 91 6.084 46.176 -19.334 1.00 71.23 C ATOM 1401 CG1 VAL A 91 7.334 46.786 -18.720 1.00 3.13 C ATOM 1402 CG2 VAL A 91 5.108 45.737 -18.253 1.00 22.30 C ATOM 0 H VAL A 91 4.577 45.533 -21.297 1.00 64.30 H new ATOM 0 HA VAL A 91 4.898 47.938 -19.711 1.00 14.34 H new ATOM 0 HB VAL A 91 6.381 45.295 -19.902 1.00 71.23 H new ATOM 0 HG11 VAL A 91 7.796 46.066 -18.044 1.00 3.13 H new ATOM 0 HG12 VAL A 91 8.038 47.045 -19.510 1.00 3.13 H new ATOM 0 HG13 VAL A 91 7.065 47.685 -18.165 1.00 3.13 H new ATOM 0 HG21 VAL A 91 5.600 45.032 -17.583 1.00 22.30 H new ATOM 0 HG22 VAL A 91 4.778 46.607 -17.686 1.00 22.30 H new ATOM 0 HG23 VAL A 91 4.245 45.257 -18.715 1.00 22.30 H new ATOM 1412 N LEU A 92 6.958 47.102 -22.159 1.00 52.42 N ATOM 1413 CA LEU A 92 7.984 47.616 -23.060 1.00 23.24 C ATOM 1414 C LEU A 92 7.559 48.949 -23.667 1.00 74.42 C ATOM 1415 O LEU A 92 8.360 49.875 -23.779 1.00 1.21 O ATOM 1416 CB LEU A 92 8.269 46.604 -24.171 1.00 33.54 C ATOM 1417 CG LEU A 92 9.741 46.265 -24.409 1.00 74.23 C ATOM 1418 CD1 LEU A 92 10.129 45.006 -23.649 1.00 73.03 C ATOM 1419 CD2 LEU A 92 10.015 46.098 -25.897 1.00 20.13 C ATOM 0 H LEU A 92 6.651 46.152 -22.367 1.00 52.42 H new ATOM 0 HA LEU A 92 8.893 47.776 -22.481 1.00 23.24 H new ATOM 0 HB2 LEU A 92 7.737 45.681 -23.939 1.00 33.54 H new ATOM 0 HB3 LEU A 92 7.850 46.988 -25.101 1.00 33.54 H new ATOM 0 HG LEU A 92 10.349 47.090 -24.038 1.00 74.23 H new ATOM 0 HD11 LEU A 92 11.180 44.781 -23.831 1.00 73.03 H new ATOM 0 HD12 LEU A 92 9.970 45.162 -22.582 1.00 73.03 H new ATOM 0 HD13 LEU A 92 9.515 44.172 -23.989 1.00 73.03 H new ATOM 0 HD21 LEU A 92 11.067 45.857 -26.048 1.00 20.13 H new ATOM 0 HD22 LEU A 92 9.397 45.291 -26.292 1.00 20.13 H new ATOM 0 HD23 LEU A 92 9.777 47.026 -26.417 1.00 20.13 H new ATOM 1632 N GLY A 108 1.215 51.221 -9.062 1.00 24.42 N ATOM 1633 CA GLY A 108 1.657 49.977 -8.459 1.00 31.35 C ATOM 1634 C GLY A 108 1.319 48.768 -9.309 1.00 11.05 C ATOM 1635 O GLY A 108 1.468 47.629 -8.866 1.00 64.42 O ATOM 0 HA2 GLY A 108 2.735 50.016 -8.301 1.00 31.35 H new ATOM 0 HA3 GLY A 108 1.195 49.868 -7.478 1.00 31.35 H new ATOM 1639 N ILE A 109 0.861 49.016 -10.531 1.00 34.22 N ATOM 1640 CA ILE A 109 0.500 47.938 -11.444 1.00 11.41 C ATOM 1641 C ILE A 109 1.626 46.917 -11.561 1.00 20.11 C ATOM 1642 O ILE A 109 1.379 45.717 -11.683 1.00 23.11 O ATOM 1643 CB ILE A 109 0.164 48.478 -12.847 1.00 13.14 C ATOM 1644 CG1 ILE A 109 0.080 47.328 -13.853 1.00 13.34 C ATOM 1645 CG2 ILE A 109 1.204 49.498 -13.285 1.00 61.22 C ATOM 1646 CD1 ILE A 109 1.357 47.115 -14.634 1.00 61.41 C ATOM 0 H ILE A 109 0.731 49.953 -10.912 1.00 34.22 H new ATOM 0 HA ILE A 109 -0.384 47.454 -11.028 1.00 11.41 H new ATOM 0 HB ILE A 109 -0.807 48.973 -12.807 1.00 13.14 H new ATOM 0 HG12 ILE A 109 -0.169 46.409 -13.322 1.00 13.34 H new ATOM 0 HG13 ILE A 109 -0.734 47.525 -14.550 1.00 13.34 H new ATOM 0 HG21 ILE A 109 0.953 49.870 -14.278 1.00 61.22 H new ATOM 0 HG22 ILE A 109 1.219 50.329 -12.579 1.00 61.22 H new