USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 815 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.547 (180deg=-0.565) USER MOD Single : A 4 SER OG : rot -41:sc= 1.16 USER MOD Single : A 9 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0879 K(o=-0.088,f=-2.5!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.066 USER MOD Single : A 46 CYS SG : rot 87:sc= 1.26 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 140:sc= -1.07 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.109 F(o=-1,f=-0.11) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.1!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -124:sc= 0 (180deg=-0.929) USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= 0.0428 (180deg=0.00308) USER MOD Single : A 85 SER OG : rot 180:sc= 0.136 USER MOD Single : A 86 CYS SG : rot 180:sc= -0.321 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc=-0.00503 X(o=-0.005,f=-0.17) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0663 USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.192 0.982 -0.304 1.00 43.12 N ATOM 2 CA MET A 1 2.165 0.373 -1.204 1.00 50.32 C ATOM 3 C MET A 1 1.470 -0.276 -2.397 1.00 21.33 C ATOM 4 O MET A 1 1.924 -1.300 -2.909 1.00 33.34 O ATOM 5 CB MET A 1 3.001 -0.668 -0.457 1.00 43.52 C ATOM 6 CG MET A 1 3.799 -0.089 0.700 1.00 33.25 C ATOM 7 SD MET A 1 5.063 1.077 0.159 1.00 30.22 S ATOM 8 CE MET A 1 6.489 0.472 1.058 1.00 31.34 C ATOM 0 H1 MET A 1 1.691 1.490 0.454 1.00 43.12 H new ATOM 0 H2 MET A 1 0.598 1.650 -0.835 1.00 43.12 H new ATOM 0 H3 MET A 1 0.592 0.241 0.112 1.00 43.12 H new ATOM 0 HA MET A 1 2.823 1.159 -1.573 1.00 50.32 H new ATOM 0 HB2 MET A 1 2.341 -1.448 -0.078 1.00 43.52 H new ATOM 0 HB3 MET A 1 3.686 -1.143 -1.159 1.00 43.52 H new ATOM 0 HG2 MET A 1 3.120 0.412 1.390 1.00 33.25 H new ATOM 0 HG3 MET A 1 4.272 -0.901 1.252 1.00 33.25 H new ATOM 0 HE1 MET A 1 7.355 1.093 0.827 1.00 31.34 H new ATOM 0 HE2 MET A 1 6.288 0.513 2.129 1.00 31.34 H new ATOM 0 HE3 MET A 1 6.693 -0.558 0.766 1.00 31.34 H new ATOM 18 N ILE A 2 0.369 0.325 -2.833 1.00 75.33 N ATOM 19 CA ILE A 2 -0.387 -0.196 -3.966 1.00 13.33 C ATOM 20 C ILE A 2 -0.576 0.872 -5.038 1.00 62.11 C ATOM 21 O ILE A 2 -1.670 1.400 -5.238 1.00 4.54 O ATOM 22 CB ILE A 2 -1.769 -0.718 -3.528 1.00 42.54 C ATOM 23 CG1 ILE A 2 -2.479 0.322 -2.658 1.00 62.25 C ATOM 24 CG2 ILE A 2 -1.625 -2.034 -2.779 1.00 40.05 C ATOM 25 CD1 ILE A 2 -3.983 0.320 -2.821 1.00 43.44 C ATOM 0 H ILE A 2 -0.020 1.173 -2.420 1.00 75.33 H new ATOM 0 HA ILE A 2 0.191 -1.023 -4.378 1.00 13.33 H new ATOM 0 HB ILE A 2 -2.374 -0.893 -4.418 1.00 42.54 H new ATOM 0 HG12 ILE A 2 -2.235 0.137 -1.612 1.00 62.25 H new ATOM 0 HG13 ILE A 2 -2.096 1.312 -2.904 1.00 62.25 H new ATOM 0 HG21 ILE A 2 -2.610 -2.390 -2.476 1.00 40.05 H new ATOM 0 HG22 ILE A 2 -1.156 -2.773 -3.429 1.00 40.05 H new ATOM 0 HG23 ILE A 2 -1.006 -1.883 -1.895 1.00 40.05 H new ATOM 0 HD11 ILE A 2 -4.420 1.082 -2.175 1.00 43.44 H new ATOM 0 HD12 ILE A 2 -4.237 0.535 -3.859 1.00 43.44 H new ATOM 0 HD13 ILE A 2 -4.377 -0.658 -2.547 1.00 43.44 H new ATOM 37 N PRO A 3 0.515 1.197 -5.748 1.00 22.24 N ATOM 38 CA PRO A 3 0.495 2.202 -6.814 1.00 43.41 C ATOM 39 C PRO A 3 -0.282 1.733 -8.039 1.00 64.12 C ATOM 40 O PRO A 3 -0.204 0.567 -8.426 1.00 34.34 O ATOM 41 CB PRO A 3 1.976 2.385 -7.157 1.00 71.43 C ATOM 42 CG PRO A 3 2.618 1.100 -6.760 1.00 53.13 C ATOM 43 CD PRO A 3 1.852 0.607 -5.564 1.00 11.12 C ATOM 0 HA PRO A 3 -0.000 3.120 -6.499 1.00 43.41 H new ATOM 0 HB2 PRO A 3 2.115 2.585 -8.219 1.00 71.43 H new ATOM 0 HB3 PRO A 3 2.407 3.227 -6.615 1.00 71.43 H new ATOM 0 HG2 PRO A 3 2.579 0.376 -7.574 1.00 53.13 H new ATOM 0 HG3 PRO A 3 3.670 1.248 -6.516 1.00 53.13 H new ATOM 0 HD2 PRO A 3 1.810 -0.482 -5.535 1.00 11.12 H new ATOM 0 HD3 PRO A 3 2.310 0.934 -4.631 1.00 11.12 H new ATOM 51 N SER A 4 -1.030 2.648 -8.647 1.00 3.44 N ATOM 52 CA SER A 4 -1.824 2.327 -9.827 1.00 23.34 C ATOM 53 C SER A 4 -2.752 1.148 -9.552 1.00 32.33 C ATOM 54 O SER A 4 -3.052 0.357 -10.447 1.00 30.04 O ATOM 55 CB SER A 4 -0.909 2.005 -11.010 1.00 54.34 C ATOM 56 OG SER A 4 -0.519 0.643 -10.998 1.00 41.11 O ATOM 0 H SER A 4 -1.103 3.618 -8.342 1.00 3.44 H new ATOM 0 HA SER A 4 -2.433 3.197 -10.074 1.00 23.34 H new ATOM 0 HB2 SER A 4 -1.424 2.231 -11.944 1.00 54.34 H new ATOM 0 HB3 SER A 4 -0.024 2.640 -10.972 1.00 54.34 H new ATOM 0 HG SER A 4 -0.318 0.368 -10.079 1.00 41.11 H new ATOM 62 N PHE A 5 -3.204 1.036 -8.307 1.00 52.41 N ATOM 63 CA PHE A 5 -4.098 -0.046 -7.912 1.00 60.22 C ATOM 64 C PHE A 5 -3.547 -1.397 -8.360 1.00 52.12 C ATOM 65 O PHE A 5 -3.867 -1.881 -9.446 1.00 12.54 O ATOM 66 CB PHE A 5 -5.491 0.172 -8.506 1.00 70.34 C ATOM 67 CG PHE A 5 -6.178 1.403 -7.988 1.00 62.04 C ATOM 68 CD1 PHE A 5 -7.221 1.301 -7.082 1.00 42.10 C ATOM 69 CD2 PHE A 5 -5.781 2.662 -8.408 1.00 43.33 C ATOM 70 CE1 PHE A 5 -7.855 2.432 -6.603 1.00 3.10 C ATOM 71 CE2 PHE A 5 -6.411 3.797 -7.932 1.00 65.24 C ATOM 72 CZ PHE A 5 -7.450 3.682 -7.030 1.00 24.53 C ATOM 0 H PHE A 5 -2.966 1.682 -7.554 1.00 52.41 H new ATOM 0 HA PHE A 5 -4.171 -0.045 -6.824 1.00 60.22 H new ATOM 0 HB2 PHE A 5 -5.408 0.241 -9.591 1.00 70.34 H new ATOM 0 HB3 PHE A 5 -6.110 -0.698 -8.289 1.00 70.34 H new ATOM 0 HD1 PHE A 5 -7.543 0.326 -6.746 1.00 42.10 H new ATOM 0 HD2 PHE A 5 -4.970 2.758 -9.115 1.00 43.33 H new ATOM 0 HE1 PHE A 5 -8.666 2.339 -5.896 1.00 3.10 H new ATOM 0 HE2 PHE A 5 -6.091 4.773 -8.266 1.00 65.24 H new ATOM 0 HZ PHE A 5 -7.945 4.567 -6.659 1.00 24.53 H new ATOM 82 N ALA A 6 -2.717 -2.000 -7.516 1.00 3.11 N ATOM 83 CA ALA A 6 -2.122 -3.295 -7.823 1.00 52.21 C ATOM 84 C ALA A 6 -1.202 -3.203 -9.035 1.00 43.54 C ATOM 85 O ALA A 6 -1.594 -3.490 -10.166 1.00 71.53 O ATOM 86 CB ALA A 6 -3.210 -4.332 -8.062 1.00 1.34 C ATOM 0 H ALA A 6 -2.441 -1.612 -6.614 1.00 3.11 H new ATOM 0 HA ALA A 6 -1.522 -3.604 -6.967 1.00 52.21 H new ATOM 0 HB1 ALA A 6 -2.752 -5.294 -8.290 1.00 1.34 H new ATOM 0 HB2 ALA A 6 -3.826 -4.426 -7.167 1.00 1.34 H new ATOM 0 HB3 ALA A 6 -3.833 -4.019 -8.900 1.00 1.34 H new ATOM 92 N PRO A 7 0.052 -2.791 -8.797 1.00 44.11 N ATOM 93 CA PRO A 7 1.055 -2.651 -9.858 1.00 14.02 C ATOM 94 C PRO A 7 1.499 -3.998 -10.417 1.00 73.31 C ATOM 95 O PRO A 7 2.009 -4.847 -9.687 1.00 12.22 O ATOM 96 CB PRO A 7 2.221 -1.953 -9.154 1.00 22.53 C ATOM 97 CG PRO A 7 2.068 -2.317 -7.717 1.00 43.30 C ATOM 98 CD PRO A 7 0.589 -2.431 -7.474 1.00 12.21 C ATOM 0 HA PRO A 7 0.667 -2.102 -10.716 1.00 14.02 H new ATOM 0 HB2 PRO A 7 3.180 -2.290 -9.548 1.00 22.53 H new ATOM 0 HB3 PRO A 7 2.180 -0.873 -9.295 1.00 22.53 H new ATOM 0 HG2 PRO A 7 2.573 -3.257 -7.497 1.00 43.30 H new ATOM 0 HG3 PRO A 7 2.512 -1.558 -7.073 1.00 43.30 H new ATOM 0 HD2 PRO A 7 0.362 -3.192 -6.728 1.00 12.21 H new ATOM 0 HD3 PRO A 7 0.168 -1.493 -7.111 1.00 12.21 H new ATOM 106 N GLY A 8 1.301 -4.188 -11.718 1.00 44.03 N ATOM 107 CA GLY A 8 1.688 -5.434 -12.353 1.00 72.51 C ATOM 108 C GLY A 8 0.494 -6.233 -12.838 1.00 12.40 C ATOM 109 O GLY A 8 0.568 -7.454 -12.977 1.00 61.01 O ATOM 0 H GLY A 8 0.880 -3.501 -12.343 1.00 44.03 H new ATOM 0 HA2 GLY A 8 2.345 -5.220 -13.196 1.00 72.51 H new ATOM 0 HA3 GLY A 8 2.261 -6.035 -11.647 1.00 72.51 H new ATOM 113 N THR A 9 -0.613 -5.542 -13.095 1.00 61.10 N ATOM 114 CA THR A 9 -1.829 -6.194 -13.564 1.00 60.21 C ATOM 115 C THR A 9 -2.022 -5.986 -15.062 1.00 11.53 C ATOM 116 O THR A 9 -1.911 -4.866 -15.562 1.00 53.53 O ATOM 117 CB THR A 9 -3.071 -5.669 -12.820 1.00 10.13 C ATOM 118 OG1 THR A 9 -2.773 -5.497 -11.430 1.00 2.13 O ATOM 119 CG2 THR A 9 -4.242 -6.627 -12.977 1.00 61.25 C ATOM 0 H THR A 9 -0.692 -4.531 -12.986 1.00 61.10 H new ATOM 0 HA THR A 9 -1.715 -7.259 -13.360 1.00 60.21 H new ATOM 0 HB THR A 9 -3.347 -4.708 -13.254 1.00 10.13 H new ATOM 0 HG1 THR A 9 -2.506 -4.569 -11.265 1.00 2.13 H new ATOM 0 HG21 THR A 9 -5.107 -6.235 -12.443 1.00 61.25 H new ATOM 0 HG22 THR A 9 -4.486 -6.734 -14.034 1.00 61.25 H new ATOM 0 HG23 THR A 9 -3.973 -7.600 -12.567 1.00 61.25 H new ATOM 127 N LEU A 10 -2.312 -7.070 -15.773 1.00 11.43 N ATOM 128 CA LEU A 10 -2.522 -7.005 -17.215 1.00 21.11 C ATOM 129 C LEU A 10 -4.005 -6.871 -17.544 1.00 33.31 C ATOM 130 O LEU A 10 -4.800 -7.764 -17.249 1.00 14.30 O ATOM 131 CB LEU A 10 -1.949 -8.252 -17.890 1.00 24.53 C ATOM 132 CG LEU A 10 -1.915 -8.233 -19.418 1.00 71.23 C ATOM 133 CD1 LEU A 10 -0.827 -9.158 -19.940 1.00 64.30 C ATOM 134 CD2 LEU A 10 -3.270 -8.628 -19.987 1.00 15.25 C ATOM 0 H LEU A 10 -2.407 -8.004 -15.375 1.00 11.43 H new ATOM 0 HA LEU A 10 -2.004 -6.124 -17.593 1.00 21.11 H new ATOM 0 HB2 LEU A 10 -0.933 -8.403 -17.526 1.00 24.53 H new ATOM 0 HB3 LEU A 10 -2.534 -9.115 -17.570 1.00 24.53 H new ATOM 0 HG LEU A 10 -1.688 -7.218 -19.744 1.00 71.23 H new ATOM 0 HD11 LEU A 10 -0.818 -9.131 -21.030 1.00 64.30 H new ATOM 0 HD12 LEU A 10 0.141 -8.831 -19.561 1.00 64.30 H new ATOM 0 HD13 LEU A 10 -1.023 -10.176 -19.604 1.00 64.30 H new ATOM 0 HD21 LEU A 10 -3.227 -8.609 -21.076 1.00 15.25 H new ATOM 0 HD22 LEU A 10 -3.527 -9.633 -19.652 1.00 15.25 H new ATOM 0 HD23 LEU A 10 -4.028 -7.926 -19.642 1.00 15.25 H new ATOM 146 N VAL A 11 -4.371 -5.751 -18.159 1.00 31.10 N ATOM 147 CA VAL A 11 -5.758 -5.502 -18.532 1.00 14.54 C ATOM 148 C VAL A 11 -5.894 -5.287 -20.035 1.00 5.11 C ATOM 149 O VAL A 11 -4.910 -5.355 -20.773 1.00 13.35 O ATOM 150 CB VAL A 11 -6.325 -4.273 -17.796 1.00 1.32 C ATOM 151 CG1 VAL A 11 -6.197 -4.446 -16.290 1.00 73.10 C ATOM 152 CG2 VAL A 11 -5.621 -3.005 -18.256 1.00 70.23 C ATOM 0 H VAL A 11 -3.726 -5.002 -18.409 1.00 31.10 H new ATOM 0 HA VAL A 11 -6.327 -6.385 -18.242 1.00 14.54 H new ATOM 0 HB VAL A 11 -7.384 -4.183 -18.039 1.00 1.32 H new ATOM 0 HG11 VAL A 11 -6.603 -3.568 -15.787 1.00 73.10 H new ATOM 0 HG12 VAL A 11 -6.750 -5.331 -15.977 1.00 73.10 H new ATOM 0 HG13 VAL A 11 -5.146 -4.563 -16.025 1.00 73.10 H new ATOM 0 HG21 VAL A 11 -6.034 -2.147 -17.726 1.00 70.23 H new ATOM 0 HG22 VAL A 11 -4.555 -3.084 -18.044 1.00 70.23 H new ATOM 0 HG23 VAL A 11 -5.769 -2.875 -19.328 1.00 70.23 H new ATOM 162 N TRP A 12 -7.117 -5.027 -20.482 1.00 22.50 N ATOM 163 CA TRP A 12 -7.381 -4.802 -21.899 1.00 22.13 C ATOM 164 C TRP A 12 -7.896 -3.387 -22.138 1.00 60.20 C ATOM 165 O TRP A 12 -8.786 -2.912 -21.431 1.00 61.03 O ATOM 166 CB TRP A 12 -8.395 -5.822 -22.418 1.00 72.30 C ATOM 167 CG TRP A 12 -7.772 -7.120 -22.836 1.00 11.14 C ATOM 168 CD1 TRP A 12 -6.593 -7.644 -22.389 1.00 3.10 C ATOM 169 CD2 TRP A 12 -8.295 -8.056 -23.784 1.00 55.34 C ATOM 170 NE1 TRP A 12 -6.351 -8.849 -23.003 1.00 73.11 N ATOM 171 CE2 TRP A 12 -7.381 -9.125 -23.863 1.00 14.41 C ATOM 172 CE3 TRP A 12 -9.448 -8.096 -24.574 1.00 10.24 C ATOM 173 CZ2 TRP A 12 -7.586 -10.218 -24.700 1.00 23.30 C ATOM 174 CZ3 TRP A 12 -9.649 -9.182 -25.404 1.00 51.20 C ATOM 175 CH2 TRP A 12 -8.722 -10.231 -25.462 1.00 35.44 C ATOM 0 H TRP A 12 -7.941 -4.967 -19.884 1.00 22.50 H new ATOM 0 HA TRP A 12 -6.444 -4.924 -22.442 1.00 22.13 H new ATOM 0 HB2 TRP A 12 -9.135 -6.016 -21.641 1.00 72.30 H new ATOM 0 HB3 TRP A 12 -8.929 -5.394 -23.266 1.00 72.30 H new ATOM 0 HD1 TRP A 12 -5.946 -7.179 -21.660 1.00 3.10 H new ATOM 0 HE1 TRP A 12 -5.536 -9.442 -22.844 1.00 73.11 H new ATOM 0 HE3 TRP A 12 -10.169 -7.292 -24.536 1.00 10.24 H new ATOM 0 HZ2 TRP A 12 -6.873 -11.028 -24.746 1.00 23.30 H new ATOM 0 HZ3 TRP A 12 -10.536 -9.223 -26.019 1.00 51.20 H new ATOM 0 HH2 TRP A 12 -8.908 -11.066 -26.121 1.00 35.44 H new ATOM 186 N LEU A 13 -7.332 -2.718 -23.138 1.00 34.41 N ATOM 187 CA LEU A 13 -7.736 -1.356 -23.471 1.00 23.54 C ATOM 188 C LEU A 13 -8.417 -1.308 -24.835 1.00 21.25 C ATOM 189 O LEU A 13 -7.808 -1.625 -25.857 1.00 1.24 O ATOM 190 CB LEU A 13 -6.521 -0.427 -23.461 1.00 62.15 C ATOM 191 CG LEU A 13 -6.610 0.785 -22.534 1.00 52.52 C ATOM 192 CD1 LEU A 13 -5.506 0.741 -21.490 1.00 1.25 C ATOM 193 CD2 LEU A 13 -6.537 2.077 -23.336 1.00 62.32 C ATOM 0 H LEU A 13 -6.594 -3.096 -23.732 1.00 34.41 H new ATOM 0 HA LEU A 13 -8.449 -1.020 -22.718 1.00 23.54 H new ATOM 0 HB2 LEU A 13 -5.645 -1.011 -23.179 1.00 62.15 H new ATOM 0 HB3 LEU A 13 -6.353 -0.070 -24.477 1.00 62.15 H new ATOM 0 HG LEU A 13 -7.570 0.754 -22.019 1.00 52.52 H new ATOM 0 HD11 LEU A 13 -5.586 1.612 -20.839 1.00 1.25 H new ATOM 0 HD12 LEU A 13 -5.604 -0.167 -20.895 1.00 1.25 H new ATOM 0 HD13 LEU A 13 -4.536 0.746 -21.986 1.00 1.25 H new ATOM 0 HD21 LEU A 13 -6.602 2.929 -22.660 1.00 62.32 H new ATOM 0 HD22 LEU A 13 -5.592 2.116 -23.879 1.00 62.32 H new ATOM 0 HD23 LEU A 13 -7.364 2.113 -24.045 1.00 62.32 H new ATOM 205 N LYS A 14 -9.684 -0.908 -24.843 1.00 42.35 N ATOM 206 CA LYS A 14 -10.448 -0.814 -26.081 1.00 54.25 C ATOM 207 C LYS A 14 -10.638 0.642 -26.495 1.00 4.21 C ATOM 208 O LYS A 14 -11.484 1.347 -25.946 1.00 74.24 O ATOM 209 CB LYS A 14 -11.812 -1.489 -25.916 1.00 25.23 C ATOM 210 CG LYS A 14 -12.468 -1.865 -27.233 1.00 32.33 C ATOM 211 CD LYS A 14 -13.237 -0.697 -27.826 1.00 44.34 C ATOM 212 CE LYS A 14 -14.684 -1.068 -28.110 1.00 12.11 C ATOM 213 NZ LYS A 14 -15.522 0.133 -28.379 1.00 53.22 N ATOM 0 H LYS A 14 -10.203 -0.644 -24.006 1.00 42.35 H new ATOM 0 HA LYS A 14 -9.887 -1.326 -26.863 1.00 54.25 H new ATOM 0 HB2 LYS A 14 -11.693 -2.387 -25.310 1.00 25.23 H new ATOM 0 HB3 LYS A 14 -12.475 -0.820 -25.367 1.00 25.23 H new ATOM 0 HG2 LYS A 14 -11.706 -2.196 -27.939 1.00 32.33 H new ATOM 0 HG3 LYS A 14 -13.144 -2.705 -27.077 1.00 32.33 H new ATOM 0 HD2 LYS A 14 -13.205 0.148 -27.138 1.00 44.34 H new ATOM 0 HD3 LYS A 14 -12.755 -0.374 -28.749 1.00 44.34 H new ATOM 0 HE2 LYS A 14 -14.725 -1.739 -28.968 1.00 12.11 H new ATOM 0 HE3 LYS A 14 -15.093 -1.613 -27.259 1.00 12.11 H new ATOM 0 HZ1 LYS A 14 -16.501 -0.162 -28.568 1.00 53.22 H new ATOM 0 HZ2 LYS A 14 -15.504 0.762 -27.551 1.00 53.22 H new ATOM 0 HZ3 LYS A 14 -15.147 0.639 -29.206 1.00 53.22 H new ATOM 227 N GLN A 15 -9.845 1.085 -27.466 1.00 22.15 N ATOM 228 CA GLN A 15 -9.927 2.457 -27.952 1.00 63.01 C ATOM 229 C GLN A 15 -11.278 2.722 -28.608 1.00 0.35 C ATOM 230 O GLN A 15 -12.013 1.791 -28.936 1.00 13.04 O ATOM 231 CB GLN A 15 -8.800 2.735 -28.948 1.00 41.33 C ATOM 232 CG GLN A 15 -7.650 3.535 -28.358 1.00 43.11 C ATOM 233 CD GLN A 15 -7.884 5.031 -28.425 1.00 53.32 C ATOM 234 OE1 GLN A 15 -8.832 5.495 -29.060 1.00 62.14 O ATOM 235 NE2 GLN A 15 -7.020 5.796 -27.768 1.00 52.33 N ATOM 0 H GLN A 15 -9.139 0.514 -27.931 1.00 22.15 H new ATOM 0 HA GLN A 15 -9.821 3.126 -27.098 1.00 63.01 H new ATOM 0 HB2 GLN A 15 -8.417 1.786 -29.324 1.00 41.33 H new ATOM 0 HB3 GLN A 15 -9.207 3.276 -29.803 1.00 41.33 H new ATOM 0 HG2 GLN A 15 -7.503 3.240 -27.319 1.00 43.11 H new ATOM 0 HG3 GLN A 15 -6.731 3.291 -28.891 1.00 43.11 H new ATOM 0 HE21 GLN A 15 -6.249 5.369 -27.255 1.00 52.33 H new ATOM 0 HE22 GLN A 15 -7.128 6.810 -27.777 1.00 52.33 H new ATOM 244 N ASP A 16 -11.599 3.998 -28.795 1.00 23.22 N ATOM 245 CA ASP A 16 -12.862 4.386 -29.412 1.00 23.01 C ATOM 246 C ASP A 16 -12.933 3.900 -30.856 1.00 62.02 C ATOM 247 O ASP A 16 -13.894 3.241 -31.253 1.00 51.21 O ATOM 248 CB ASP A 16 -13.032 5.905 -29.363 1.00 11.11 C ATOM 249 CG ASP A 16 -13.521 6.390 -28.012 1.00 61.41 C ATOM 250 OD1 ASP A 16 -14.576 7.057 -27.967 1.00 21.21 O ATOM 251 OD2 ASP A 16 -12.849 6.101 -27.000 1.00 71.11 O ATOM 0 H ASP A 16 -11.002 4.781 -28.528 1.00 23.22 H new ATOM 0 HA ASP A 16 -13.671 3.919 -28.850 1.00 23.01 H new ATOM 0 HB2 ASP A 16 -12.079 6.382 -29.594 1.00 11.11 H new ATOM 0 HB3 ASP A 16 -13.738 6.214 -30.134 1.00 11.11 H new ATOM 256 N ARG A 17 -11.910 4.230 -31.637 1.00 43.44 N ATOM 257 CA ARG A 17 -11.858 3.830 -33.038 1.00 65.42 C ATOM 258 C ARG A 17 -11.006 2.575 -33.213 1.00 54.34 C ATOM 259 O ARG A 17 -11.220 1.791 -34.138 1.00 54.44 O ATOM 260 CB ARG A 17 -11.294 4.965 -33.895 1.00 31.11 C ATOM 261 CG ARG A 17 -12.312 5.572 -34.847 1.00 3.44 C ATOM 262 CD ARG A 17 -11.679 6.631 -35.736 1.00 54.15 C ATOM 263 NE ARG A 17 -11.812 7.971 -35.171 1.00 43.33 N ATOM 264 CZ ARG A 17 -11.041 8.995 -35.521 1.00 12.54 C ATOM 265 NH1 ARG A 17 -10.089 8.834 -36.429 1.00 20.52 N ATOM 266 NH2 ARG A 17 -11.223 10.185 -34.961 1.00 70.03 N ATOM 0 H ARG A 17 -11.106 4.773 -31.323 1.00 43.44 H new ATOM 0 HA ARG A 17 -12.874 3.608 -33.364 1.00 65.42 H new ATOM 0 HB2 ARG A 17 -10.910 5.747 -33.240 1.00 31.11 H new ATOM 0 HB3 ARG A 17 -10.449 4.588 -34.472 1.00 31.11 H new ATOM 0 HG2 ARG A 17 -12.746 4.787 -35.466 1.00 3.44 H new ATOM 0 HG3 ARG A 17 -13.128 6.015 -34.276 1.00 3.44 H new ATOM 0 HD2 ARG A 17 -10.623 6.401 -35.878 1.00 54.15 H new ATOM 0 HD3 ARG A 17 -12.146 6.605 -36.720 1.00 54.15 H new ATOM 0 HE ARG A 17 -12.536 8.129 -34.470 1.00 43.33 H new ATOM 0 HH11 ARG A 17 -9.946 7.922 -36.862 1.00 20.52 H new ATOM 0 HH12 ARG A 17 -9.499 9.623 -36.695 1.00 20.52 H new ATOM 0 HH21 ARG A 17 -11.955 10.313 -34.262 1.00 70.03 H new ATOM 0 HH22 ARG A 17 -10.631 10.971 -35.230 1.00 70.03 H new ATOM 280 N PHE A 18 -10.040 2.392 -32.319 1.00 54.44 N ATOM 281 CA PHE A 18 -9.156 1.234 -32.376 1.00 2.42 C ATOM 282 C PHE A 18 -9.738 0.066 -31.586 1.00 53.00 C ATOM 283 O PHE A 18 -10.560 0.240 -30.686 1.00 52.40 O ATOM 284 CB PHE A 18 -7.773 1.595 -31.829 1.00 50.32 C ATOM 285 CG PHE A 18 -6.710 1.665 -32.888 1.00 4.34 C ATOM 286 CD1 PHE A 18 -6.940 2.339 -34.076 1.00 3.40 C ATOM 287 CD2 PHE A 18 -5.480 1.057 -32.694 1.00 60.42 C ATOM 288 CE1 PHE A 18 -5.963 2.406 -35.052 1.00 11.21 C ATOM 289 CE2 PHE A 18 -4.500 1.120 -33.666 1.00 44.32 C ATOM 290 CZ PHE A 18 -4.742 1.795 -34.847 1.00 22.21 C ATOM 0 H PHE A 18 -9.850 3.031 -31.547 1.00 54.44 H new ATOM 0 HA PHE A 18 -9.060 0.932 -33.419 1.00 2.42 H new ATOM 0 HB2 PHE A 18 -7.832 2.557 -31.320 1.00 50.32 H new ATOM 0 HB3 PHE A 18 -7.482 0.857 -31.082 1.00 50.32 H new ATOM 0 HD1 PHE A 18 -7.894 2.818 -34.242 1.00 3.40 H new ATOM 0 HD2 PHE A 18 -5.285 0.528 -31.773 1.00 60.42 H new ATOM 0 HE1 PHE A 18 -6.155 2.936 -35.974 1.00 11.21 H new ATOM 0 HE2 PHE A 18 -3.545 0.642 -33.503 1.00 44.32 H new ATOM 0 HZ PHE A 18 -3.978 1.845 -35.608 1.00 22.21 H new ATOM 300 N PRO A 19 -9.304 -1.155 -31.930 1.00 63.32 N ATOM 301 CA PRO A 19 -9.768 -2.377 -31.266 1.00 72.15 C ATOM 302 C PRO A 19 -9.255 -2.490 -29.835 1.00 65.42 C ATOM 303 O PRO A 19 -8.696 -1.539 -29.289 1.00 54.22 O ATOM 304 CB PRO A 19 -9.185 -3.496 -32.134 1.00 15.50 C ATOM 305 CG PRO A 19 -7.989 -2.888 -32.782 1.00 74.10 C ATOM 306 CD PRO A 19 -8.325 -1.438 -32.993 1.00 42.45 C ATOM 0 HA PRO A 19 -10.854 -2.407 -31.181 1.00 72.15 H new ATOM 0 HB2 PRO A 19 -8.912 -4.363 -31.532 1.00 15.50 H new ATOM 0 HB3 PRO A 19 -9.906 -3.838 -32.876 1.00 15.50 H new ATOM 0 HG2 PRO A 19 -7.106 -2.996 -32.152 1.00 74.10 H new ATOM 0 HG3 PRO A 19 -7.767 -3.379 -33.729 1.00 74.10 H new ATOM 0 HD2 PRO A 19 -7.442 -0.804 -32.905 1.00 42.45 H new ATOM 0 HD3 PRO A 19 -8.746 -1.263 -33.983 1.00 42.45 H new ATOM 314 N TRP A 20 -9.446 -3.659 -29.234 1.00 12.21 N ATOM 315 CA TRP A 20 -9.001 -3.896 -27.865 1.00 53.13 C ATOM 316 C TRP A 20 -7.678 -4.652 -27.847 1.00 25.25 C ATOM 317 O TRP A 20 -7.578 -5.760 -28.375 1.00 3.43 O ATOM 318 CB TRP A 20 -10.062 -4.680 -27.091 1.00 21.20 C ATOM 319 CG TRP A 20 -10.576 -5.876 -27.834 1.00 15.03 C ATOM 320 CD1 TRP A 20 -10.052 -7.137 -27.821 1.00 42.21 C ATOM 321 CD2 TRP A 20 -11.716 -5.922 -28.699 1.00 42.05 C ATOM 322 NE1 TRP A 20 -10.796 -7.964 -28.627 1.00 54.10 N ATOM 323 CE2 TRP A 20 -11.823 -7.243 -29.177 1.00 33.04 C ATOM 324 CE3 TRP A 20 -12.657 -4.977 -29.116 1.00 43.35 C ATOM 325 CZ2 TRP A 20 -12.833 -7.639 -30.050 1.00 11.13 C ATOM 326 CZ3 TRP A 20 -13.658 -5.371 -29.983 1.00 71.12 C ATOM 327 CH2 TRP A 20 -13.741 -6.693 -30.442 1.00 4.33 C ATOM 0 H TRP A 20 -9.906 -4.457 -29.672 1.00 12.21 H new ATOM 0 HA TRP A 20 -8.852 -2.929 -27.384 1.00 53.13 H new ATOM 0 HB2 TRP A 20 -9.641 -5.005 -26.140 1.00 21.20 H new ATOM 0 HB3 TRP A 20 -10.897 -4.018 -26.861 1.00 21.20 H new ATOM 0 HD1 TRP A 20 -9.181 -7.440 -27.259 1.00 42.21 H new ATOM 0 HE1 TRP A 20 -10.613 -8.954 -28.790 1.00 54.10 H new ATOM 0 HE3 TRP A 20 -12.603 -3.956 -28.767 1.00 43.35 H new ATOM 0 HZ2 TRP A 20 -12.898 -8.657 -30.405 1.00 11.13 H new ATOM 0 HZ3 TRP A 20 -14.389 -4.648 -30.313 1.00 71.12 H new ATOM 0 HH2 TRP A 20 -14.537 -6.970 -31.118 1.00 4.33 H new ATOM 338 N TRP A 21 -6.665 -4.048 -27.236 1.00 22.13 N ATOM 339 CA TRP A 21 -5.347 -4.666 -27.149 1.00 24.24 C ATOM 340 C TRP A 21 -4.900 -4.793 -25.696 1.00 61.55 C ATOM 341 O TRP A 21 -5.320 -4.034 -24.824 1.00 15.41 O ATOM 342 CB TRP A 21 -4.324 -3.849 -27.940 1.00 12.21 C ATOM 343 CG TRP A 21 -4.556 -2.370 -27.860 1.00 61.22 C ATOM 344 CD1 TRP A 21 -5.092 -1.571 -28.830 1.00 25.14 C ATOM 345 CD2 TRP A 21 -4.257 -1.515 -26.752 1.00 13.42 C ATOM 346 NE1 TRP A 21 -5.144 -0.270 -28.391 1.00 22.15 N ATOM 347 CE2 TRP A 21 -4.639 -0.209 -27.119 1.00 21.13 C ATOM 348 CE3 TRP A 21 -3.707 -1.724 -25.485 1.00 20.24 C ATOM 349 CZ2 TRP A 21 -4.485 0.879 -26.264 1.00 35.14 C ATOM 350 CZ3 TRP A 21 -3.555 -0.643 -24.637 1.00 71.22 C ATOM 351 CH2 TRP A 21 -3.944 0.645 -25.029 1.00 22.20 C ATOM 0 H TRP A 21 -6.731 -3.131 -26.794 1.00 22.13 H new ATOM 0 HA TRP A 21 -5.413 -5.666 -27.578 1.00 24.24 H new ATOM 0 HB2 TRP A 21 -3.324 -4.074 -27.568 1.00 12.21 H new ATOM 0 HB3 TRP A 21 -4.352 -4.158 -28.985 1.00 12.21 H new ATOM 0 HD1 TRP A 21 -5.426 -1.912 -29.799 1.00 25.14 H new ATOM 0 HE1 TRP A 21 -5.501 0.522 -28.926 1.00 22.15 H new ATOM 0 HE3 TRP A 21 -3.406 -2.713 -25.173 1.00 20.24 H new ATOM 0 HZ2 TRP A 21 -4.782 1.873 -26.565 1.00 35.14 H new ATOM 0 HZ3 TRP A 21 -3.129 -0.794 -23.656 1.00 71.22 H new ATOM 0 HH2 TRP A 21 -3.814 1.469 -24.343 1.00 22.20 H new ATOM 362 N PRO A 22 -4.027 -5.776 -25.429 1.00 30.05 N ATOM 363 CA PRO A 22 -3.504 -6.025 -24.082 1.00 1.21 C ATOM 364 C PRO A 22 -2.558 -4.924 -23.615 1.00 1.20 C ATOM 365 O PRO A 22 -1.894 -4.278 -24.424 1.00 64.15 O ATOM 366 CB PRO A 22 -2.751 -7.349 -24.233 1.00 44.30 C ATOM 367 CG PRO A 22 -2.374 -7.408 -25.673 1.00 72.22 C ATOM 368 CD PRO A 22 -3.483 -6.719 -26.420 1.00 31.53 C ATOM 0 HA PRO A 22 -4.298 -6.053 -23.335 1.00 1.21 H new ATOM 0 HB2 PRO A 22 -1.870 -7.379 -23.592 1.00 44.30 H new ATOM 0 HB3 PRO A 22 -3.378 -8.195 -23.953 1.00 44.30 H new ATOM 0 HG2 PRO A 22 -1.419 -6.912 -25.847 1.00 72.22 H new ATOM 0 HG3 PRO A 22 -2.262 -8.440 -26.005 1.00 72.22 H new ATOM 0 HD2 PRO A 22 -3.111 -6.202 -27.305 1.00 31.53 H new ATOM 0 HD3 PRO A 22 -4.240 -7.427 -26.759 1.00 31.53 H new ATOM 376 N GLY A 23 -2.501 -4.715 -22.303 1.00 35.10 N ATOM 377 CA GLY A 23 -1.633 -3.691 -21.751 1.00 72.53 C ATOM 378 C GLY A 23 -1.361 -3.896 -20.274 1.00 60.43 C ATOM 379 O GLY A 23 -2.286 -4.097 -19.487 1.00 71.51 O ATOM 0 H GLY A 23 -3.041 -5.237 -21.612 1.00 35.10 H new ATOM 0 HA2 GLY A 23 -0.688 -3.688 -22.294 1.00 72.53 H new ATOM 0 HA3 GLY A 23 -2.090 -2.713 -21.901 1.00 72.53 H new ATOM 383 N PHE A 24 -0.088 -3.847 -19.897 1.00 21.35 N ATOM 384 CA PHE A 24 0.304 -4.032 -18.504 1.00 41.11 C ATOM 385 C PHE A 24 0.221 -2.716 -17.737 1.00 14.35 C ATOM 386 O PHE A 24 0.766 -1.699 -18.165 1.00 1.53 O ATOM 387 CB PHE A 24 1.725 -4.594 -18.422 1.00 51.23 C ATOM 388 CG PHE A 24 1.901 -5.624 -17.344 1.00 11.05 C ATOM 389 CD1 PHE A 24 1.086 -6.744 -17.297 1.00 1.42 C ATOM 390 CD2 PHE A 24 2.881 -5.472 -16.376 1.00 31.42 C ATOM 391 CE1 PHE A 24 1.246 -7.694 -16.306 1.00 14.23 C ATOM 392 CE2 PHE A 24 3.045 -6.419 -15.383 1.00 24.34 C ATOM 393 CZ PHE A 24 2.226 -7.531 -15.347 1.00 10.32 C ATOM 0 H PHE A 24 0.690 -3.681 -20.536 1.00 21.35 H new ATOM 0 HA PHE A 24 -0.387 -4.742 -18.049 1.00 41.11 H new ATOM 0 HB2 PHE A 24 1.988 -5.037 -19.383 1.00 51.23 H new ATOM 0 HB3 PHE A 24 2.422 -3.774 -18.247 1.00 51.23 H new ATOM 0 HD1 PHE A 24 0.317 -6.876 -18.044 1.00 1.42 H new ATOM 0 HD2 PHE A 24 3.523 -4.604 -16.398 1.00 31.42 H new ATOM 0 HE1 PHE A 24 0.605 -8.563 -16.282 1.00 14.23 H new ATOM 0 HE2 PHE A 24 3.813 -6.290 -14.635 1.00 24.34 H new ATOM 0 HZ PHE A 24 2.352 -8.271 -14.571 1.00 10.32 H new ATOM 403 N VAL A 25 -0.467 -2.743 -16.599 1.00 72.33 N ATOM 404 CA VAL A 25 -0.623 -1.554 -15.771 1.00 4.32 C ATOM 405 C VAL A 25 0.622 -1.307 -14.925 1.00 54.42 C ATOM 406 O VAL A 25 0.986 -2.128 -14.084 1.00 52.31 O ATOM 407 CB VAL A 25 -1.846 -1.672 -14.842 1.00 63.42 C ATOM 408 CG1 VAL A 25 -1.972 -0.436 -13.965 1.00 21.54 C ATOM 409 CG2 VAL A 25 -3.113 -1.890 -15.656 1.00 24.33 C ATOM 0 H VAL A 25 -0.925 -3.576 -16.230 1.00 72.33 H new ATOM 0 HA VAL A 25 -0.772 -0.714 -16.449 1.00 4.32 H new ATOM 0 HB VAL A 25 -1.705 -2.536 -14.192 1.00 63.42 H new ATOM 0 HG11 VAL A 25 -2.842 -0.538 -13.316 1.00 21.54 H new ATOM 0 HG12 VAL A 25 -1.075 -0.329 -13.356 1.00 21.54 H new ATOM 0 HG13 VAL A 25 -2.090 0.446 -14.594 1.00 21.54 H new ATOM 0 HG21 VAL A 25 -3.968 -1.971 -14.984 1.00 24.33 H new ATOM 0 HG22 VAL A 25 -3.261 -1.047 -16.331 1.00 24.33 H new ATOM 0 HG23 VAL A 25 -3.019 -2.808 -16.236 1.00 24.33 H new ATOM 419 N MET A 26 1.270 -0.169 -15.154 1.00 73.13 N ATOM 420 CA MET A 26 2.473 0.187 -14.412 1.00 1.23 C ATOM 421 C MET A 26 2.426 1.646 -13.967 1.00 34.41 C ATOM 422 O MET A 26 1.958 2.514 -14.704 1.00 34.15 O ATOM 423 CB MET A 26 3.717 -0.057 -15.268 1.00 4.24 C ATOM 424 CG MET A 26 4.013 -1.529 -15.505 1.00 12.03 C ATOM 425 SD MET A 26 5.758 -1.930 -15.291 1.00 74.52 S ATOM 426 CE MET A 26 5.769 -2.496 -13.592 1.00 4.24 C ATOM 0 H MET A 26 0.982 0.522 -15.847 1.00 73.13 H new ATOM 0 HA MET A 26 2.522 -0.444 -13.524 1.00 1.23 H new ATOM 0 HB2 MET A 26 3.589 0.439 -16.230 1.00 4.24 H new ATOM 0 HB3 MET A 26 4.577 0.405 -14.784 1.00 4.24 H new ATOM 0 HG2 MET A 26 3.419 -2.130 -14.817 1.00 12.03 H new ATOM 0 HG3 MET A 26 3.703 -1.800 -16.514 1.00 12.03 H new ATOM 0 HE1 MET A 26 6.783 -2.781 -13.310 1.00 4.24 H new ATOM 0 HE2 MET A 26 5.423 -1.695 -12.939 1.00 4.24 H new ATOM 0 HE3 MET A 26 5.108 -3.357 -13.491 1.00 4.24 H new ATOM 436 N ASP A 27 2.912 1.907 -12.759 1.00 2.02 N ATOM 437 CA ASP A 27 2.926 3.261 -12.217 1.00 33.35 C ATOM 438 C ASP A 27 4.248 3.957 -12.526 1.00 35.33 C ATOM 439 O ASP A 27 5.318 3.348 -12.505 1.00 55.00 O ATOM 440 CB ASP A 27 2.693 3.230 -10.705 1.00 74.13 C ATOM 441 CG ASP A 27 3.935 2.827 -9.936 1.00 3.42 C ATOM 442 OD1 ASP A 27 3.991 1.674 -9.459 1.00 13.42 O ATOM 443 OD2 ASP A 27 4.853 3.665 -9.811 1.00 53.13 O ATOM 0 H ASP A 27 3.301 1.199 -12.136 1.00 2.02 H new ATOM 0 HA ASP A 27 2.121 3.824 -12.690 1.00 33.35 H new ATOM 0 HB2 ASP A 27 2.366 4.214 -10.371 1.00 74.13 H new ATOM 0 HB3 ASP A 27 1.887 2.532 -10.479 1.00 74.13 H new ATOM 448 N PRO A 28 4.174 5.263 -12.821 1.00 10.14 N ATOM 449 CA PRO A 28 5.355 6.070 -13.140 1.00 42.25 C ATOM 450 C PRO A 28 6.250 6.294 -11.926 1.00 41.44 C ATOM 451 O PRO A 28 7.476 6.304 -12.040 1.00 71.12 O ATOM 452 CB PRO A 28 4.760 7.397 -13.618 1.00 74.11 C ATOM 453 CG PRO A 28 3.424 7.471 -12.962 1.00 21.41 C ATOM 454 CD PRO A 28 2.932 6.053 -12.864 1.00 40.10 C ATOM 0 HA PRO A 28 5.993 5.583 -13.877 1.00 42.25 H new ATOM 0 HB2 PRO A 28 5.389 8.239 -13.331 1.00 74.11 H new ATOM 0 HB3 PRO A 28 4.670 7.422 -14.704 1.00 74.11 H new ATOM 0 HG2 PRO A 28 3.499 7.927 -11.975 1.00 21.41 H new ATOM 0 HG3 PRO A 28 2.736 8.083 -13.545 1.00 21.41 H new ATOM 0 HD2 PRO A 28 2.326 5.899 -11.971 1.00 40.10 H new ATOM 0 HD3 PRO A 28 2.313 5.782 -13.719 1.00 40.10 H new ATOM 462 N ASP A 29 5.630 6.474 -10.765 1.00 40.04 N ATOM 463 CA ASP A 29 6.371 6.697 -9.529 1.00 60.32 C ATOM 464 C ASP A 29 5.422 6.820 -8.341 1.00 72.43 C ATOM 465 O ASP A 29 5.548 7.733 -7.526 1.00 62.42 O ATOM 466 CB ASP A 29 7.230 7.957 -9.644 1.00 53.13 C ATOM 467 CG ASP A 29 8.559 7.819 -8.928 1.00 40.35 C ATOM 468 OD1 ASP A 29 9.505 8.553 -9.286 1.00 14.12 O ATOM 469 OD2 ASP A 29 8.654 6.978 -8.010 1.00 54.44 O ATOM 0 H ASP A 29 4.616 6.470 -10.654 1.00 40.04 H new ATOM 0 HA ASP A 29 7.021 5.838 -9.364 1.00 60.32 H new ATOM 0 HB2 ASP A 29 7.409 8.176 -10.697 1.00 53.13 H new ATOM 0 HB3 ASP A 29 6.684 8.805 -9.230 1.00 53.13 H new ATOM 474 N GLU A 30 4.471 5.894 -8.252 1.00 3.45 N ATOM 475 CA GLU A 30 3.500 5.901 -7.164 1.00 51.41 C ATOM 476 C GLU A 30 2.618 7.145 -7.230 1.00 3.20 C ATOM 477 O GLU A 30 2.796 8.087 -6.458 1.00 11.43 O ATOM 478 CB GLU A 30 4.214 5.840 -5.812 1.00 70.02 C ATOM 479 CG GLU A 30 5.326 4.806 -5.757 1.00 74.45 C ATOM 480 CD GLU A 30 6.059 4.807 -4.430 1.00 34.40 C ATOM 481 OE1 GLU A 30 6.950 5.662 -4.246 1.00 63.50 O ATOM 482 OE2 GLU A 30 5.741 3.953 -3.576 1.00 1.13 O ATOM 0 H GLU A 30 4.353 5.131 -8.919 1.00 3.45 H new ATOM 0 HA GLU A 30 2.866 5.021 -7.272 1.00 51.41 H new ATOM 0 HB2 GLU A 30 4.631 6.822 -5.586 1.00 70.02 H new ATOM 0 HB3 GLU A 30 3.483 5.617 -5.034 1.00 70.02 H new ATOM 0 HG2 GLU A 30 4.906 3.816 -5.935 1.00 74.45 H new ATOM 0 HG3 GLU A 30 6.037 4.999 -6.560 1.00 74.45 H new ATOM 489 N VAL A 31 1.667 7.141 -8.159 1.00 23.23 N ATOM 490 CA VAL A 31 0.757 8.267 -8.326 1.00 41.52 C ATOM 491 C VAL A 31 -0.543 8.042 -7.562 1.00 42.22 C ATOM 492 O VAL A 31 -1.539 8.727 -7.796 1.00 3.11 O ATOM 493 CB VAL A 31 0.431 8.510 -9.812 1.00 62.50 C ATOM 494 CG1 VAL A 31 1.659 9.018 -10.552 1.00 53.41 C ATOM 495 CG2 VAL A 31 -0.100 7.237 -10.455 1.00 4.03 C ATOM 0 H VAL A 31 1.507 6.370 -8.807 1.00 23.23 H new ATOM 0 HA VAL A 31 1.263 9.145 -7.924 1.00 41.52 H new ATOM 0 HB VAL A 31 -0.344 9.274 -9.876 1.00 62.50 H new ATOM 0 HG11 VAL A 31 1.410 9.184 -11.600 1.00 53.41 H new ATOM 0 HG12 VAL A 31 1.991 9.955 -10.105 1.00 53.41 H new ATOM 0 HG13 VAL A 31 2.458 8.279 -10.482 1.00 53.41 H new ATOM 0 HG21 VAL A 31 -0.325 7.426 -11.505 1.00 4.03 H new ATOM 0 HG22 VAL A 31 0.652 6.451 -10.381 1.00 4.03 H new ATOM 0 HG23 VAL A 31 -1.007 6.921 -9.940 1.00 4.03 H new ATOM 505 N ARG A 32 -0.526 7.078 -6.648 1.00 3.02 N ATOM 506 CA ARG A 32 -1.704 6.762 -5.849 1.00 64.41 C ATOM 507 C ARG A 32 -1.749 7.615 -4.585 1.00 3.00 C ATOM 508 O ARG A 32 -2.823 7.989 -4.115 1.00 11.24 O ATOM 509 CB ARG A 32 -1.710 5.278 -5.476 1.00 63.01 C ATOM 510 CG ARG A 32 -2.670 4.937 -4.348 1.00 40.52 C ATOM 511 CD ARG A 32 -4.095 5.347 -4.687 1.00 2.01 C ATOM 512 NE ARG A 32 -5.062 4.317 -4.319 1.00 35.00 N ATOM 513 CZ ARG A 32 -6.356 4.556 -4.135 1.00 52.11 C ATOM 514 NH1 ARG A 32 -6.835 5.784 -4.285 1.00 24.54 N ATOM 515 NH2 ARG A 32 -7.174 3.566 -3.801 1.00 52.14 N ATOM 0 H ARG A 32 0.290 6.502 -6.442 1.00 3.02 H new ATOM 0 HA ARG A 32 -2.588 6.983 -6.447 1.00 64.41 H new ATOM 0 HB2 ARG A 32 -1.974 4.692 -6.356 1.00 63.01 H new ATOM 0 HB3 ARG A 32 -0.702 4.981 -5.186 1.00 63.01 H new ATOM 0 HG2 ARG A 32 -2.636 3.866 -4.151 1.00 40.52 H new ATOM 0 HG3 ARG A 32 -2.353 5.440 -3.434 1.00 40.52 H new ATOM 0 HD2 ARG A 32 -4.338 6.275 -4.169 1.00 2.01 H new ATOM 0 HD3 ARG A 32 -4.170 5.549 -5.755 1.00 2.01 H new ATOM 0 HE ARG A 32 -4.726 3.362 -4.196 1.00 35.00 H new ATOM 0 HH11 ARG A 32 -6.209 6.548 -4.542 1.00 24.54 H new ATOM 0 HH12 ARG A 32 -7.829 5.965 -4.143 1.00 24.54 H new ATOM 0 HH21 ARG A 32 -6.810 2.620 -3.685 1.00 52.14 H new ATOM 0 HH22 ARG A 32 -8.167 3.751 -3.660 1.00 52.14 H new ATOM 529 N ASP A 33 -0.576 7.918 -4.040 1.00 43.42 N ATOM 530 CA ASP A 33 -0.481 8.728 -2.831 1.00 63.00 C ATOM 531 C ASP A 33 -0.057 10.155 -3.164 1.00 51.14 C ATOM 532 O ASP A 33 -0.465 11.106 -2.497 1.00 31.13 O ATOM 533 CB ASP A 33 0.513 8.104 -1.850 1.00 62.44 C