ATOM 0 HG23 ILE A 109 2.187 49.027 -13.312 1.00 61.22 H new ATOM 0 HD11 ILE A 109 1.225 46.285 -15.328 1.00 61.41 H new ATOM 0 HD12 ILE A 109 1.597 48.020 -15.193 1.00 61.41 H new ATOM 0 HD13 ILE A 109 2.171 46.887 -13.946 1.00 61.41 H new ATOM 1658 N ASP A 110 2.863 47.401 -11.521 1.00 75.31 N ATOM 1659 CA ASP A 110 4.028 46.530 -11.620 1.00 30.33 C ATOM 1660 C ASP A 110 4.046 45.515 -10.481 1.00 75.51 C ATOM 1661 O ASP A 110 4.150 44.310 -10.712 1.00 73.21 O ATOM 1662 CB ASP A 110 5.314 47.358 -11.601 1.00 15.12 C ATOM 1663 CG ASP A 110 6.313 46.900 -12.645 1.00 12.21 C ATOM 1664 OD1 ASP A 110 6.351 45.687 -12.937 1.00 74.14 O ATOM 1665 OD2 ASP A 110 7.058 47.755 -13.169 1.00 33.10 O ATOM 0 H ASP A 110 3.084 48.392 -11.421 1.00 75.31 H new ATOM 0 HA ASP A 110 3.967 45.989 -12.564 1.00 30.33 H new ATOM 0 HB2 ASP A 110 5.070 48.407 -11.771 1.00 15.12 H new ATOM 0 HB3 ASP A 110 5.770 47.293 -10.613 1.00 15.12 H new ATOM 1670 N ARG A 111 3.944 46.010 -9.252 1.00 61.30 N ATOM 1671 CA ARG A 111 3.951 45.146 -8.077 1.00 53.14 C ATOM 1672 C ARG A 111 2.721 44.244 -8.059 1.00 74.53 C ATOM 1673 O ARG A 111 2.748 43.150 -7.493 1.00 71.00 O ATOM 1674 CB ARG A 111 3.999 45.987 -6.800 1.00 74.23 C ATOM 1675 CG ARG A 111 5.323 45.896 -6.061 1.00 2.05 C ATOM 1676 CD ARG A 111 6.421 46.657 -6.788 1.00 32.11 C ATOM 1677 NE ARG A 111 7.257 47.424 -5.868 1.00 54.24 N ATOM 1678 CZ ARG A 111 8.248 48.215 -6.263 1.00 25.14 C ATOM 1679 NH1 ARG A 111 8.527 48.342 -7.553 1.00 15.13 N ATOM 1680 NH2 ARG A 111 8.964 48.881 -5.365 1.00 62.15 N ATOM 0 H ARG A 111 3.856 47.005 -9.044 1.00 61.30 H new ATOM 0 HA ARG A 111 4.840 44.518 -8.124 1.00 53.14 H new ATOM 0 HB2 ARG A 111 3.805 47.029 -7.054 1.00 74.23 H new ATOM 0 HB3 ARG A 111 3.198 45.667 -6.134 1.00 74.23 H new ATOM 0 HG2 ARG A 111 5.207 46.296 -5.054 1.00 2.05 H new ATOM 0 HG3 ARG A 111 5.612 44.850 -5.957 1.00 2.05 H new ATOM 0 HD2 ARG A 111 7.043 45.954 -7.343 1.00 32.11 H new ATOM 0 HD3 ARG A 111 5.973 47.331 -7.518 1.00 32.11 H new ATOM 0 HE ARG A 111 7.070 47.348 -4.868 1.00 54.24 H new ATOM 0 HH11 ARG A 111 7.980 47.831 -8.246 1.00 15.13 H new ATOM 0 HH12 ARG A 111 9.289 48.950 -7.853 1.00 15.13 H new ATOM 0 HH21 ARG A 111 8.753 48.785 -4.372 1.00 62.15 H new ATOM 0 HH22 ARG A 111 9.725 49.488 -5.668 1.00 62.15 H new ATOM 1694 N LEU A 112 1.643 44.708 -8.682 1.00 10.54 N ATOM 1695 CA LEU A 112 0.402 43.944 -8.737 1.00 71.21 C ATOM 1696 C LEU A 112 0.573 42.688 -9.586 1.00 44.21 C ATOM 1697 O LEU A 112 0.352 41.572 -9.115 1.00 4.52 O ATOM 1698 CB LEU A 112 -0.727 44.806 -9.304 1.00 41.52 C ATOM 1699 CG LEU A 112 -1.731 45.351 -8.288 1.00 0.03 C ATOM 1700 CD1 LEU A 112 -2.622 44.234 -7.767 1.00 13.30 C ATOM 1701 CD2 LEU A 112 -1.007 46.038 -7.139 1.00 14.03 C ATOM 0 H LEU A 112 1.604 45.610 -9.156 1.00 10.54 H new ATOM 0 HA LEU A 112 0.145 43.642 -7.722 1.00 71.21 H new ATOM 0 HB2 LEU A 112 -0.283 45.649 -9.833 1.00 41.52 H new ATOM 0 HB3 LEU A 112 -1.271 44.217 -10.042 1.00 41.52 H new