ATOM 534 CG ASP A 33 -0.136 7.716 -0.536 1.00 60.34 C ATOM 535 OD1 ASP A 33 -0.051 8.509 0.425 1.00 61.22 O ATOM 536 OD2 ASP A 33 -0.730 6.619 -0.470 1.00 1.45 O ATOM 0 H ASP A 33 0.322 7.615 -4.416 1.00 43.42 H new ATOM 0 HA ASP A 33 -1.467 8.760 -2.367 1.00 63.00 H new ATOM 0 HB2 ASP A 33 0.962 7.221 -2.305 1.00 62.44 H new ATOM 0 HB3 ASP A 33 1.321 8.810 -1.658 1.00 62.44 H new ATOM 541 N ILE A 34 0.764 10.297 -4.200 1.00 34.53 N ATOM 542 CA ILE A 34 1.242 11.607 -4.621 1.00 1.31 C ATOM 543 C ILE A 34 0.723 11.962 -6.010 1.00 73.21 C ATOM 544 O ILE A 34 1.133 11.370 -7.009 1.00 61.30 O ATOM 545 CB ILE A 34 2.781 11.669 -4.629 1.00 70.14 C ATOM 546 CG1 ILE A 34 3.336 11.295 -3.253 1.00 53.52 C ATOM 547 CG2 ILE A 34 3.253 13.056 -5.038 1.00 43.13 C ATOM 548 CD1 ILE A 34 3.786 9.855 -3.154 1.00 34.33 C ATOM 0 H ILE A 34 1.111 9.520 -4.763 1.00 34.53 H new ATOM 0 HA ILE A 34 0.861 12.329 -3.898 1.00 1.31 H new ATOM 0 HB ILE A 34 3.155 10.950 -5.358 1.00 70.14 H new ATOM 0 HG12 ILE A 34 4.178 11.947 -3.020 1.00 53.52 H new ATOM 0 HG13 ILE A 34 2.571 11.481 -2.499 1.00 53.52 H new ATOM 0 HG21 ILE A 34 4.343 13.084 -5.039 1.00 43.13 H new ATOM 0 HG22 ILE A 34 2.883 13.286 -6.037 1.00 43.13 H new ATOM 0 HG23 ILE A 34 2.872 13.793 -4.331 1.00 43.13 H new ATOM 0 HD11 ILE A 34 4.168 9.661 -2.152 1.00 34.33 H new ATOM 0 HD12 ILE A 34 2.942 9.195 -3.355 1.00 34.33 H new ATOM 0 HD13 ILE A 34 4.574 9.669 -3.884 1.00 34.33 H new ATOM 560 N THR A 35 -0.183 12.934 -6.067 1.00 64.34 N ATOM 561 CA THR A 35 -0.758 13.368 -7.334 1.00 12.52 C ATOM 562 C THR A 35 -0.236 14.744 -7.732 1.00 3.12 C ATOM 563 O THR A 35 -0.655 15.762 -7.180 1.00 0.40 O ATOM 564 CB THR A 35 -2.296 13.416 -7.265 1.00 13.32 C ATOM 565 OG1 THR A 35 -2.778 12.406 -6.372 1.00 73.31 O ATOM 566 CG2 THR A 35 -2.906 13.215 -8.644 1.00 33.13 C ATOM 0 H THR A 35 -0.534 13.435 -5.251 1.00 64.34 H new ATOM 0 HA THR A 35 -0.457 12.637 -8.085 1.00 12.52 H new ATOM 0 HB THR A 35 -2.591 14.398 -6.895 1.00 13.32 H new ATOM 0 HG1 THR A 35 -3.756 12.444 -6.332 1.00 73.31 H new ATOM 0 HG21 THR A 35 -3.993 13.253 -8.570 1.00 33.13 H new ATOM 0 HG22 THR A 35 -2.560 14.003 -9.313 1.00 33.13 H new ATOM 0 HG23 THR A 35 -2.603 12.245 -9.038 1.00 33.13 H new ATOM 574 N LEU A 36 0.681 14.768 -8.693 1.00 0.11 N ATOM 575 CA LEU A 36 1.261 16.020 -9.166 1.00 52.30 C ATOM 576 C LEU A 36 0.905 16.267 -10.629 1.00 32.14 C ATOM 577 O LEU A 36 0.657 15.338 -11.398 1.00 2.11 O ATOM 578 CB LEU A 36 2.781 15.998 -8.996 1.00 71.31 C ATOM 579 CG LEU A 36 3.506 14.793 -9.598 1.00 53.53 C ATOM 580 CD1 LEU A 36 4.390 15.227 -10.757 1.00 5.44 C ATOM 581 CD2 LEU A 36 4.328 14.079 -8.535 1.00 52.52 C ATOM 0 H LEU A 36 1.039 13.935 -9.160 1.00 0.11 H new ATOM 0 HA LEU A 36 0.847 16.832 -8.568 1.00 52.30 H new ATOM 0 HB2 LEU A 36 3.190 16.904 -9.444 1.00 71.31 H new ATOM 0 HB3 LEU A 36 3.008 16.039 -7.931 1.00 71.31 H new ATOM 0 HG LEU A 36 2.759 14.096 -9.979 1.00 53.53 H new ATOM 0 HD11 LEU A 36 4.898 14.357 -11.173 1.00 5.44 H new ATOM 0 HD12 LEU A 36 3.776 15.692 -11.528 1.00 5.44 H new ATOM 0 HD13 LEU A 36 5.130 15.944 -10.401 1.00 5.44 H new ATOM 0 HD21 LEU A 36 4.837 13.225 -8.981 1.00 52.52 H new ATOM 0 HD22 LEU A 36 5.067 14.767 -8.124 1.00 52.52 H new ATOM 0 HD23 LEU A 36 3.670 13.734 -7.738 1.00 52.52 H new ATOM 593 N PRO A 37 0.880 17.548 -11.024 1.00 2.41 N ATOM 594 CA PRO A 37 0.559 17.947 -12.397 1.00 54.04 C ATOM 595 C PRO A 37 1.655 17.561 -13.385 1.00 12.43 C ATOM 596 O PRO A 37 2.834 17.820 -13.148 1.00 42.40 O ATOM 597 CB PRO A 37 0.434 19.470 -12.305 1.00 32.12 C ATOM 598 CG PRO A 37 1.273 19.848 -11.134 1.00 2.24 C ATOM 599 CD PRO A 37 1.165 18.707 -10.161 1.00 31.14 C ATOM 0 HA PRO A 37 -0.341 17.453 -12.764 1.00 54.04 H new ATOM 0 HB2 PRO A 37 0.787 19.952 -13.217 1.00 32.12 H new ATOM 0 HB3 PRO A 37 -0.603 19.774 -12.164 1.00 32.12 H new ATOM 0 HG2 PRO A 37 2.309 20.010 -11.432 1.00 2.24 H new ATOM 0 HG3 PRO A 37 0.921 20.777 -10.686 1.00 2.24 H new ATOM 0 HD2 PRO A 37 2.088 18.571 -9.597 1.00 31.14 H new ATOM 0 HD3 PRO A 37 0.369 18.872 -9.435 1.00 31.14 H new ATOM 607 N GLU A 38 1.257 16.942 -14.492 1.00 20.25 N ATOM 608 CA GLU A 38 2.207 16.521 -15.514 1.00 65.31 C ATOM 609 C GLU A 38 1.491 16.192 -16.821 1.00 11.32 C ATOM 610 O GLU A 38 1.697 16.854 -17.838 1.00 31.45 O ATOM 611 CB GLU A 38 3.000 15.303 -15.035 1.00 3.05 C ATOM 612 CG GLU A 38 4.189 14.965 -15.918 1.00 24.42 C ATOM 613 CD GLU A 38 5.390 14.488 -15.123 1.00 74.00 C ATOM 614 OE1 GLU A 38 5.191 13.748 -14.136 1.00 42.43 O ATOM 615 OE2 GLU A 38 6.526 14.854 -15.487 1.00 4.30 O ATOM 0 H GLU A 38 0.284 16.721 -14.704 1.00 20.25 H new ATOM 0 HA GLU A 38 2.896 17.347 -15.694 1.00 65.31 H new ATOM 0 HB2 GLU A 38 3.352 15.486 -14.020 1.00 3.05 H new ATOM 0 HB3 GLU A 38 2.334 14.441 -14.991 1.00 3.05 H new ATOM 0 HG2 GLU A 38 3.900 14.192 -16.630 1.00 24.42 H new ATOM 0 HG3 GLU A 38 4.468 15.845 -16.498 1.00 24.42 H new ATOM 622 N GLY A 39 0.648 15.165 -16.785 1.00 20.42 N ATOM 623 CA GLY A 39 -0.086 14.765 -17.971 1.00 41.23 C ATOM 624 C GLY A 39 -0.170 13.259 -18.122 1.00 3.14 C ATOM 625 O GLY A 39 -0.994 12.749 -18.881 1.00 4.22 O ATOM 0 H GLY A 39 0.460 14.603 -15.955 1.00 20.42 H new ATOM 0 HA2 GLY A 39 -1.093 15.179 -17.928 1.00 41.23 H new ATOM 0 HA3 GLY A 39 0.395 15.189 -18.852 1.00 41.23 H new ATOM 629 N SER A 40 0.686 12.545 -17.398 1.00 3.14 N ATOM 630 CA SER A 40 0.709 11.088 -17.458 1.00 43.41 C ATOM 631 C SER A 40 0.835 10.489 -16.061 1.00 23.41 C ATOM 632 O SER A 40 1.895 10.557 -15.437 1.00 73.54 O ATOM 633 CB SER A 40 1.868 10.612 -18.336 1.00 74.55 C ATOM 634 OG SER A 40 2.901 11.580 -18.388 1.00 72.01 O ATOM 0 H SER A 40 1.373 12.952 -16.763 1.00 3.14 H new ATOM 0 HA SER A 40 -0.231 10.751 -17.895 1.00 43.41 H new ATOM 0 HB2 SER A 40 2.263 9.675 -17.945 1.00 74.55 H new ATOM 0 HB3 SER A 40 1.505 10.409 -19.344 1.00 74.55 H new ATOM 0 HG SER A 40 3.630 11.250 -18.954 1.00 72.01 H new ATOM 640 N ASP A 41 -0.253 9.902 -15.576 1.00 32.42 N ATOM 641 CA ASP A 41 -0.266 9.288 -14.253 1.00 0.32 C ATOM 642 C ASP A 41 -0.225 7.767 -14.359 1.00 5.03 C ATOM 643 O ASP A 41 0.293 7.086 -13.473 1.00 1.50 O ATOM 644 CB ASP A 41 -1.510 9.724 -13.477 1.00 40.31 C ATOM 645 CG ASP A 41 -2.678 8.778 -13.676 1.00 65.12 C ATOM 646 OD1 ASP A 41 -3.090 8.580 -14.838 1.00 50.24 O ATOM 647 OD2 ASP A 41 -3.178 8.234 -12.670 1.00 13.32 O ATOM 0 H ASP A 41 -1.138 9.838 -16.079 1.00 32.42 H new ATOM 0 HA ASP A 41 0.623 9.621 -13.717 1.00 0.32 H new ATOM 0 HB2 ASP A 41 -1.270 9.782 -12.415 1.00 40.31 H new ATOM 0 HB3 ASP A 41 -1.800 10.726 -13.794 1.00 40.31 H new ATOM 652 N VAL A 42 -0.774 7.239 -15.448 1.00 14.41 N ATOM 653 CA VAL A 42 -0.800 5.799 -15.670 1.00 34.32 C ATOM 654 C VAL A 42 0.092 5.407 -16.842 1.00 51.14 C ATOM 655 O VAL A 42 0.112 6.082 -17.872 1.00 24.50 O ATOM 656 CB VAL A 42 -2.232 5.298 -15.939 1.00 21.13 C ATOM 657 CG1 VAL A 42 -2.234 3.799 -16.198 1.00 3.13 C ATOM 658 CG2 VAL A 42 -3.146 5.647 -14.774 1.00 4.13 C ATOM 0 H VAL A 42 -1.207 7.788 -16.191 1.00 14.41 H new ATOM 0 HA VAL A 42 -0.425 5.332 -14.759 1.00 34.32 H new ATOM 0 HB VAL A 42 -2.611 5.797 -16.831 1.00 21.13 H new ATOM 0 HG11 VAL A 42 -3.254 3.464 -16.386 1.00 3.13 H new ATOM 0 HG12 VAL A 42 -1.614 3.579 -17.067 1.00 3.13 H new ATOM 0 HG13 VAL A 42 -1.836 3.279 -15.327 1.00 3.13 H new ATOM 0 HG21 VAL A 42 -4.153 5.286 -14.981 1.00 4.13 H new ATOM 0 HG22 VAL A 42 -2.772 5.177 -13.864 1.00 4.13 H new ATOM 0 HG23 VAL A 42 -3.169 6.729 -14.641 1.00 4.13 H new ATOM 668 N TRP A 43 0.827 4.313 -16.679 1.00 43.51 N ATOM 669 CA TRP A 43 1.722 3.831 -17.725 1.00 41.22 C ATOM 670 C TRP A 43 1.263 2.476 -18.252 1.00 40.23 C ATOM 671 O TRP A 43 1.387 1.459 -17.570 1.00 5.22 O ATOM 672 CB TRP A 43 3.153 3.728 -17.193 1.00 75.55 C ATOM 673 CG TRP A 43 4.184 4.213 -18.166 1.00 4.31 C ATOM 674 CD1 TRP A 43 4.077 4.246 -19.527 1.00 13.11 C ATOM 675 CD2 TRP A 43 5.481 4.734 -17.851 1.00 74.43 C ATOM 676 NE1 TRP A 43 5.228 4.756 -20.077 1.00 61.54 N ATOM 677 CE2 TRP A 43 6.104 5.063 -19.071 1.00 4.04 C ATOM 678 CE3 TRP A 43 6.174 4.955 -16.659 1.00 2.24 C ATOM 679 CZ2 TRP A 43 7.388 5.600 -19.129 1.00 14.24 C ATOM 680 CZ3 TRP A 43 7.448 5.488 -16.718 1.00 12.12 C ATOM 681 CH2 TRP A 43 8.044 5.807 -17.945 1.00 74.55 C ATOM 0 H TRP A 43 0.821 3.743 -15.833 1.00 43.51 H new ATOM 0 HA TRP A 43 1.699 4.546 -18.547 1.00 41.22 H new ATOM 0 HB2 TRP A 43 3.233 4.305 -16.272 1.00 75.55 H new ATOM 0 HB3 TRP A 43 3.364 2.690 -16.938 1.00 75.55 H new ATOM 0 HD1 TRP A 43 3.214 3.919 -20.089 1.00 13.11 H new ATOM 0 HE1 TRP A 43 5.402 4.885 -21.074 1.00 61.54 H new ATOM 0 HE3 TRP A 43 5.723 4.714 -15.708 1.00 2.24 H new ATOM 0 HZ2 TRP A 43 7.850 5.844 -20.074 1.00 14.24 H new ATOM 0 HZ3 TRP A 43 7.993 5.662 -15.802 1.00 12.12 H new ATOM 0 HH2 TRP A 43 9.040 6.224 -17.957 1.00 74.55 H new ATOM 692 N VAL A 44 0.732 2.469 -19.471 1.00 31.12 N ATOM 693 CA VAL A 44 0.255 1.238 -20.090 1.00 25.22 C ATOM 694 C VAL A 44 1.295 0.665 -21.046 1.00 44.43 C ATOM 695 O VAL A 44 1.631 1.284 -22.057 1.00 71.12 O ATOM 696 CB VAL A 44 -1.060 1.468 -20.857 1.00 71.00 C ATOM 697 CG1 VAL A 44 -1.513 0.185 -21.537 1.00 51.24 C ATOM 698 CG2 VAL A 44 -2.138 1.994 -19.921 1.00 25.34 C ATOM 0 H VAL A 44 0.621 3.302 -20.049 1.00 31.12 H new ATOM 0 HA VAL A 44 0.076 0.527 -19.283 1.00 25.22 H new ATOM 0 HB VAL A 44 -0.884 2.217 -21.629 1.00 71.00 H new ATOM 0 HG11 VAL A 44 -2.444 0.367 -22.074 1.00 51.24 H new ATOM 0 HG12 VAL A 44 -0.747 -0.144 -22.239 1.00 51.24 H new ATOM 0 HG13 VAL A 44 -1.673 -0.588 -20.786 1.00 51.24 H new ATOM 0 HG21 VAL A 44 -3.060 2.151 -20.480 1.00 25.34 H new ATOM 0 HG22 VAL A 44 -2.314 1.270 -19.126 1.00 25.34 H new ATOM 0 HG23 VAL A 44 -1.813 2.939 -19.486 1.00 25.34 H new ATOM 708 N CYS A 45 1.802 -0.519 -20.721 1.00 53.21 N ATOM 709 CA CYS A 45 2.805 -1.176 -21.552 1.00 12.33 C ATOM 710 C CYS A 45 2.158 -2.206 -22.472 1.00 45.45 C ATOM 711 O CYS A 45 1.883 -3.334 -22.062 1.00 14.51 O ATOM 712 CB CYS A 45 3.861 -1.849 -20.675 1.00 23.41 C ATOM 713 SG CYS A 45 5.352 -2.350 -21.568 1.00 34.21 S ATOM 0 H CYS A 45 1.535 -1.044 -19.888 1.00 53.21 H new ATOM 0 HA CYS A 45 3.286 -0.416 -22.169 1.00 12.33 H new ATOM 0 HB2 CYS A 45 4.143 -1.165 -19.874 1.00 23.41 H new ATOM 0 HB3 CYS A 45 3.420 -2.727 -20.204 1.00 23.41 H new ATOM 0 HG CYS A 45 6.186 -2.908 -20.741 1.00 34.21 H new