ATOM 0 HG LEU A 112 -2.361 46.088 -8.787 1.00 0.03 H new ATOM 0 HD11 LEU A 112 -3.330 44.640 -7.045 1.00 13.30 H new ATOM 0 HD12 LEU A 112 -3.167 43.786 -8.598 1.00 13.30 H new ATOM 0 HD13 LEU A 112 -2.008 43.474 -7.284 1.00 13.30 H new ATOM 0 HD21 LEU A 112 -1.737 46.420 -6.425 1.00 14.03 H new ATOM 0 HD22 LEU A 112 -0.353 45.322 -6.641 1.00 14.03 H new ATOM 0 HD23 LEU A 112 -0.412 46.865 -7.527 1.00 14.03 H new ATOM 1713 N PHE A 113 0.971 42.878 -10.840 1.00 33.21 N ATOM 1714 CA PHE A 113 1.174 41.761 -11.755 1.00 35.41 C ATOM 1715 C PHE A 113 2.152 40.748 -11.168 1.00 23.31 C ATOM 1716 O PHE A 113 2.048 39.547 -11.423 1.00 3.04 O ATOM 1717 CB PHE A 113 1.692 42.265 -13.103 1.00 50.40 C ATOM 1718 CG PHE A 113 2.063 41.163 -14.054 1.00 13.24 C ATOM 1719 CD1 PHE A 113 1.125 40.218 -14.439 1.00 3.22 C ATOM 1720 CD2 PHE A 113 3.348 41.072 -14.562 1.00 42.23 C ATOM 1721 CE1 PHE A 113 1.464 39.203 -15.313 1.00 22.43 C ATOM 1722 CE2 PHE A 113 3.693 40.059 -15.437 1.00 32.10 C ATOM 1723 CZ PHE A 113 2.749 39.123 -15.813 1.00 41.54 C ATOM 0 H PHE A 113 1.159 43.795 -11.245 1.00 33.21 H new ATOM 0 HA PHE A 113 0.214 41.268 -11.905 1.00 35.41 H new ATOM 0 HB2 PHE A 113 0.929 42.891 -13.565 1.00 50.40 H new ATOM 0 HB3 PHE A 113 2.564 42.897 -12.935 1.00 50.40 H new ATOM 0 HD1 PHE A 113 0.118 40.276 -14.052 1.00 3.22 H new ATOM 0 HD2 PHE A 113 4.090 41.801 -14.271 1.00 42.23 H new ATOM 0 HE1 PHE A 113 0.724 38.472 -15.605 1.00 22.43 H new ATOM 0 HE2 PHE A 113 4.699 39.999 -15.826 1.00 32.10 H new ATOM 0 HZ PHE A 113 3.015 38.330 -16.497 1.00 41.54 H new ATOM 1733 N LEU A 114 3.103 41.240 -10.381 1.00 51.14 N ATOM 1734 CA LEU A 114 4.102 40.379 -9.758 1.00 12.24 C ATOM 1735 C LEU A 114 3.518 39.654 -8.550 1.00 34.14 C ATOM 1736 O LEU A 114 3.681 38.443 -8.402 1.00 21.22 O ATOM 1737 CB LEU A 114 5.319 41.202 -9.333 1.00 3.21 C ATOM 1738 CG LEU A 114 6.534 41.132 -10.260 1.00 34.43 C ATOM 1739 CD1 LEU A 114 7.066 42.526 -10.549 1.00 1.41 C ATOM 1740 CD2 LEU A 114 7.621 40.260 -9.649 1.00 32.34 C ATOM 0 H LEU A 114 3.203 42.231 -10.159 1.00 51.14 H new ATOM 0 HA LEU A 114 4.412 39.634 -10.491 1.00 12.24 H new ATOM 0 HB2 LEU A 114 5.014 42.245 -9.244 1.00 3.21 H new ATOM 0 HB3 LEU A 114 5.626 40.874 -8.340 1.00 3.21 H new ATOM 0 HG LEU A 114 6.222 40.682 -11.203 1.00 34.43 H new ATOM 0 HD11 LEU A 114 7.930 42.456 -11.210 1.00 1.41 H new ATOM 0 HD12 LEU A 114 6.289 43.120 -11.030 1.00 1.41 H new ATOM 0 HD13 LEU A 114 7.362 43.004 -9.615 1.00 1.41 H new ATOM 0 HD21 LEU A 114 8.478 40.221 -10.322 1.00 32.34 H new ATOM 0 HD22 LEU A 114 7.930 40.681 -8.692 1.00 32.34 H new ATOM 0 HD23 LEU A 114 7.235 39.252 -9.495 1.00 32.34 H new ATOM 1752 N TRP A 115 2.835 40.402 -7.690 1.00 61.14 N ATOM 1753 CA TRP A 115 2.224 39.829 -6.496 1.00 42.31 C ATOM 1754 C TRP A 115 1.184 38.778 -6.867 1.00 41.23 C ATOM 1755 O TRP A 115 1.205 37.661 -6.350 1.00 4.14 O ATOM 1756 CB TRP A 115 1.578 40.929 -5.652 1.00 34.31 C ATOM 1757 CG TRP A 115 0.763 40.400 -4.511 1.00 35.41 C ATOM 1758 CD1 TRP A 115 1.218 39.683 -3.441 1.00 42.12 C ATOM 1759 CD2 TRP A 115 -0.650 40.544 -4.327 1.00 70.34 C ATOM 1760 NE1 TRP A 115 0.174 39.373 -2.604 1.00 12.23 N ATOM 1761 CE2 TRP A 115 -0.983 39.890 -3.125 1.00 3.55 C ATOM 1762 CE3 TRP A 115 -1.666 41.163 -5.061 1.00 22.32 C ATOM 1763 CZ2 TRP A 115 -2.288 39.839 -2.642 1.00 43.00 C ATOM 1764 CZ3 TRP A 115 -2.961 41.110 -4.581 1.00 4.53 C ATOM 1765 CH2 TRP A 115 -3.262 40.453 -3.380 1.00 54.45 C ATOM 0 H TRP A 115 2.691 41.406 -7.797 1.00 61.14 H new ATOM 0 HA TRP A 115 3.008 39.346 -5.913 1.00 42.31 H new ATOM 0 HB2 TRP A 115 2.358 41.582 -5.260 1.00 34.31 H new ATOM 0 HB3 TRP A 115 0.941 41.541 -6.291 1.00 34.31 H new ATOM 0 HD1 TRP A 115 2.248 39.401 -3.277 1.00 42.12 H new ATOM 0 HE1 TRP A 115 0.248 38.844 -1.735 1.00 12.23 H new ATOM 0 HE3 TRP A 115 -1.443 41.673 -5.986 1.00 22.32 H new ATOM 0 HZ2 TRP A 115 -2.523 39.333 -1.717 1.00 43.00 H new ATOM 0 HZ3 TRP A 115 -3.754 41.583 -5.141 1.00 4.53 H new ATOM 0 HH2 TRP A 115 -4.284 40.431 -3.030 1.00 54.45 H new ATOM 1776 N ILE A 116 0.276 39.142 -7.766 1.00 52.41 N ATOM 1777 CA ILE A 116 -0.771 38.229 -8.207 1.00 14.14 C ATOM 1778 C ILE A 116 -0.178 36.993 -8.874 1.00 2.02 C ATOM 1779 O ILE A 116 -0.750 35.905 -8.810 1.00 72.24 O ATOM 1780 CB ILE A 116 -1.739 38.914 -9.189 1.00 53.22 C ATOM 1781 CG1 ILE A 116 -1.005 39.303 -10.474 1.00 53.51 C ATOM 1782 CG2 ILE A 116 -2.372 40.137 -8.543 1.00 12.50 C ATOM 1783 CD1 ILE A 116 -1.246 38.347 -11.621 1.00 53.20 C ATOM 0 H ILE A 116 0.244 40.063 -8.203 1.00 52.41 H new ATOM 0 HA ILE A 116 -1.323 37.929 -7.316 1.00 14.14 H new ATOM 0 HB ILE A 116 -2.532 38.211 -9.444 1.00 53.22 H new ATOM 0 HG12 ILE A 116 -1.319 40.303 -10.773 1.00 53.51 H new ATOM 0 HG13 ILE A 116 0.065 39.352 -10.271 1.00 53.51 H new ATOM 0 HG21 ILE A 116 -3.054 40.610 -9.250 1.00 12.50 H new ATOM 0 HG22 ILE A 116 -2.924 39.834 -7.654 1.00 12.50 H new ATOM 0 HG23 ILE A 116 -1.592 40.845 -8.262 1.00 12.50 H new ATOM 0 HD11 ILE A 116 -0.695 38.685 -12.498 1.00 53.20 H new ATOM 0 HD12 ILE A 116 -0.906 37.350 -11.341 1.00 53.20 H new ATOM 0 HD13 ILE A 116 -2.311 38.316 -11.851 1.00 53.20 H new ATOM 1795 N PHE A 117 0.975 37.168 -9.512 1.00 75.31 N ATOM 1796 CA PHE A 117 1.647 36.066 -10.191 1.00 2.22 C ATOM 1797 C PHE A 117 2.334 35.146 -9.186 1.00 34.04 C ATOM 1798 O PHE A 117 2.350 33.927 -9.354 1.00 23.52 O ATOM 1799 CB PHE A 117 2.674 36.605 -11.189 1.00 54.14 C ATOM 1800 CG PHE A 117 3.374 35.529 -11.969 1.00 10.02 C ATOM 1801 CD1 PHE A 117 2.671 34.440 -12.457 1.00 32.50 C ATOM 1802 CD2 PHE A 117 4.736 35.607 -12.213 1.00 33.22 C ATOM 1803 CE1 PHE A 117 3.312 33.448 -13.175 1.00 22.31 C ATOM 1804 CE2 PHE A 117 5.382 34.618 -12.930 1.00 43.34 C ATOM 1805 CZ PHE A 117 4.670 33.537 -13.411 1.00 30.20 C ATOM 0 H PHE A 117 1.463 38.062 -9.573 1.00 75.31 H new ATOM 0 HA PHE A 117 0.894 35.490 -10.729 1.00 2.22 H new ATOM 0 HB2 PHE A 117 2.174 37.280 -11.884 1.00 54.14 H new ATOM 0 