ATOM 719 N CYS A 46 1.918 -1.810 -23.718 1.00 3.15 N ATOM 720 CA CYS A 46 1.302 -2.698 -24.697 1.00 34.14 C ATOM 721 C CYS A 46 2.282 -3.777 -25.145 1.00 73.20 C ATOM 722 O CYS A 46 3.477 -3.704 -24.857 1.00 42.34 O ATOM 723 CB CYS A 46 0.816 -1.899 -25.906 1.00 52.45 C ATOM 724 SG CYS A 46 -0.661 -2.579 -26.696 1.00 73.53 S ATOM 0 H CYS A 46 2.141 -0.880 -24.073 1.00 3.15 H new ATOM 0 HA CYS A 46 0.448 -3.183 -24.224 1.00 34.14 H new ATOM 0 HB2 CYS A 46 0.609 -0.876 -25.592 1.00 52.45 H new ATOM 0 HB3 CYS A 46 1.619 -1.850 -26.642 1.00 52.45 H new ATOM 0 HG CYS A 46 -1.722 -2.119 -26.101 1.00 73.53 H new ATOM 730 N LEU A 47 1.768 -4.779 -25.850 1.00 22.44 N ATOM 731 CA LEU A 47 2.598 -5.876 -26.337 1.00 12.00 C ATOM 732 C LEU A 47 3.587 -5.385 -27.389 1.00 53.52 C ATOM 733 O LEU A 47 3.404 -4.335 -28.006 1.00 73.15 O ATOM 734 CB LEU A 47 1.721 -6.984 -26.923 1.00 54.30 C ATOM 735 CG LEU A 47 1.536 -6.961 -28.441 1.00 31.42 C ATOM 736 CD1 LEU A 47 0.704 -8.151 -28.895 1.00 12.42 C ATOM 737 CD2 LEU A 47 0.889 -5.656 -28.880 1.00 74.21 C ATOM 0 H LEU A 47 0.781 -4.855 -26.097 1.00 22.44 H new ATOM 0 HA LEU A 47 3.161 -6.275 -25.493 1.00 12.00 H new ATOM 0 HB2 LEU A 47 2.151 -7.946 -26.644 1.00 54.30 H new ATOM 0 HB3 LEU A 47 0.738 -6.927 -26.456 1.00 54.30 H new ATOM 0 HG LEU A 47 2.518 -7.031 -28.909 1.00 31.42 H new ATOM 0 HD11 LEU A 47 0.583 -8.118 -29.978 1.00 12.42 H new ATOM 0 HD12 LEU A 47 1.208 -9.076 -28.614 1.00 12.42 H new ATOM 0 HD13 LEU A 47 -0.276 -8.113 -28.419 1.00 12.42 H new ATOM 0 HD21 LEU A 47 0.765 -5.658 -29.963 1.00 74.21 H new ATOM 0 HD22 LEU A 47 -0.086 -5.555 -28.403 1.00 74.21 H new ATOM 0 HD23 LEU A 47 1.524 -4.819 -28.589 1.00 74.21 H new ATOM 749 N PRO A 48 4.660 -6.161 -27.601 1.00 52.24 N ATOM 750 CA PRO A 48 5.698 -5.826 -28.581 1.00 74.10 C ATOM 751 C PRO A 48 5.201 -5.951 -30.017 1.00 60.33 C ATOM 752 O PRO A 48 4.989 -7.056 -30.517 1.00 24.53 O ATOM 753 CB PRO A 48 6.794 -6.857 -28.303 1.00 21.35 C ATOM 754 CG PRO A 48 6.081 -8.012 -27.689 1.00 73.42 C ATOM 755 CD PRO A 48 4.942 -7.425 -26.902 1.00 23.34 C ATOM 0 HA PRO A 48 6.031 -4.793 -28.485 1.00 74.10 H new ATOM 0 HB2 PRO A 48 7.304 -7.149 -29.221 1.00 21.35 H new ATOM 0 HB3 PRO A 48 7.552 -6.457 -27.630 1.00 21.35 H new ATOM 0 HG2 PRO A 48 5.715 -8.696 -28.454 1.00 73.42 H new ATOM 0 HG3 PRO A 48 6.748 -8.584 -27.043 1.00 73.42 H new ATOM 0 HD2 PRO A 48 4.074 -8.084 -26.898 1.00 23.34 H new ATOM 0 HD3 PRO A 48 5.218 -7.256 -25.861 1.00 23.34 H new ATOM 763 N ARG A 49 5.017 -4.812 -30.677 1.00 5.05 N ATOM 764 CA ARG A 49 4.545 -4.795 -32.056 1.00 10.14 C ATOM 765 C ARG A 49 4.901 -3.476 -32.736 1.00 64.41 C ATOM 766 O ARG A 49 5.181 -3.441 -33.934 1.00 42.45 O ATOM 767 CB ARG A 49 3.031 -5.012 -32.101 1.00 43.23 C ATOM 768 CG ARG A 49 2.230 -3.822 -31.599 1.00 41.21 C ATOM 769 CD ARG A 49 1.824 -2.903 -32.740 1.00 55.52 C ATOM 770 NE ARG A 49 0.391 -2.618 -32.730 1.00 60.44 N ATOM 771 CZ ARG A 49 -0.536 -3.503 -33.079 1.00 32.41 C ATOM 772 NH1 ARG A 49 -0.183 -4.722 -33.462 1.00 61.44 N ATOM 773 NH2 ARG A 49 -1.820 -3.170 -33.044 1.00 10.22 N ATOM 0 H ARG A 49 5.188 -3.889 -30.278 1.00 5.05 H new ATOM 0 HA ARG A 49 5.038 -5.605 -32.593 1.00 10.14 H new ATOM 0 HB2 ARG A 49 2.734 -5.232 -33.126 1.00 43.23 H new ATOM 0 HB3 ARG A 49 2.780 -5.887 -31.502 1.00 43.23 H new ATOM 0 HG2 ARG A 49 1.339 -4.175 -31.080 1.00 41.21 H new ATOM 0 HG3 ARG A 49 2.822 -3.264 -30.874 1.00 41.21 H new ATOM 0 HD2 ARG A 49 2.380 -1.968 -32.668 1.00 55.52 H new ATOM 0 HD3 ARG A 49 2.096 -3.363 -33.690 1.00 55.52 H new ATOM 0 HE ARG A 49 0.086 -1.689 -32.439 1.00 60.44 H new ATOM 0 HH11 ARG A 49 0.803 -4.983 -33.489 1.00 61.44 H new ATOM 0 HH12 ARG A 49 -0.897 -5.399 -33.729 1.00 61.44 H new ATOM 0 HH21 ARG A 49 -2.096 -2.233 -32.749 1.00 10.22 H new ATOM 0 HH22 ARG A 49 -2.531 -3.851 -33.312 1.00 10.22 H new ATOM 787 N ASP A 50 4.888 -2.396 -31.964 1.00 3.33 N ATOM 788 CA ASP A 50 5.211 -1.075 -32.491 1.00 55.13 C ATOM 789 C ASP A 50 6.530 -0.568 -31.918 1.00 65.15 C ATOM 790 O ASP A 50 6.856 0.613 -32.034 1.00 50.34 O ATOM 791 CB ASP A 50 4.088 -0.086 -32.171 1.00 22.52 C ATOM 792 CG ASP A 50 3.408 0.442 -33.419 1.00 22.24 C ATOM 793 OD1 ASP A 50 4.124 0.847 -34.358 1.00 41.34 O ATOM 794 OD2 ASP A 50 2.160 0.449 -33.456 1.00 2.03 O ATOM 0 H ASP A 50 4.657 -2.409 -30.971 1.00 3.33 H new ATOM 0 HA ASP A 50 5.314 -1.159 -33.573 1.00 55.13 H new ATOM 0 HB2 ASP A 50 3.348 -0.574 -31.536 1.00 22.52 H new ATOM 0 HB3 ASP A 50 4.495 0.750 -31.601 1.00 22.52 H new ATOM 799 N SER A 51 7.286 -1.470 -31.299 1.00 50.43 N ATOM 800 CA SER A 51 8.568 -1.113 -30.704 1.00 4.12 C ATOM 801 C SER A 51 8.369 -0.254 -29.459 1.00 1.30 C ATOM 802 O SER A 51 8.758 0.915 -29.428 1.00 35.21 O ATOM 803 CB SER A 51 9.436 -0.366 -31.719 1.00 20.50 C ATOM 804 OG SER A 51 10.811 -0.485 -31.399 1.00 65.23 O ATOM 0 H SER A 51 7.032 -2.453 -31.197 1.00 50.43 H new ATOM 0 HA SER A 51 9.073 -2.034 -30.412 1.00 4.12 H new ATOM 0 HB2 SER A 51 9.256 -0.763 -32.718 1.00 20.50 H new ATOM 0 HB3 SER A 51 9.154 0.687 -31.739 1.00 20.50 H new ATOM 0 HG SER A 51 11.345 -0.001 -32.063 1.00 65.23 H new ATOM 810 N LEU A 52 7.761 -0.841 -28.434 1.00 51.41 N ATOM 811 CA LEU A 52 7.509 -0.130 -27.185 1.00 71.31 C ATOM 812 C LEU A 52 6.525 1.016 -27.399 1.00 63.33 C ATOM 813 O LEU A 52 6.919 2.179 -27.485 1.00 42.31 O ATOM 814 CB LEU A 52 8.819 0.408 -26.608 1.00 44.45 C ATOM 815 CG LEU A 52 9.384 -0.348 -25.405 1.00 43.35 C ATOM 816 CD1 LEU A 52 8.369 -0.385 -24.274 1.00 21.22 C ATOM 817 CD2 LEU A 52 9.792 -1.758 -25.806 1.00 21.15 C ATOM 0 H LEU A 52 7.433 -1.807 -28.443 1.00 51.41 H new ATOM 0 HA LEU A 52 7.070 -0.834 -26.478 1.00 71.31 H new ATOM 0 HB2 LEU A 52 9.569 0.405 -27.399 1.00 44.45 H new ATOM 0 HB3 LEU A 52 8.665 1.448 -26.319 1.00 44.45 H new ATOM 0 HG LEU A 52 10.271 0.178 -25.052 1.00 43.35 H new ATOM 0 HD11 LEU A 52 8.788 -0.927 -23.426 1.00 21.22 H new ATOM 0 HD12 LEU A 52 8.126 0.633 -23.970 1.00 21.22 H new ATOM 0 HD13 LEU A 52 7.464 -0.888 -24.614 1.00 21.22 H new ATOM 0 HD21 LEU A 52 10.192 -2.282 -24.938 1.00 21.15 H new ATOM 0 HD22 LEU A 52 8.922 -2.295 -26.185 1.00 21.15 H new ATOM 0 HD23 LEU A 52 10.555 -1.709 -26.583 1.00 21.15 H new ATOM 829 N THR A 53 5.242 0.679 -27.483 1.00 13.31 N ATOM 830 CA THR A 53 4.201 1.679 -27.686 1.00 2.43 C ATOM 831 C THR A 53 3.572 2.094 -26.361 1.00 14.21 C ATOM 832 O THR A 53 2.357 2.281 -26.270 1.00 44.02 O ATOM 833 CB THR A 53 3.097 1.159 -28.625 1.00 60.21 C ATOM 834 OG1 THR A 53 3.566 0.014 -29.345 1.00 63.52 O ATOM 835 CG2 THR A 53 2.667 2.239 -29.606 1.00 12.44 C ATOM 0 H THR A 53 4.899 -0.279 -27.414 1.00 13.31 H new ATOM 0 HA THR A 53 4.679 2.544 -28.145 1.00 2.43 H new ATOM 0 HB THR A 53 2.237 0.879 -28.017 1.00 60.21 H new ATOM 0 HG1 THR A 53 2.849 -0.651 -29.405 1.00 63.52 H new ATOM 0 HG21 THR A 53 1.886 1.848 -30.259 1.00 12.44 H new ATOM 0 HG22 THR A 53 2.283 3.098 -29.056 1.00 12.44 H new ATOM 0 HG23 THR A 53 3.523 2.546 -30.207 1.00 12.44 H new ATOM 843 N LEU A 54 4.403 2.238 -25.335 1.00 65.42 N ATOM 844 CA LEU A 54 3.928 2.632 -24.014 1.00 31.34 C ATOM 845 C LEU A 54 3.096 3.908 -24.092 1.00 72.35 C ATOM 846 O LEU A 54 3.559 4.933 -24.593 1.00 32.42 O ATOM 847 CB LEU A 54 5.110 2.838 -23.065 1.00 41.00 C ATOM 848 CG LEU A 54 5.674 1.576 -22.411 1.00 12.22 C ATOM 849 CD1 LEU A 54 7.170 1.717 -22.180 1.00 44.44 C ATOM 850 CD2 LEU A 54 4.955 1.288 -21.101 1.00 5.35 C ATOM 0 H LEU A 54 5.410 2.088 -25.393 1.00 65.42 H new ATOM 0 HA LEU A 54 3.296 1.831 -23.629 1.00 31.34 H new ATOM 0 HB2 LEU A 54 5.913 3.326 -23.617 1.00 41.00 H new ATOM 0 HB3 LEU A 54 4.802 3.525 -22.277 1.00 41.00 H new ATOM 0 HG LEU A 54 5.509 0.736 -23.086 1.00 12.22 H new ATOM 0 HD11 LEU A 54 7.553 0.809 -21.714 1.00 44.44 H new ATOM 0 HD12 LEU A 54 7.672 1.875 -23.134 1.00 44.44 H new ATOM 0 HD13 LEU A 54 7.358 2.568 -21.526 1.00 44.44 H new ATOM 0 HD21 LEU A 54 5.369 0.387 -20.649 1.00 5.35 H new ATOM 0 HD22 LEU A 54 5.088 2.129 -20.420 1.00 5.35 H new ATOM 0 HD23 LEU A 54 3.892 1.142 -21.294 1.00 5.35 H new ATOM 862 N SER A 55 1.866 3.838 -23.593 1.00 71.12 N ATOM 863 CA SER A 55 0.968 4.987 -23.609 1.00 4.05 C ATOM 864 C SER A 55 0.765 5.536 -22.200 1.00 14.03 C ATOM 865 O SER A 55 0.381 4.806 -21.287 1.00 25.55 O ATOM 866 CB SER A 55 -0.381 4.599 -24.217 1.00 3.10 C ATOM 867 OG SER A 55 -0.753 5.498 -25.247 1.00 41.22 O ATOM 0 H SER A 55 1.469 2.998 -23.173 1.00 71.12 H new ATOM 0 HA SER A 55 1.424 5.765 -24.222 1.00 4.05 H new ATOM 0 HB2 SER A 55 -0.326 3.586 -24.616 1.00 3.10 H new ATOM 0 HB3 SER A 55 -1.146 4.594 -23.440 1.00 3.10 H new ATOM 0 HG SER A 55 -1.618 5.228 -25.621 1.00 41.22 H new ATOM 873 N ALA A 56 1.024 6.829 -22.032 1.00 21.40 N ATOM 874 CA ALA A 56 0.868 7.477 -20.736 1.00 52.20 C ATOM 875 C ALA A 56 -0.242 8.522 -20.775 1.00 73.13 C ATOM 876 O ALA A 56 -0.372 9.268 -21.746 1.00 24.43 O ATOM 877 CB ALA A 56 2.180 8.114 -20.303 1.00 52.41 C ATOM 0 H ALA A 56 1.343 7.448 -22.777 1.00 21.40 H new ATOM 0 HA ALA A 56 0.589 6.715 -20.008 1.00 52.20 H new ATOM 0 HB1 ALA A 56 2.049 8.594 -19.333 1.00 52.41 H new ATOM 0 HB2 ALA A 56 2.950 7.346 -20.226 1.00 52.41 H new ATOM 0 HB3 ALA A 56 2.483 8.859 -21.039 1.00 52.41 H new ATOM 883 N ALA A 57 -1.042 8.569 -19.715 1.00 3.43 N ATOM 884 CA ALA A 57 -2.140 9.524 -19.628 1.00 70.20 C ATOM 885 C ALA A 57 -2.505 9.810 -18.175 1.00 73.04 C ATOM 886 O ALA A 57 -2.412 8.933 -17.318 1.00 4.02 O ATOM 887 CB ALA A 57 -3.352 9.004 -20.386 1.00 72.34 C ATOM 0 H ALA A 57 -0.950 7.957 -18.904 1.00 3.43 H new ATOM 0 HA ALA A 57 -1.813 10.459 -20.084 1.00 70.20 H new ATOM 0 HB1 ALA A 57 -4.165 9.727 -20.313 1.00 72.34 H new ATOM 0 HB2 ALA A 57 -3.090 8.857 -21.434 1.00 72.34 H new ATOM 0 HB3 ALA A 57 -3.671 8.055 -19.955 1.00 72.34 H new ATOM 893 N ASN A 58 -2.921 11.043 -17.907 1.00 11.44 N ATOM 894 CA ASN A 58 -3.299 11.445 -16.557 1.00 13.34 C ATOM 895 C ASN A 58 -4.780 11.807 -16.491 1.00 41.45 C ATOM 896 O ASN A 58 -5.191 12.868 -16.962 1.00 34.03 O ATOM 897 CB ASN A 58 -2.451 12.634 -16.100 1.00 14.13 C ATOM 898 CG ASN A 58 -3.071 13.369 -14.927 1.00 1.22 C ATOM 899 OD1 ASN A 58 -3.557 12.616 -13.947 1.00 43.45 O flip ATOM 900 ND2 ASN A 58 -3.112 14.599 -14.902 1.00 3.33 N flip ATOM 0 H ASN A 58 -3.005 11.781 -18.606 1.00 11.44 H new ATOM 0 HA ASN A 58 -3.120 10.602 -15.890 1.00 13.34 H new ATOM 0 HB2 ASN A 58 -1.458 12.283 -15.821 1.00 14.13 H new ATOM 0 HB3 ASN A 58 -2.322 13.326 -16.932 1.00 14.13 H new ATOM 0 HD21 ASN A 58 -2.726 15.138 -15.677 1.00 3.33 H new ATOM 0 HD22 ASN A 58 -3.532 15.079 -14.106 1.00 3.33 H new ATOM 907 N SER A 59 -5.576 10.919 -15.905 1.00 24.12 N ATOM 908 CA SER A 59 -7.011 11.143 -15.781 1.00 31.15 C ATOM 909 C SER A 59 -7.632 11.451 -17.139 1.00 75.05 C ATOM 910 O SER A 59 -8.602 12.202 -17.234 1.00 12.42 O ATOM 911 CB SER A 59 -7.287 12.292 -14.809 1.00 32.34 C ATOM 912 OG SER A 59 -8.499 12.083 -14.104 1.00 3.43 O ATOM 0 H SER A 59 -5.251 10.037 -15.508 1.00 24.12 H new ATOM 0 HA SER A 59 -7.464 10.231 -15.392 1.00 31.15 H new ATOM 0 HB2 SER A 59 -6.462 12.381 -14.102 1.00 32.34 H new ATOM 0 HB3 SER A 59 -7.339 13.232 -15.358 1.00 32.34 H new ATOM 0 HG SER A 59 -8.652 12.830 -13.488 1.00 3.43 H new ATOM 918 N GLU A 60 -7.066 10.864 -18.189 1.00 45.31 N ATOM 919 CA GLU A 60 -7.563 11.077 -19.543 1.00 71.32 C ATOM 920 C GLU A 60 -8.063 9.769 -20.150 1.00 53.14 C ATOM 921 O GLU A 60 -8.948 9.768 -21.006 1.00 53.22 O ATOM 922 CB GLU A 60 -6.465 11.675 -20.426 1.00 35.42 C ATOM 923 CG GLU A 60 -6.264 13.167 -20.220 1.00 75.42 C ATOM 924 CD GLU A 60 -5.253 13.757 -21.183 1.00 41.12 C ATOM 925 OE1 GLU A 60 -4.472 14.634 -20.758 1.00 64.10 O ATOM 926 OE2 GLU A 60 -5.243 13.343 -22.361 1.00 45.32 O ATOM 0 H GLU A 60 -6.263 10.238 -18.128 1.00 45.31 H new ATOM 0 HA GLU A 60 -8.397 11.776 -19.491 1.00 71.32 H new ATOM 0 HB2 GLU A 60 -5.526 11.159 -20.224 1.00 35.42 H new ATOM 0 HB3 GLU A 60 -6.711 11.491 -21.472 1.00 35.42 H new ATOM 0 HG2 GLU A 60 -7.219 13.679 -20.342 1.00 75.42 H new ATOM 0 HG3 GLU A 60 -5.934 13.348 -19.197 1.00 75.42 H new ATOM 933 N ASP A 61 -7.490 8.658 -19.702 1.00 2.03 N ATOM 934 CA ASP A 61 -7.877 7.343 -20.200 1.00 3.14 C ATOM 935 C ASP A 61 -8.890 6.686 -19.268 1.00 22.34 C ATOM 936 O ASP A 61 -8.548 6.261 -18.165 1.00 25.23 O ATOM 937 CB ASP A 61 -6.646 6.448 -20.348 1.00 24.21 C ATOM 938 CG ASP A 61 -6.947 5.171 -21.107 1.00 64.50 C ATOM 939 OD1 ASP A 61 -7.050 4.106 -20.461 1.00 52.42 O ATOM 940 OD2 ASP A 61 -7.080 5.235 -22.347 1.00 4.02 O ATOM 0 H ASP A 61 -6.755 8.641 -18.995 1.00 2.03 H new ATOM 0 HA ASP A 61 -8.341 7.474 -21.178 1.00 3.14 H new ATOM 0 HB2 ASP A 61 -5.860 6.998 -20.866 1.00 24.21 H new ATOM 0 HB3 ASP A 61 -6.261 6.198 -19.359 1.00 24.21 H new ATOM 945 N GLU A 62 -10.138 6.607 -19.719 1.00 43.10 N ATOM 946 CA GLU A 62 -11.200 6.003 -18.924 1.00 14.12 C ATOM 947 C GLU A 62 -12.347 5.535 -19.815 1.00 35.13 C ATOM 948 O GLU A 62 -13.484 5.401 -19.363 1.00 21.11 O ATOM 949 CB GLU A 62 -11.720 7.000 -17.886 1.00 33.11 C ATOM 950 CG GLU A 62 -11.823 6.421 -16.485 1.00 1.54 C ATOM 951 CD GLU A 62 -13.112 6.809 -15.787 1.00 32.34 C ATOM 952 OE1 GLU A 62 -13.753 5.919 -15.189 1.00 72.54 O ATOM 953 OE2 GLU A 62 -13.480 8.001 -15.838 1.00 33.34 O ATOM 0 H GLU A 62 -10.438 6.954 -20.630 1.00 43.10 H new ATOM 0 HA GLU A 62 -10.786 5.136 -18.409 1.00 14.12 H new ATOM 0 HB2 GLU A 62 -11.059 7.867 -17.864 1.00 33.11 H new ATOM 0 HB3 GLU A 62 -12.703 7.356 -18.196 1.00 33.11 H new ATOM 0 HG2 GLU A 62 -11.756 5.334 -16.539 1.00 1.54 H new ATOM 0 HG3 GLU A 62 -10.975 6.763 -15.891 1.00 1.54 H new ATOM 960 N GLY A 63 -12.040 5.288 -21.085 1.00 12.14 N ATOM 961 CA GLY A 63 -13.055 4.838 -22.019 1.00 50.55 C ATOM 962 C GLY A 63 -13.527 3.428 -21.729 1.00 32.25 C ATOM 963 O GLY A 63 -14.402 3.221 -20.888 1.00 21.10 O ATOM 0 H GLY A 63 -11.107 5.392 -21.483 1.00 12.14 H new ATOM 0 HA2 GLY A 63 -13.906 5.518 -21.981 1.00 50.55 H new ATOM 0 HA3 GLY A 63 -12.657 4.883 -23.033 1.00 50.55 H new ATOM 967 N GLN A 64 -12.948 2.456 -22.426 1.00 71.12 N ATOM 968 CA GLN A 64 -13.317 1.058 -22.239 1.00 73.23 C ATOM 969 C GLN A 64 -12.116 0.233 -21.788 1.00 14.34 C ATOM 970 O GLN A 64 -11.073 0.229 -22.441 1.00 40.44 O ATOM 971 CB GLN A 64 -13.888 0.481 -23.536 1.00 50.32 C ATOM 972 CG GLN A 64 -15.407 0.501 -23.594 1.00 60.01 C ATOM 973 CD GLN A 64 -15.949 1.735 -24.288 1.00 4.31 C ATOM 974 OE1 GLN A 64 -15.261 2.359 -25.097 1.00 70.20 O ATOM 975 NE2 GLN A 64 -17.188 2.095 -23.974 1.00 42.14 N ATOM 0 H GLN A 64 -12.222 2.611 -23.125 1.00 71.12 H new ATOM 0 HA GLN A 64 -14.080 1.011 -21.462 1.00 73.23 H new ATOM 0 HB2 GLN A 64 -13.493 1.046 -24.380 1.00 50.32 H new ATOM 0 HB3 GLN A 64 -13.542 -0.546 -23.650 1.00 50.32 H new ATOM 0 HG2 GLN A 64 -15.758 -0.389 -24.117 1.00 60.01 H new ATOM 0 HG3 GLN A 64 -15.806 0.454 -22.581 1.00 60.01 H new ATOM 0 HE21 GLN A 64 -17.722 1.549 -23.298 1.00 42.14 H new ATOM 0 HE22 GLN A 64 -17.606 2.918 -24.409 1.00 42.14 H new ATOM 984 N ILE A 65 -12.271 -0.463 -20.667 1.00 31.14 N ATOM 985 CA ILE A 65 -11.199 -1.292 -20.129 1.00 13.44 C ATOM 986 C ILE A 65 -11.754 -2.555 -19.479 1.00 53.30 C ATOM 987 O ILE A 65 -12.830 -2.536 -18.881 1.00 75.25 O ATOM 988 CB ILE A 65 -10.359 -0.522 -19.093 1.00 24.02 C ATOM 989 CG1 ILE A 65 -9.226 -1.405 -18.565 1.00 35.43 C ATOM 990 CG2 ILE A 65 -11.239 -0.040 -17.949 1.00 43.44 C ATOM 991 CD1 ILE A 65 -7.919 -0.667 -18.383 1.00 63.31 C ATOM 0 H ILE A 65 -13.128 -0.470 -20.114 1.00 31.14 H new ATOM 0 HA ILE A 65 -10.562 -1.569 -20.969 1.00 13.44 H new ATOM 0 HB ILE A 65 -9.920 0.349 -19.579 1.00 24.02 H new ATOM 0 HG12 ILE A 65 -9.527 -1.835 -17.610 1.00 35.43 H new ATOM 0 HG13 ILE A 65 -9.072 -2.235 -19.254 1.00 35.43 H new ATOM 0 HG21 ILE A 65 -10.630 0.502 -17.225 1.00 43.44 H new ATOM 0 HG22 ILE A 65 -12.014 0.620 -18.339 1.00 43.44 H new ATOM 0 HG23 ILE A 65 -11.704 -0.897 -17.462 1.00 43.44 H new ATOM 0 HD11 ILE A 65 -7.162 -1.355 -18.006 1.00 63.31 H new ATOM 0 HD12 ILE A 65 -7.595 -0.260 -19.341 1.00 63.31 H new ATOM 0 HD13 ILE A 65 -8.057 0.146 -17.671 1.00 63.31 H new ATOM 1003 N ARG A 66 -11.012 -3.650 -19.599 1.00 24.33 N ATOM 1004 CA ARG A 66 -11.429 -4.923 -19.023 1.00 1.14 C ATOM 1005 C ARG A 66 -10.273 -5.590 -18.282 1.00 51.34 C ATOM 1006 O ARG A 66 -9.149 -5.642 -18.783 1.00 55.41 O ATOM 1007 CB ARG A 66 -11.953 -5.855 -20.117 1.00 13.24 C ATOM 1008 CG ARG A 66 -13.215 -6.606 -19.724 1.00 12.51 C ATOM 1009 CD ARG A 66 -14.466 -5.844 -20.133 1.00 74.30 C ATOM 1010 NE ARG A 66 -15.614 -6.730 -20.306 1.00 34.53 N ATOM 1011 CZ ARG A 66 -16.754 -6.354 -20.874 1.00 73.15 C ATOM 1012 NH1 ARG A 66 -16.898 -5.115 -21.323 1.00 44.14 N ATOM 1013 NH2 ARG A 66 -17.754 -7.219 -20.996 1.00 2.55 N ATOM 0 H ARG A 66 -10.119 -3.682 -20.090 1.00 24.33 H new ATOM 0 HA ARG A 66 -12.229 -4.725 -18.310 1.00 1.14 H new ATOM 0 HB2 ARG A 66 -12.153 -5.271 -21.015 1.00 13.24 H new ATOM 0 HB3 ARG A 66 -11.176 -6.576 -20.372 1.00 13.24 H new ATOM 0 HG2 ARG A 66 -13.216 -7.589 -20.195 1.00 12.51 H new ATOM 0 HG3 ARG A 66 -13.222 -6.768 -18.646 1.00 12.51 H new ATOM 0 HD2 ARG A 66 -14.697 -5.094 -19.376 1.00 74.30 H new ATOM 0 HD3 ARG A 66 -14.277 -5.310 -21.064 1.00 74.30 H new ATOM 0 HE ARG A 66 -15.536 -7.691 -19.972 1.00 34.53 H new ATOM 0 HH11 ARG A 66 -16.132 -4.448 -21.233 1.00 44.14 H new ATOM 0 HH12 ARG A 66 -17.775 -4.829 -21.759 1.00 44.14 H new ATOM 0 HH21 ARG A 66 -17.647 -8.174 -20.653 1.00 2.55 H new ATOM 0 HH22 ARG A 66 -18.629 -6.929 -21.432 1.00 2.55 H new ATOM 1027 N TYR A 67 -10.557 -6.098 -17.088 1.00 41.34 N ATOM 1028 CA TYR A 67 -9.541 -6.759 -16.278 1.00 2.52 C ATOM 1029 C TYR A 67 -9.200 -8.133 -16.845 1.00 71.14 C ATOM 1030 O TYR A 67 -10.087 -8.945 -17.112 1.00 44.32 O ATOM 1031 CB TYR A 67 -10.022 -6.896 -14.832 1.00 64.23 C ATOM 1032 CG TYR A 67 -10.422 -5.583 -14.199 1.00 44.55 C ATOM 1033 CD1 TYR A 67 -11.745 -5.158 -14.210 1.00 63.25 C ATOM 1034 CD2 TYR A 67 -9.477 -4.765 -13.592 1.00 23.23 C ATOM 1035 CE1 TYR A 67 -12.115 -3.958 -13.634 1.00 61.42 C ATOM 1036 CE2 TYR A 67 -9.838 -3.565 -13.012 1.00 0.34 C ATOM 1037 CZ TYR A 67 -11.158 -3.166 -13.036 1.00 10.54 C ATOM 1038 OH TYR A 67 -11.522 -1.970 -12.460 1.00 43.42 O ATOM 0 H TYR A 67 -11.482 -6.065 -16.660 1.00 41.34 H new ATOM 0 HA TYR A 67 -8.641 -6.145 -16.298 1.00 2.52 H new ATOM 0 HB2 TYR A 67 -10.873 -7.577 -14.804 1.00 64.23 H new ATOM 0 HB3 TYR A 67 -9.230 -7.350 -14.236 1.00 64.23 H new ATOM 0 HD1 TYR A 67 -12.497 -5.777 -14.677 1.00 63.25 H new ATOM 0 HD2 TYR A 67 -8.442 -5.073 -13.574 1.00 23.23 H new ATOM 0 HE1 TYR A 67 -13.148 -3.642 -13.652 1.00 61.42 H new ATOM 0 HE2 TYR A 67 -9.091 -2.942 -12.542 1.00 0.34 H new ATOM 0 HH TYR A 67 -10.730 -1.535 -12.082 1.00 43.42 H new ATOM 1048 N PHE A 68 -7.908 -8.387 -17.027 1.00 35.30 N ATOM 1049 CA PHE A 68 -7.448 -9.663 -17.563 1.00 74.11 C ATOM 1050 C PHE A 68 -6.657 -10.440 -16.515 1.00 11.11 C ATOM 1051 O PHE A 68 -5.915 -9.857 -15.723 1.00 20.31 O ATOM 1052 CB PHE A 68 -6.585 -9.437 -18.806 1.00 11.42 C ATOM 1053 CG PHE A 68 -6.879 -10.396 -19.923 1.00 75.13 C ATOM 1054 CD1 PHE A 68 -8.146 -10.463 -20.481 1.00 30.10 C ATOM 1055 CD2 PHE A 68 -5.890 -11.232 -20.416 1.00 3.54 C ATOM 1056 CE1 PHE A 68 -8.420 -11.345 -21.510 1.00 13.34 C ATOM 1057 CE2 PHE A 68 -6.158 -12.115 -21.444 1.00 41.32 C ATOM 1058 CZ PHE A 68 -7.425 -12.172 -21.991 1.00 60.31 C ATOM 0 H PHE A 68 -7.161 -7.726 -16.811 1.00 35.30 H new ATOM 0 HA PHE A 68 -8.324 -10.249 -17.839 1.00 74.11 H new ATOM 0 HB2 PHE A 68 -6.737 -8.418 -19.163 1.00 11.42 H new ATOM 0 HB3 PHE A 68 -5.534 -9.525 -18.530 1.00 11.42 H new ATOM 0 HD1 PHE A 68 -8.928 -9.819 -20.108 1.00 30.10 H new ATOM 0 HD2 PHE A 68 -4.898 -11.193 -19.991 1.00 3.54 H new ATOM 0 HE1 PHE A 68 -9.411 -11.387 -21.937 1.00 13.34 H new ATOM 0 HE2 PHE A 68 -5.378 -12.760 -21.820 1.00 41.32 H new ATOM 0 HZ PHE A 68 -7.637 -12.863 -22.794 1.00 60.31 H new ATOM 1068 N LEU A 69 -6.821 -11.758 -16.516 1.00 32.14 N ATOM 1069 CA LEU A 69 -6.123 -12.617 -15.565 1.00 12.52 C ATOM 1070 C LEU A 69 -6.470 -14.083 -15.799 1.00 32.31 C ATOM 1071 O LEU A 69 -5.609 -14.910 -16.099 1.00 23.33 O ATOM 1072 CB LEU A 69 -6.480 -12.219 -14.131 1.00 43.24 C ATOM 1073 CG LEU A 69 -5.369 -11.543 -13.327 1.00 11.15 C ATOM 1074 CD1 LEU A 69 -5.960 -10.602 -12.288 1.00 43.42 C ATOM 1075 CD2 LEU A 69 -4.483 -12.585 -12.661 1.00 64.40 C ATOM 0 H LEU A 69 -7.431 -12.256 -17.165 1.00 32.14 H new ATOM 0 HA LEU A 69 -5.051 -12.488 -15.715 1.00 12.52 H new ATOM 0 HB2 LEU A 69 -7.338 -11.547 -14.164 1.00 43.24 H new ATOM 0 HB3 LEU A 69 -6.797 -13.114 -13.595 1.00 43.24 H new ATOM 0 HG LEU A 69 -4.756 -10.958 -14.012 1.00 11.15 H new ATOM 0 HD11 LEU A 69 -5.155 -10.130 -11.725 1.00 43.42 H