HB3 PHE A 117 3.417 37.194 -10.651 1.00 54.14 H new ATOM 0 HD1 PHE A 117 1.609 34.365 -12.274 1.00 32.50 H new ATOM 0 HD2 PHE A 117 5.298 36.450 -11.839 1.00 33.22 H new ATOM 0 HE1 PHE A 117 2.752 32.605 -13.551 1.00 22.31 H new ATOM 0 HE2 PHE A 117 6.444 34.690 -13.114 1.00 43.34 H new ATOM 0 HZ PHE A 117 5.174 32.763 -13.971 1.00 30.20 H new ATOM 1815 N VAL A 118 2.900 35.739 -8.140 1.00 11.54 N ATOM 1816 CA VAL A 118 3.588 34.975 -7.106 1.00 73.44 C ATOM 1817 C VAL A 118 2.605 34.134 -6.299 1.00 71.00 C ATOM 1818 O VAL A 118 2.912 33.009 -5.903 1.00 42.41 O ATOM 1819 CB VAL A 118 4.365 35.897 -6.149 1.00 13.24 C ATOM 1820 CG1 VAL A 118 4.935 35.101 -4.985 1.00 64.43 C ATOM 1821 CG2 VAL A 118 5.468 36.631 -6.895 1.00 43.41 C ATOM 0 H VAL A 118 2.896 36.747 -7.986 1.00 11.54 H new ATOM 0 HA VAL A 118 4.293 34.317 -7.615 1.00 73.44 H new ATOM 0 HB VAL A 118 3.675 36.638 -5.747 1.00 13.24 H new ATOM 0 HG11 VAL A 118 5.481 35.770 -4.319 1.00 64.43 H new ATOM 0 HG12 VAL A 118 4.122 34.627 -4.436 1.00 64.43 H new ATOM 0 HG13 VAL A 118 5.612 34.335 -5.365 1.00 64.43 H new ATOM 0 HG21 VAL A 118 6.007 37.278 -6.203 1.00 43.41 H new ATOM 0 HG22 VAL A 118 6.159 35.907 -7.328 1.00 43.41 H new ATOM 0 HG23 VAL A 118 5.030 37.235 -7.690 1.00 43.41 H new ATOM 1831 N PHE A 119 1.421 34.687 -6.058 1.00 75.34 N ATOM 1832 CA PHE A 119 0.391 33.988 -5.297 1.00 43.04 C ATOM 1833 C PHE A 119 -0.016 32.693 -5.995 1.00 11.42 C ATOM 1834 O PHE A 119 0.074 31.609 -5.418 1.00 53.51 O ATOM 1835 CB PHE A 119 -0.833 34.887 -5.110 1.00 62.32 C ATOM 1836 CG PHE A 119 -1.533 34.681 -3.797 1.00 64.43 C ATOM 1837 CD1 PHE A 119 -0.859 34.868 -2.601 1.00 61.41 C ATOM 1838 CD2 PHE A 119 -2.864 34.299 -3.759 1.00 52.14 C ATOM 1839 CE1 PHE A 119 -1.500 34.679 -1.391 1.00 51.11 C ATOM 1840 CE2 PHE A 119 -3.511 34.110 -2.553 1.00 24.54 C ATOM 1841 CZ PHE A 119 -2.827 34.299 -1.367 1.00 74.51 C ATOM 0 H PHE A 119 1.151 35.617 -6.378 1.00 75.34 H new ATOM 0 HA PHE A 119 0.803 33.739 -4.319 1.00 43.04 H new ATOM 0 HB2 PHE A 119 -0.524 35.929 -5.188 1.00 62.32 H new ATOM 0 HB3 PHE A 119 -1.537 34.702 -5.921 1.00 62.32 H new ATOM 0 HD1 PHE A 119 0.179 35.165 -2.614 1.00 61.41 H new ATOM 0 HD2 PHE A 119 -3.402 34.147 -4.683 1.00 52.14 H new ATOM 0 HE1 PHE A 119 -0.963 34.828 -0.466 1.00 51.11 H new ATOM 0 HE2 PHE A 119 -4.550 33.815 -2.537 1.00 24.54 H new ATOM 0 HZ PHE A 119 -3.330 34.150 -0.423 1.00 74.51 H new ATOM 1851 N VAL A 120 -0.465 32.815 -7.240 1.00 32.00 N ATOM 1852 CA VAL A 120 -0.886 31.656 -8.017 1.00 73.44 C ATOM 1853 C VAL A 120 0.242 30.638 -8.142 1.00 41.21 C ATOM 1854 O VAL A 120 -0.002 29.437 -8.263 1.00 2.03 O ATOM 1855 CB VAL A 120 -1.352 32.065 -9.427 1.00 73.54 C ATOM 1856 CG1 VAL A 120 -0.245 32.806 -10.162 1.00 33.52 C ATOM 1857 CG2 VAL A 120 -1.801 30.843 -10.215 1.00 21.21 C ATOM 0 H VAL A 120 -0.546 33.705 -7.732 1.00 32.00 H new ATOM 0 HA VAL A 120 -1.722 31.204 -7.483 1.00 73.44 H new ATOM 0 HB VAL A 120 -2.203 32.738 -9.328 1.00 73.54 H new ATOM 0 HG11 VAL A 120 -0.593 33.087 -11.156 1.00 33.52 H new ATOM 0 HG12 VAL A 120 0.024 33.703 -9.605 1.00 33.52 H new ATOM 0 HG13 VAL A 120 0.628 32.159 -10.252 1.00 33.52 H new ATOM 0 HG21 VAL A 120 -2.127 31.150 -11.209 1.00 21.21 H new ATOM 0 HG22 VAL A 120 -0.970 30.143 -10.306 1.00 21.21 H new ATOM 0 HG23 VAL A 120 -2.628 30.359 -9.696 1.00 21.21 H new ATOM 1867 N CYS A 121 1.477 31.126 -8.112 1.00 1.32 N ATOM 1868 CA CYS A 121 2.645 30.259 -8.222 1.00 11.31 C ATOM 1869 C CYS A 121 2.813 29.411 -6.965 1.00 52.15 C ATOM 1870 O CYS A 121 3.136 28.226 -7.042 1.00 64.24 O ATOM 1871 CB CYS A 121 3.904 31.093 -8.461 1.00 44.21 C ATOM 1872 SG CYS A 121 5.437 30.279 -7.953 1.00 34.32 S ATOM 0 H CYS A 121 1.696 32.117 -8.012 1.00 1.32 H new ATOM 0 HA CYS A 121 2.493 29.592 -9.071 1.00 11.31 H new ATOM 0 HB2 CYS A 121 3.969 31.337 -9.521 1.00 44.21 H new ATOM 0 HB3 CYS A 121 3.810 32.036 -7.922 1.00 44.21 H new ATOM 0 HG CYS A 121 6.446 31.062 -8.197 1.00 34.32 H new ATOM 1878 N VAL A 122 2.592 30.027 -5.808 1.00 62.12 N ATOM 1879 CA VAL A 122 2.720 29.329 -4.534 1.00 53.04 C ATOM 1880 C VAL A 122 1.503 28.451 -4.265 1.00 30.12 C ATOM 1881 O VAL A 122 1.621 27.233 -4.128 1.00 71.01 O ATOM 1882 CB VAL A 122 2.894 30.319 -3.367 1.00 74.22 C ATOM 1883 CG1 VAL A 122 2.662 29.620 -2.036 1.00 5.42 C ATOM 1884 CG2 VAL A 122 4.274 30.957 -3.411 1.00 72.24 C ATOM 0 H VAL A 122 2.324 31.008 -5.727 1.00 62.12 H new ATOM 0 HA VAL A 122 3.609 28.702 -4.604 1.00 53.04 H new ATOM 0 HB VAL A 122 2.151 31.110 -3.469 1.00 74.22 H new ATOM 0 HG11 VAL A 122 2.789 30.335 -1.223 1.00 5.42 H new ATOM 0 HG12 VAL A 122 1.650 29.216 -2.009 1.00 5.42 H new ATOM 0 HG13 VAL A 122 3.380 28.808 -1.921 1.00 5.42 H new ATOM 0 HG21 VAL A 122 4.379 31.654 -2.579 1.00 72.24 H new ATOM 0 HG22 VAL A 122 5.036 30.181 -3.334 1.00 72.24 H new ATOM 0 HG23 VAL A 122 4.397 31.494 -4.352 1.00 72.24 H new ATOM 1894 N PHE A 123 0.333 29.077 -4.190 1.00 2.03 N ATOM 1895 CA PHE A 123 -0.907 28.353 -3.936 1.00 23.32 C ATOM 1896 C PHE A 123 -1.118 27.256 -4.975 1.00 74.22 C ATOM 1897 O PHE A 123 -1.495 26.133 -4.641 1.00 51.22 O ATOM 1898 CB PHE A 123 -2.096 29.316 -3.945 1.00 23.33 C ATOM 1899 CG PHE A 123 -3.391 28.665 -4.338 1.00 32.04 C ATOM 1900 CD1 PHE A 123 -4.079 27.864 -3.441 1.00 32.32 C ATOM 1901 CD2 PHE A 123 -3.921 28.855 -5.604 1.00 12.04 C ATOM 1902 CE1 PHE A 123 -5.271 27.263 -3.800 1.00 40.22 C ATOM 1903 CE2 PHE A 123 -5.113 28.257 -5.969 1.00 1.44 C ATOM 1904 CZ PHE A 123 -5.789 27.461 -5.065 1.00 51.32 C ATOM 0 H PHE A 123 0.218 30.084 -4.302 1.00 2.03 H new ATOM 0 HA PHE A 123 -0.833 27.888 -2.953 1.00 23.32 H new ATOM 0 HB2 PHE A 123 -2.205 29.755 -2.953 1.00 23.33 H new ATOM 0 HB3 PHE A 123 -1.886 30.134 -4.634 1.00 23.33 H new ATOM 0 HD1 PHE A 123 -3.679 27.707 -2.450 1.00 32.32 H new ATOM 0 HD2 PHE A 123 -3.397 29.478 -6.314 1.00 12.04 H new ATOM 0 HE1 PHE A 123 -5.797 26.639 -3.092 1.00 40.22 H new ATOM 0 HE2 PHE A 123 -5.515 28.412 -6.959 1.00 