new ATOM 0 HD12 LEU A 69 -6.552 -9.835 -12.787 1.00 43.42 H new ATOM 0 HD13 LEU A 69 -6.597 -11.166 -11.606 1.00 43.42 H new ATOM 0 HD21 LEU A 69 -3.698 -12.086 -12.093 1.00 64.40 H new ATOM 0 HD22 LEU A 69 -5.084 -13.197 -11.988 1.00 64.40 H new ATOM 0 HD23 LEU A 69 -4.032 -13.220 -13.424 1.00 64.40 H new ATOM 1087 N PRO A 70 -7.762 -14.415 -15.661 1.00 75.24 N ATOM 1088 CA PRO A 70 -8.254 -15.783 -15.856 1.00 43.42 C ATOM 1089 C PRO A 70 -8.196 -16.217 -17.317 1.00 13.51 C ATOM 1090 O PRO A 70 -8.354 -17.397 -17.630 1.00 44.34 O ATOM 1091 CB PRO A 70 -9.705 -15.710 -15.377 1.00 15.43 C ATOM 1092 CG PRO A 70 -10.092 -14.282 -15.555 1.00 1.15 C ATOM 1093 CD PRO A 70 -8.844 -13.481 -15.306 1.00 22.03 C ATOM 0 HA PRO A 70 -7.650 -16.514 -15.318 1.00 43.42 H new ATOM 0 HB2 PRO A 70 -10.348 -16.370 -15.960 1.00 15.43 H new ATOM 0 HB3 PRO A 70 -9.794 -16.017 -14.335 1.00 15.43 H new ATOM 0 HG2 PRO A 70 -10.476 -14.104 -16.559 1.00 1.15 H new ATOM 0 HG3 PRO A 70 -10.881 -14.002 -14.858 1.00 1.15 H new ATOM 0 HD2 PRO A 70 -8.815 -12.581 -15.920 1.00 22.03 H new ATOM 0 HD3 PRO A 70 -8.773 -13.160 -14.267 1.00 22.03 H new ATOM 1101 N ASP A 71 -7.970 -15.256 -18.206 1.00 41.11 N ATOM 1102 CA ASP A 71 -7.890 -15.539 -19.634 1.00 72.44 C ATOM 1103 C ASP A 71 -9.105 -16.337 -20.099 1.00 11.52 C ATOM 1104 O ASP A 71 -9.003 -17.180 -20.989 1.00 63.43 O ATOM 1105 CB ASP A 71 -6.607 -16.309 -19.952 1.00 75.43 C ATOM 1106 CG ASP A 71 -5.391 -15.715 -19.270 1.00 32.45 C ATOM 1107 OD1 ASP A 71 -4.471 -16.485 -18.922 1.00 3.33 O ATOM 1108 OD2 ASP A 71 -5.359 -14.481 -19.084 1.00 34.13 O ATOM 0 H ASP A 71 -7.839 -14.274 -17.963 1.00 41.11 H new ATOM 0 HA ASP A 71 -7.876 -14.588 -20.167 1.00 72.44 H new ATOM 0 HB2 ASP A 71 -6.723 -17.347 -19.641 1.00 75.43 H new ATOM 0 HB3 ASP A 71 -6.448 -16.315 -21.030 1.00 75.43 H new ATOM 1113 N ARG A 72 -10.254 -16.064 -19.489 1.00 1.41 N ATOM 1114 CA ARG A 72 -11.488 -16.757 -19.838 1.00 41.13 C ATOM 1115 C ARG A 72 -12.624 -15.764 -20.065 1.00 10.22 C ATOM 1116 O ARG A 72 -13.799 -16.108 -19.932 1.00 64.25 O ATOM 1117 CB ARG A 72 -11.872 -17.745 -18.736 1.00 34.23 C ATOM 1118 CG ARG A 72 -12.415 -17.078 -17.482 1.00 63.41 C ATOM 1119 CD ARG A 72 -12.330 -18.004 -16.278 1.00 54.51 C ATOM 1120 NE ARG A 72 -13.521 -18.839 -16.145 1.00 61.04 N ATOM 1121 CZ ARG A 72 -13.666 -19.768 -15.207 1.00 65.55 C ATOM 1122 NH1 ARG A 72 -12.699 -19.980 -14.324 1.00 54.23 N ATOM 1123 NH2 ARG A 72 -14.779 -20.489 -15.151 1.00 43.53 N ATOM 0 H ARG A 72 -10.356 -15.368 -18.751 1.00 1.41 H new ATOM 0 HA ARG A 72 -11.318 -17.305 -20.765 1.00 41.13 H new ATOM 0 HB2 ARG A 72 -12.621 -18.435 -19.124 1.00 34.23 H new ATOM 0 HB3 ARG A 72 -10.997 -18.339 -18.472 1.00 34.23 H new ATOM 0 HG2 ARG A 72 -11.853 -16.166 -17.281 1.00 63.41 H new ATOM 0 HG3 ARG A 72 -13.452 -16.785 -17.644 1.00 63.41 H new ATOM 0 HD2 ARG A 72 -11.450 -18.640 -16.371 1.00 54.51 H new ATOM 0 HD3 ARG A 72 -12.200 -17.411 -15.373 1.00 54.51 H new ATOM 0 HE ARG A 72 -14.283 -18.701 -16.809 1.00 61.04 H new ATOM 0 HH11 ARG A 72 -11.842 -19.429 -14.364 1.00 54.23 H new ATOM 0 HH12 ARG A 72 -12.813 -20.694 -13.605 1.00 54.23 H new ATOM 0 HH21 ARG A 72 -15.524 -20.330 -15.829 1.00 43.53 H new ATOM 0 HH22 ARG A 72 -14.889 -21.202 -14.430 1.00 43.53 H new ATOM 1137 N ASP A 73 -12.266 -14.531 -20.406 1.00 42.01 N ATOM 1138 CA ASP A 73 -13.255 -13.488 -20.652 1.00 3.34 C ATOM 1139 C ASP A 73 -13.574 -13.381 -22.139 1.00 73.24 C ATOM 1140 O ASP A 73 -13.835 -12.293 -22.651 1.00 40.01 O ATOM 1141 CB ASP A 73 -12.749 -12.142 -20.128 1.00 62.54 C ATOM 1142 CG ASP A 73 -13.842 -11.093 -20.078 1.00 3.03 C ATOM 1143 OD1 ASP A 73 -13.588 -9.950 -20.513 1.00 21.01 O ATOM 1144 OD2 ASP A 73 -14.951 -11.415 -19.604 1.00 10.34 O ATOM 0 H ASP A 73 -11.298 -14.229 -20.518 1.00 42.01 H new ATOM 0 HA ASP A 73 -14.169 -13.756 -20.121 1.00 3.34 H new ATOM 0 HB2 ASP A 73 -12.333 -12.277 -19.130 1.00 62.54 H new ATOM 0 HB3 ASP A 73 -11.939 -11.788 -20.766 1.00 62.54 H new ATOM 1149 N GLU A 74 -13.551 -14.518 -22.828 1.00 30.55 N ATOM 1150 CA GLU A 74 -13.837 -14.552 -24.257 1.00 44.41 C ATOM 1151 C GLU A 74 -12.853 -13.677 -25.029 1.00 1.42 C ATOM 1152 O GLU A 74 -13.242 -12.926 -25.922 1.00 41.32 O ATOM 1153 CB GLU A 74 -15.269 -14.085 -24.524 1.00 72.45 C ATOM 1154 CG GLU A 74 -16.300 -14.732 -23.614 1.00 44.00 C ATOM 1155 CD GLU A 74 -17.724 -14.436 -24.042 1.00 61.23 C ATOM 1156 OE1 GLU A 74 -18.264 -13.392 -23.621 1.00 54.15 O ATOM 1157 OE2 GLU A 74 -18.298 -15.248 -24.797 1.00 63.34 O ATOM 0 H GLU A 74 -13.337 -15.428 -22.419 1.00 30.55 H new ATOM 0 HA GLU A 74 -13.728 -15.581 -24.599 1.00 44.41 H new ATOM 0 HB2 GLU A 74 -15.318 -13.003 -24.403 1.00 72.45 H new ATOM 0 HB3 GLU A 74 -15.525 -14.301 -25.561 1.00 72.45 H new ATOM 0 HG2 GLU A 74 -16.144 -15.811 -23.604 1.00 44.00 H new ATOM 0 HG3 GLU A 74 -16.151 -14.379 -22.594 1.00 44.00 H new ATOM 1164 N GLY A 75 -11.575 -13.780 -24.676 1.00 11.53 N ATOM 1165 CA GLY A 75 -10.555 -12.992 -25.344 1.00 32.24 C ATOM 1166 C GLY A 75 -9.298 -13.791 -25.625 1.00 1.33 C ATOM 1167 O GLY A 75 -8.636 -13.582 -26.641 1.00 53.31 O ATOM 0 H GLY A 75 -11.228 -14.395 -23.940 1.00 11.53 H new ATOM 0 HA2 GLY A 75 -10.954 -12.606 -26.282 1.00 32.24 H new ATOM 0 HA3 GLY A 75 -10.304 -12.130 -24.726 1.00 32.24 H new ATOM 1171 N MET A 76 -8.966 -14.707 -24.721 1.00 73.11 N ATOM 1172 CA MET A 76 -7.779 -15.539 -24.877 1.00 60.33 C ATOM 1173 C MET A 76 -7.748 -16.189 -26.257 1.00 34.31 C ATOM 1174 O MET A 76 -6.679 -16.461 -26.802 1.00 3.44 O ATOM 1175 CB MET A 76 -7.739 -16.617 -23.792 1.00 2.21 C ATOM 1176 CG MET A 76 -8.704 -17.765 -24.039 1.00 54.51 C ATOM 1177 SD MET A 76 -7.922 -19.166 -24.861 1.00 50.54 S ATOM 1178 CE MET A 76 -7.213 -20.028 -23.461 1.00 13.35 C ATOM 0 H MET A 76 -9.502 -14.892 -23.873 1.00 73.11 H new ATOM 0 HA MET A 76 -6.902 -14.899 -24.776 1.00 60.33 H new ATOM 0 HB2 MET A 76 -6.726 -17.013 -23.723 1.00 2.21 H new ATOM 0 HB3 MET A 76 -7.969 -16.161 -22.829 1.00 2.21 H new ATOM 0 HG2 MET A 76 -9.122 -18.094 -23.088 1.00 54.51 H new ATOM 0 HG3 MET A 76 -9.536 -17.410 -24.647 1.00 54.51 H new ATOM 0 HE1 MET A 76 -6.693 -20.921 -23.809 1.00 13.35 H new ATOM 0 HE2 MET A 76 -6.507 -19.373 -22.950 1.00 13.35 H new ATOM 0 HE3 MET A 76 -8.006 -20.315 -22.771 1.00 13.35 H new ATOM 1188 N MET A 77 -8.928 -16.437 -26.816 1.00 14.31 N ATOM 1189 CA MET A 77 -9.035 -17.054 -28.133 1.00 34.34 C ATOM 1190 C MET A 77 -8.440 -16.150 -29.207 1.00 52.02 C ATOM 1191 O MET A 77 -7.781 -16.622 -30.132 1.00 62.44 O ATOM 1192 CB MET A 77 -10.499 -17.359 -28.459 1.00 64.12 C ATOM 1193 CG MET A 77 -11.402 -16.138 -28.401 1.00 5.33 C ATOM 1194 SD MET A 77 -13.138 -16.544 -28.669 1.00 3.14 S ATOM 1195 CE MET A 77 -13.901 -14.941 -28.433 1.00 2.34 C ATOM 0 H MET A 77 -9.823 -16.220 -26.378 1.00 14.31 H new ATOM 0 HA MET A 77 -8.472 -17.987 -28.117 1.00 34.34 H new ATOM 0 HB2 MET A 77 -10.557 -17.797 -29.456 1.00 64.12 H new ATOM 0 HB3 MET A 77 -10.870 -18.108 -27.760 1.00 64.12 H new ATOM 0 HG2 MET A 77 -11.292 -15.655 -27.430 1.00 5.33 H new ATOM 0 HG3 MET A 77 -11.081 -15.418 -29.153 1.00 5.33 H new ATOM 0 HE1 MET A 77 -14.662 -15.011 -27.656 1.00 2.34 H new ATOM 0 HE2 MET A 77 -13.143 -14.217 -28.134 1.00 2.34 H new ATOM 0 HE3 MET A 77 -14.364 -14.617 -29.365 1.00 2.34 H new ATOM 1205 N GLU A 78 -8.678 -14.848 -29.078 1.00 31.53 N ATOM 1206 CA GLU A 78 -8.166 -13.880 -30.039 1.00 44.54 C ATOM 1207 C GLU A 78 -6.792 -13.368 -29.617 1.00 5.24 C ATOM 1208 O GLU A 78 -6.028 -12.860 -30.437 1.00 52.11 O ATOM 1209 CB GLU A 78 -9.137 -12.706 -30.182 1.00 33.13 C ATOM 1210 CG GLU A 78 -8.902 -11.869 -31.428 1.00 34.11 C ATOM 1211 CD GLU A 78 -10.058 -11.944 -32.407 1.00 43.22 C ATOM 1212 OE1 GLU A 78 -10.894 -11.016 -32.409 1.00 32.43 O ATOM 1213 OE2 GLU A 78 -10.126 -12.929 -33.171 1.00 43.04 O ATOM 0 H GLU A 78 -9.222 -14.440 -28.317 1.00 31.53 H new ATOM 0 HA GLU A 78 -8.068 -14.381 -31.002 1.00 44.54 H new ATOM 0 HB2 GLU A 78 -10.157 -13.089 -30.199 1.00 33.13 H new ATOM 0 HB3 GLU A 78 -9.052 -12.066 -29.304 1.00 33.13 H new ATOM 0 HG2 GLU A 78 -8.742 -10.830 -31.139 1.00 34.11 H new ATOM 0 HG3 GLU A 78 -7.990 -12.206 -31.921 1.00 34.11 H new ATOM 1220 N GLU A 79 -6.485 -13.506 -28.330 1.00 52.43 N ATOM 1221 CA GLU A 79 -5.204 -13.056 -27.798 1.00 51.04 C ATOM 1222 C GLU A 79 -4.282 -14.241 -27.527 1.00 44.11 C ATOM 1223 O GLU A 79 -3.331 -14.137 -26.753 1.00 32.21 O ATOM 1224 CB GLU A 79 -5.414 -12.254 -26.512 1.00 41.03 C ATOM 1225 CG GLU A 79 -5.057 -10.783 -26.647 1.00 63.31 C ATOM 1226 CD GLU A 79 -6.103 -9.997 -27.413 1.00 1.45 C ATOM 1227 OE1 GLU A 79 -6.289 -8.801 -27.104 1.00 3.25 O ATOM 1228 OE2 GLU A 79 -6.736 -10.576 -28.320 1.00 24.03 O ATOM 0 H GLU A 79 -7.106 -13.925 -27.638 1.00 52.43 H new ATOM 0 HA GLU A 79 -4.734 -12.415 -28.544 1.00 51.04 H new ATOM 0 HB2 GLU A 79 -6.457 -12.340 -26.207 1.00 41.03 H new ATOM 0 HB3 GLU A 79 -4.812 -12.694 -25.717 1.00 41.03 H new ATOM 0 HG2 GLU A 79 -4.937 -10.349 -25.654 1.00 63.31 H new ATOM 0 HG3 GLU A 79 -4.096 -10.691 -27.153 1.00 63.31 H new ATOM 1235 N GLY A 80 -4.570 -15.368 -28.171 1.00 14.01 N ATOM 1236 CA GLY A 80 -3.759 -16.557 -27.986 1.00 1.22 C ATOM 1237 C GLY A 80 -3.955 -17.571 -29.095 1.00 34.32 C ATOM 1238 O GLY A 80 -3.004 -18.222 -29.528 1.00 1.32 O ATOM 0 H GLY A 80 -5.351 -15.479 -28.818 1.00 14.01 H new ATOM 0 HA2 GLY A 80 -2.708 -16.272 -27.940 1.00 1.22 H new ATOM 0 HA3 GLY A 80 -4.007 -17.017 -27.029 1.00 1.22 H new ATOM 1242 N LYS A 81 -5.194 -17.709 -29.556 1.00 30.24 N ATOM 1243 CA LYS A 81 -5.514 -18.652 -30.621 1.00 30.12 C ATOM 1244 C LYS A 81 -5.590 -17.944 -31.970 1.00 14.14 C ATOM 1245 O LYS A 81 -6.168 -18.465 -32.924 1.00 71.43 O ATOM 1246 CB LYS A 81 -6.841 -19.355 -30.326 1.00 71.00 C ATOM 1247 CG LYS A 81 -6.786 -20.862 -30.511 1.00 44.43 C ATOM 1248 CD LYS A 81 -7.543 -21.299 -31.754 1.00 1.11 C ATOM 1249 CE LYS A 81 -6.608 -21.490 -32.938 1.00 64.11 C ATOM 1250 NZ LYS A 81 -7.230 -21.041 -34.214 1.00 61.44 N ATOM 0 H LYS A 81 -5.993 -17.179 -29.208 1.00 30.24 H new ATOM 0 HA LYS A 81 -4.718 -19.395 -30.665 1.00 30.12 H new ATOM 0 HB2 LYS A 81 -7.140 -19.134 -29.301 1.00 71.00 H new ATOM 0 HB3 LYS A 81 -7.612 -18.945 -30.978 1.00 71.00 H new ATOM 0 HG2 LYS A 81 -5.747 -21.183 -30.585 1.00 44.43 H new ATOM 0 HG3 LYS A 81 -7.209 -21.353 -29.635 1.00 44.43 H new