1.44 H new ATOM 0 HZ PHE A 123 -6.721 26.994 -5.347 1.00 51.32 H new ATOM 1914 N GLY A 124 -0.874 27.590 -6.239 1.00 4.44 N ATOM 1915 CA GLY A 124 -1.043 26.624 -7.308 1.00 54.31 C ATOM 1916 C GLY A 124 -0.131 25.423 -7.155 1.00 13.42 C ATOM 1917 O GLY A 124 -0.595 24.284 -7.102 1.00 73.22 O ATOM 0 H GLY A 124 -0.562 28.513 -6.541 1.00 4.44 H new ATOM 0 HA2 GLY A 124 -2.080 26.288 -7.329 1.00 54.31 H new ATOM 0 HA3 GLY A 124 -0.845 27.107 -8.265 1.00 54.31 H new ATOM 1921 N THR A 125 1.172 25.677 -7.084 1.00 71.14 N ATOM 1922 CA THR A 125 2.152 24.608 -6.939 1.00 73.14 C ATOM 1923 C THR A 125 1.908 23.807 -5.665 1.00 55.34 C ATOM 1924 O THR A 125 1.853 22.577 -5.695 1.00 1.40 O ATOM 1925 CB THR A 125 3.589 25.162 -6.916 1.00 53.22 C ATOM 1926 OG1 THR A 125 3.982 25.559 -8.235 1.00 21.23 O ATOM 1927 CG2 THR A 125 4.562 24.122 -6.383 1.00 34.43 C ATOM 0 H THR A 125 1.573 26.614 -7.125 1.00 71.14 H new ATOM 0 HA THR A 125 2.036 23.954 -7.804 1.00 73.14 H new ATOM 0 HB THR A 125 3.610 26.028 -6.255 1.00 53.22 H new ATOM 0 HG1 THR A 125 3.874 26.528 -8.331 1.00 21.23 H new ATOM 0 HG21 THR A 125 5.570 24.537 -6.376 1.00 34.43 H new ATOM 0 HG22 THR A 125 4.277 23.844 -5.368 1.00 34.43 H new ATOM 0 HG23 THR A 125 4.537 23.239 -7.022 1.00 34.43 H new ATOM 1935 N ILE A 126 1.760 24.512 -4.548 1.00 64.25 N ATOM 1936 CA ILE A 126 1.520 23.866 -3.264 1.00 71.53 C ATOM 1937 C ILE A 126 0.276 22.985 -3.316 1.00 61.14 C ATOM 1938 O ILE A 126 0.240 21.908 -2.724 1.00 21.53 O ATOM 1939 CB ILE A 126 1.356 24.900 -2.135 1.00 53.24 C ATOM 1940 CG1 ILE A 126 2.677 25.630 -1.887 1.00 2.22 C ATOM 1941 CG2 ILE A 126 0.871 24.223 -0.862 1.00 71.34 C ATOM 1942 CD1 ILE A 126 3.708 24.786 -1.170 1.00 41.42 C ATOM 0 H ILE A 126 1.802 25.530 -4.507 1.00 64.25 H new ATOM 0 HA ILE A 126 2.392 23.247 -3.054 1.00 71.53 H new ATOM 0 HB ILE A 126 0.609 25.633 -2.440 1.00 53.24 H new ATOM 0 HG12 ILE A 126 3.087 25.957 -2.843 1.00 2.22 H new ATOM 0 HG13 ILE A 126 2.482 26.528 -1.300 1.00 2.22 H new ATOM 0 HG21 ILE A 126 0.760 24.967 -0.074 1.00 71.34 H new ATOM 0 HG22 ILE A 126 -0.091 23.745 -1.048 1.00 71.34 H new ATOM 0 HG23 ILE A 126 1.596 23.471 -0.551 1.00 71.34 H new ATOM 0 HD11 ILE A 126 4.619 25.367 -1.028 1.00 41.42 H new ATOM 0 HD12 ILE A 126 3.317 24.481 -0.199 1.00 41.42 H new ATOM 0 HD13 ILE A 126 3.932 23.901 -1.766 1.00 41.42 H new ATOM 1954 N GLY A 127 -0.743 23.451 -4.032 1.00 50.12 N ATOM 1955 CA GLY A 127 -1.975 22.693 -4.150 1.00 63.24 C ATOM 1956 C GLY A 127 -1.752 21.313 -4.737 1.00 30.11 C ATOM 1957 O GLY A 127 -2.048 20.304 -4.097 1.00 52.31 O ATOM 0 H GLY A 127 -0.737 24.340 -4.532 1.00 50.12 H new ATOM 0 HA2 GLY A 127 -2.434 22.596 -3.166 1.00 63.24 H new ATOM 0 HA3 GLY A 127 -2.677 23.242 -4.777 1.00 63.24 H new ATOM 1961 N MET A 128 -1.230 21.268 -5.958 1.00 71.13 N ATOM 1962 CA MET A 128 -0.969 20.001 -6.631 1.00 62.30 C ATOM 1963 C MET A 128 0.128 19.221 -5.914 1.00 24.42 C ATOM 1964 O MET A 128 0.233 18.002 -6.058 1.00 1.31 O ATOM 1965 CB MET A 128 -0.568 20.245 -8.087 1.00 74.13 C ATOM 1966 CG MET A 128 0.796 20.896 -8.241 1.00 45.12 C ATOM 1967 SD MET A 128 1.166 21.340 -9.949 1.00 72.44 S ATOM 1968 CE MET A 128 0.322 22.914 -10.080 1.00 40.14 C ATOM 0 H MET A 128 -0.979 22.094 -6.502 1.00 71.13 H new ATOM 0 HA MET A 128 -1.885 19.411 -6.608 1.00 62.30 H new ATOM 0 HB2 MET A 128 -0.570 19.294 -8.620 1.00 74.13 H new ATOM 0 HB3 MET A 128 -1.319 20.877 -8.561 1.00 74.13 H new ATOM 0 HG2 MET A 128 0.839 21.791 -7.620 1.00 45.12 H new ATOM 0 HG3 MET A 128 1.563 20.215 -7.873 1.00 45.12 H new ATOM 0 HE1 MET A 128 -0.101 23.018 -11.079 1.00 40.14 H new ATOM 0 HE2 MET A 128 -0.477 22.961 -9.340 1.00 40.14 H new ATOM 0 HE3 MET A 128 1.030 23.723 -9.900 1.00 40.14 H new ATOM 1978 N PHE A 129 0.944 19.930 -5.141 1.00 43.13 N ATOM 1979 CA PHE A 129 2.035 19.304 -4.403 1.00 33.13 C ATOM 1980 C PHE A 129 1.531 18.708 -3.091 1.00 44.02 C ATOM 1981 O PHE A 129 2.223 17.915 -2.451 1.00 33.24 O ATOM 1982 CB PHE A 129 3.140 20.324 -4.122 1.00 23.44 C ATOM 1983 CG PHE A 129 4.422 19.702 -3.647 1.00 5.04 C ATOM 1984 CD1 PHE A 129 5.288 19.097 -4.543 1.00 44.33 C ATOM 1985 CD2 PHE A 129 4.761 19.722 -2.303 1.00 64.03 C ATOM 1986 CE1 PHE A 129 6.469 18.525 -4.110 1.00 24.43 C ATOM 1987 CE2 PHE A 129 5.941 19.151 -1.864 1.00 0.41 C ATOM 1988 CZ PHE A 129 6.795 18.551 -2.768 1.00 25.11 C ATOM 0 H PHE A 129 0.870 20.939 -5.009 1.00 43.13 H new ATOM 0 HA PHE A 129 2.441 18.499 -5.016 1.00 33.13 H new ATOM 0 HB2 PHE A 129 3.337 20.894 -5.030 1.00 23.44 H new ATOM 0 HB3 PHE A 129 2.788 21.031 -3.371 1.00 23.44 H new ATOM 0 HD1 PHE A 129 5.037 19.072 -5.593 1.00 44.33 H new ATOM 0 HD2 PHE A 129 4.096 20.189 -1.591 1.00 64.03 H new ATOM 0 HE1 PHE A 129 7.136 18.058 -4.820 1.00 24.43 H new ATOM 0 HE2 PHE A 129 6.195 19.174 -0.814 1.00 0.41 H new ATOM 0 HZ PHE A 129 7.716 18.103 -2.426 1.00 25.11 H new ATOM 1998 N LEU A 130 0.324 19.096 -2.697 1.00 54.11 N ATOM 1999 CA LEU A 130 -0.274 18.601 -1.462 1.00 3.55 C ATOM 2000 C LEU A 130 -0.920 17.237 -1.677 1.00 73.04 C ATOM 2001 O LEU A 130 -1.259 16.542 -0.720 1.00 13.42 O ATOM 2002 CB LEU A 130 -1.314 19.595 -0.941 1.00 50.04 C ATOM 2003 CG LEU A 130 -1.161 20.025 0.518 1.00 62.10 C ATOM 2004 CD1 LEU A 130 -0.179 21.181 0.634 1.00 60.52 C ATOM 2005 CD2 LEU A 130 -2.511 20.409 1.105 1.00 20.14 C ATOM 0 H LEU A 130 -0.261 19.752 -3.215 1.00 54.11 H new ATOM 0 HA LEU A 130 0.519 18.493 -0.722 1.00 3.55 H new ATOM 0 HB2 LEU A 130 -1.280 20.487 -1.567 1.00 50.04 H new ATOM 0 HB3 LEU A 130 -2.303 19.154 -1.067 1.00 50.04 H new ATOM 0 HG LEU A 130 -0.767 19.182 1.086 1.00 62.10 H new ATOM 0 HD11 LEU A 130 -0.083 21.473 1.680 1.00 60.52 H new ATOM 0 HD12 LEU A 130 0.794 20.871 0.253 1.00 60.52 H new ATOM 0 HD13 LEU A 130 -0.544 22.028 0.053 1.00 60.52 H new ATOM 0 HD21 LEU A 130 -2.383 20.712 2.144 1.00 20.14 H new ATOM 0 HD22 LEU A 130 -2.934 21.236 0.535 1.00 20.14 H new ATOM 0 HD23 LEU A 130 -3.185 19.554 1.057 1.00 20.14 H new