ATOM 0 HD2 LYS A 81 -8.070 -22.231 -31.551 1.00 1.11 H new ATOM 0 HD3 LYS A 81 -8.298 -20.553 -32.002 1.00 1.11 H new ATOM 0 HE2 LYS A 81 -5.687 -20.933 -32.767 1.00 64.11 H new ATOM 0 HE3 LYS A 81 -6.334 -22.542 -33.018 1.00 64.11 H new ATOM 0 HZ1 LYS A 81 -6.734 -21.480 -35.016 1.00 61.44 H new ATOM 0 HZ2 LYS A 81 -8.231 -21.322 -34.230 1.00 61.44 H new ATOM 0 HZ3 LYS A 81 -7.160 -20.006 -34.289 1.00 61.44 H new ATOM 1264 N LEU A 82 -5.003 -16.754 -32.042 1.00 72.50 N ATOM 1265 CA LEU A 82 -5.003 -15.975 -33.275 1.00 73.02 C ATOM 1266 C LEU A 82 -3.596 -15.499 -33.618 1.00 44.43 C ATOM 1267 O LEU A 82 -3.055 -15.836 -34.671 1.00 64.34 O ATOM 1268 CB LEU A 82 -5.942 -14.775 -33.143 1.00 13.31 C ATOM 1269 CG LEU A 82 -7.282 -14.887 -33.872 1.00 1.13 C ATOM 1270 CD1 LEU A 82 -7.074 -14.860 -35.378 1.00 10.20 C ATOM 1271 CD2 LEU A 82 -8.011 -16.156 -33.455 1.00 11.22 C ATOM 0 H LEU A 82 -4.521 -16.308 -31.261 1.00 72.50 H new ATOM 0 HA LEU A 82 -5.356 -16.617 -34.082 1.00 73.02 H new ATOM 0 HB2 LEU A 82 -6.140 -14.609 -32.084 1.00 13.31 H new ATOM 0 HB3 LEU A 82 -5.423 -13.891 -33.513 1.00 13.31 H new ATOM 0 HG LEU A 82 -7.897 -14.031 -33.596 1.00 1.13 H new ATOM 0 HD11 LEU A 82 -8.038 -14.941 -35.880 1.00 10.20 H new ATOM 0 HD12 LEU A 82 -6.594 -13.923 -35.662 1.00 10.20 H new ATOM 0 HD13 LEU A 82 -6.440 -15.696 -35.673 1.00 10.20 H new ATOM 0 HD21 LEU A 82 -8.962 -16.219 -33.983 1.00 11.22 H new ATOM 0 HD22 LEU A 82 -7.400 -17.024 -33.702 1.00 11.22 H new ATOM 0 HD23 LEU A 82 -8.193 -16.134 -32.381 1.00 11.22 H new ATOM 1283 N ASP A 83 -3.007 -14.714 -32.722 1.00 33.30 N ATOM 1284 CA ASP A 83 -1.661 -14.194 -32.928 1.00 4.10 C ATOM 1285 C ASP A 83 -0.707 -14.715 -31.858 1.00 21.53 C ATOM 1286 O ASP A 83 -0.956 -14.562 -30.662 1.00 71.34 O ATOM 1287 CB ASP A 83 -1.674 -12.665 -32.915 1.00 53.50 C ATOM 1288 CG ASP A 83 -2.940 -12.092 -33.522 1.00 40.30 C ATOM 1289 OD1 ASP A 83 -2.907 -11.708 -34.710 1.00 54.41 O ATOM 1290 OD2 ASP A 83 -3.963 -12.028 -32.809 1.00 72.34 O ATOM 0 H ASP A 83 -3.441 -14.424 -31.846 1.00 33.30 H new ATOM 0 HA ASP A 83 -1.311 -14.539 -33.901 1.00 4.10 H new ATOM 0 HB2 ASP A 83 -1.575 -12.312 -31.888 1.00 53.50 H new ATOM 0 HB3 ASP A 83 -0.810 -12.292 -33.465 1.00 53.50 H new ATOM 1295 N ALA A 84 0.385 -15.333 -32.296 1.00 23.11 N ATOM 1296 CA ALA A 84 1.377 -15.876 -31.376 1.00 34.52 C ATOM 1297 C ALA A 84 1.939 -14.787 -30.469 1.00 64.20 C ATOM 1298 O ALA A 84 2.387 -15.063 -29.356 1.00 14.32 O ATOM 1299 CB ALA A 84 2.498 -16.554 -32.149 1.00 24.34 C ATOM 0 H ALA A 84 0.605 -15.470 -33.282 1.00 23.11 H new ATOM 0 HA ALA A 84 0.885 -16.618 -30.746 1.00 34.52 H new ATOM 0 HB1 ALA A 84 3.232 -16.955 -31.450 1.00 24.34 H new ATOM 0 HB2 ALA A 84 2.087 -17.366 -32.749 1.00 24.34 H new ATOM 0 HB3 ALA A 84 2.980 -15.828 -32.803 1.00 24.34 H new ATOM 1305 N SER A 85 1.915 -13.550 -30.953 1.00 54.50 N ATOM 1306 CA SER A 85 2.427 -12.419 -30.188 1.00 12.05 C ATOM 1307 C SER A 85 1.564 -12.162 -28.956 1.00 2.43 C ATOM 1308 O SER A 85 2.069 -11.775 -27.901 1.00 13.31 O ATOM 1309 CB SER A 85 2.475 -11.164 -31.061 1.00 62.24 C ATOM 1310 OG SER A 85 1.830 -11.383 -32.304 1.00 64.02 O ATOM 0 H SER A 85 1.546 -13.305 -31.872 1.00 54.50 H new ATOM 0 HA SER A 85 3.437 -12.662 -29.859 1.00 12.05 H new ATOM 0 HB2 SER A 85 1.995 -10.336 -30.540 1.00 62.24 H new ATOM 0 HB3 SER A 85 3.512 -10.875 -31.232 1.00 62.24 H new ATOM 0 HG SER A 85 1.873 -10.566 -32.843 1.00 64.02 H new ATOM 1316 N CYS A 86 0.262 -12.379 -29.098 1.00 35.12 N ATOM 1317 CA CYS A 86 -0.673 -12.170 -27.998 1.00 30.25 C ATOM 1318 C CYS A 86 -0.487 -13.231 -26.918 1.00 33.24 C ATOM 1319 O CYS A 86 -0.400 -12.915 -25.732 1.00 31.14 O ATOM 1320 CB CYS A 86 -2.113 -12.196 -28.512 1.00 40.42 C ATOM 1321 SG CYS A 86 -2.503 -10.871 -29.679 1.00 14.52 S ATOM 0 H CYS A 86 -0.171 -12.700 -29.964 1.00 35.12 H new ATOM 0 HA CYS A 86 -0.469 -11.192 -27.561 1.00 30.25 H new ATOM 0 HB2 CYS A 86 -2.299 -13.156 -28.993 1.00 40.42 H new ATOM 0 HB3 CYS A 86 -2.792 -12.129 -27.662 1.00 40.42 H new ATOM 0 HG CYS A 86 -3.742 -10.978 -30.059 1.00 14.52 H new ATOM 1327 N ALA A 87 -0.429 -14.491 -27.337 1.00 13.01 N ATOM 1328 CA ALA A 87 -0.254 -15.599 -26.406 1.00 2.41 C ATOM 1329 C ALA A 87 1.075 -15.488 -25.666 1.00 33.34 C ATOM 1330 O ALA A 87 1.141 -15.696 -24.454 1.00 11.41 O ATOM 1331 CB ALA A 87 -0.341 -16.927 -27.143 1.00 43.33 C ATOM 0 H ALA A 87 -0.501 -14.770 -28.316 1.00 13.01 H new ATOM 0 HA ALA A 87 -1.056 -15.553 -25.669 1.00 2.41 H new ATOM 0 HB1 ALA A 87 -0.208 -17.745 -26.435 1.00 43.33 H new ATOM 0 HB2 ALA A 87 -1.317 -17.015 -27.621 1.00 43.33 H new ATOM 0 HB3 ALA A 87 0.440 -16.974 -27.902 1.00 43.33 H new ATOM 1337 N VAL A 88 2.132 -15.161 -26.402 1.00 71.10 N ATOM 1338 CA VAL A 88 3.459 -15.023 -25.815 1.00 4.10 C ATOM 1339 C VAL A 88 3.509 -13.855 -24.837 1.00 13.34 C ATOM 1340 O VAL A 88 4.042 -13.977 -23.735 1.00 23.05 O ATOM 1341 CB VAL A 88 4.534 -14.816 -26.899 1.00 53.11 C ATOM 1342 CG1 VAL A 88 5.882 -14.510 -26.264 1.00 34.11 C ATOM 1343 CG2 VAL A 88 4.624 -16.039 -27.799 1.00 64.01 C ATOM 0 H VAL A 88 2.095 -14.987 -27.406 1.00 71.10 H new ATOM 0 HA VAL A 88 3.666 -15.950 -25.280 1.00 4.10 H new ATOM 0 HB VAL A 88 4.247 -13.962 -27.512 1.00 53.11 H new ATOM 0 HG11 VAL A 88 6.628 -14.367 -27.045 1.00 34.11 H new ATOM 0 HG12 VAL A 88 5.805 -13.602 -25.666 1.00 34.11 H new ATOM 0 HG13 VAL A 88 6.180 -15.341 -25.625 1.00 34.11 H new ATOM 0 HG21 VAL A 88 5.388 -15.876 -28.559 1.00 64.01 H new ATOM 0 HG22 VAL A 88 4.887 -16.912 -27.201 1.00 64.01 H new ATOM 0 HG23 VAL A 88 3.661 -16.207 -28.282 1.00 64.01 H new ATOM 1353 N ALA A 89 2.948 -12.722 -25.247 1.00 72.03 N ATOM 1354 CA ALA A 89 2.925 -11.532 -24.406 1.00 44.11 C ATOM 1355 C ALA A 89 2.222 -11.809 -23.082 1.00 11.22 C ATOM 1356 O ALA A 89 2.706 -11.420 -22.018 1.00 72.42 O ATOM 1357 CB ALA A 89 2.247 -10.382 -25.136 1.00 72.31 C ATOM 0 H ALA A 89 2.503 -12.604 -26.157 1.00 72.03 H new ATOM 0 HA ALA A 89 3.956 -11.252 -24.188 1.00 44.11 H new ATOM 0 HB1 ALA A 89 2.237 -9.500 -24.496 1.00 72.31 H new ATOM 0 HB2 ALA A 89 2.794 -10.159 -26.052 1.00 72.31 H new ATOM 0 HB3 ALA A 89 1.223 -10.662 -25.384 1.00 72.31 H new ATOM 1363 N ILE A 90 1.078 -12.481 -23.154 1.00 62.21 N ATOM 1364 CA ILE A 90 0.309 -12.810 -21.960 1.00 50.24 C ATOM 1365 C ILE A 90 1.079 -13.766 -21.056 1.00 62.22 C ATOM 1366 O ILE A 90 1.178 -13.550 -19.849 1.00 12.31 O ATOM 1367 CB ILE A 90 -1.048 -13.443 -22.321 1.00 63.14 C ATOM 1368 CG1 ILE A 90 -1.872 -12.481 -23.180 1.00 21.24 C ATOM 1369 CG2 ILE A 90 -1.809 -13.820 -21.059 1.00 63.33 C ATOM 1370 CD1 ILE A 90 -2.891 -13.175 -24.056 1.00 64.14 C ATOM 0 H ILE A 90 0.663 -12.808 -24.026 1.00 62.21 H new ATOM 0 HA ILE A 90 0.134 -11.874 -21.430 1.00 50.24 H new ATOM 0 HB ILE A 90 -0.867 -14.350 -22.897 1.00 63.14 H new ATOM 0 HG12 ILE A 90 -2.386 -11.774 -22.528 1.00 21.24 H new ATOM 0 HG13 ILE A 90 -1.198 -11.901 -23.810 1.00 21.24 H new ATOM 0 HG21 ILE A 90 -2.766 -14.266 -21.331 1.00 63.33 H new ATOM 0 HG22 ILE A 90 -1.225 -14.537 -20.482 1.00 63.33 H new ATOM 0 HG23 ILE A 90 -1.982 -12.927 -20.458 1.00 63.33 H new ATOM 0 HD11 ILE A 90 -3.438 -12.432 -24.636 1.00 64.14 H new ATOM 0 HD12 ILE A 90 -2.382 -13.861 -24.733 1.00 64.14 H new ATOM 0 HD13 ILE A 90 -3.589 -13.733 -23.431 1.00 64.14 H new ATOM 1382 N GLU A 91 1.625 -14.823 -21.650 1.00 35.32 N ATOM 1383 CA GLU A 91 2.387 -15.812 -20.897 1.00 62.31 C ATOM 1384 C GLU A 91 3.555 -15.157 -20.165 1.00 50.03 C ATOM 1385 O GLU A 91 3.897 -15.545 -19.049 1.00 14.13 O ATOM 1386 CB GLU A 91 2.906 -16.907 -21.831 1.00 63.41 C ATOM 1387 CG GLU A 91 3.052 -18.262 -21.159 1.00 24.13 C ATOM 1388 CD GLU A 91 3.809 -19.259 -22.014 1.00 64.40 C ATOM 1389 OE1 GLU A 91 4.602 -18.821 -22.874 1.00 61.10 O ATOM 1390 OE2 GLU A 91 3.609 -20.477 -21.824 1.00 64.21 O ATOM 0 H GLU A 91 1.554 -15.016 -22.649 1.00 35.32 H new ATOM 0 HA GLU A 91 1.722 -16.259 -20.158 1.00 62.31 H new ATOM 0 HB2 GLU A 91 2.227 -17.002 -22.678 1.00 63.41 H new ATOM 0 HB3 GLU A 91 3.873 -16.603 -22.231 1.00 63.41 H new ATOM 0 HG2 GLU A 91 3.570 -18.138 -20.208 1.00 24.13 H new ATOM 0 HG3 GLU A 91 2.063 -18.660 -20.934 1.00 24.13 H new ATOM 1397 N GLU A 92 4.163 -14.162 -20.804 1.00 73.11 N ATOM 1398 CA GLU A 92 5.293 -13.454 -20.214 1.00 71.15 C ATOM 1399 C GLU A 92 4.835 -12.559 -19.067 1.00 1.52 C ATOM 1400 O GLU A 92 5.479 -12.495 -18.020 1.00 61.21 O ATOM 1401 CB GLU A 92 6.008 -12.616 -21.276 1.00 41.30 C ATOM 1402 CG GLU A 92 7.486 -12.404 -20.991 1.00 35.30 C ATOM 1403 CD GLU A 92 8.352 -12.610 -22.218 1.00 52.15 C ATOM 1404 OE1 GLU A 92 8.206 -13.661 -22.878 1.00 14.53 O ATOM 1405 OE2 GLU A 92 9.176 -11.721 -22.520 1.00 35.14 O ATOM 0 H GLU A 92 3.892 -13.829 -21.729 1.00 73.11 H new ATOM 0 HA GLU A 92 5.987 -14.195 -19.818 1.00 71.15 H new ATOM 0 HB2 GLU A 92 5.900 -13.103 -22.245 1.00 41.30 H new ATOM 0 HB3 GLU A 92 5.518 -11.645 -21.351 1.00 41.30 H new ATOM 0 HG2 GLU A 92 7.637 -11.394 -20.609 1.00 35.30 H new ATOM 0 HG3 GLU A 92 7.803 -13.092 -20.207 1.00 35.30 H new ATOM 1412 N ALA A 93 3.719 -11.867 -19.272 1.00 73.45 N ATOM 1413 CA ALA A 93 3.173 -10.977 -18.256 1.00 5.33 C ATOM 1414 C ALA A 93 2.821 -11.744 -16.986 1.00 12.32 C ATOM 1415 O ALA A 93 3.039 -11.258 -15.876 1.00 15.25 O ATOM 1416 CB ALA A 93 1.949 -10.250 -18.793 1.00 4.45 C ATOM 0 H ALA A 93 3.175 -11.906 -20.134 1.00 73.45 H new ATOM 0 HA ALA A 93 3.937 -10.241 -18.005 1.00 5.33 H new ATOM 0 HB1 ALA A 93 1.552 -9.589 -18.023 1.00 4.45 H new ATOM 0 HB2 ALA A 93 2.229 -9.662 -19.667 1.00 4.45 H new ATOM 0 HB3 ALA A 93 1.188 -10.978 -19.074 1.00 4.45 H new ATOM 1422 N ILE A 94 2.275 -12.943 -17.157 1.00 21.00 N ATOM 1423 CA ILE A 94 1.893 -13.777 -16.024 1.00 11.41 C ATOM 1424 C ILE A 94 3.108 -14.468 -15.415 1.00 43.41 C ATOM 1425 O ILE A 94 3.157 -14.710 -14.210 1.00 32.14 O ATOM 1426 CB ILE A 94 0.861 -14.844 -16.433 1.00 70.11 C ATOM 1427 CG1 ILE A 94 1.453 -15.779 -17.490 1.00 4.14 C ATOM 1428 CG2 ILE A 94 -0.407 -14.183 -16.954 1.00 23.34 C ATOM 1429 CD1 ILE A 94 0.497 -16.859 -17.945 1.00 42.23 C ATOM 0 H ILE A 94 2.087 -13.359 -18.069 1.00 21.00 H new ATOM 0 HA ILE A 94 1.445 -13.115 -15.283 1.00 11.41 H new ATOM 0 HB ILE A 94 0.605 -15.435 -15.554 1.00 70.11 H new ATOM 0 HG12 ILE A 94 1.760 -15.189 -18.354 1.00 4.14 H new ATOM 0 HG13 ILE A 94 2.352 -16.247 -17.087 1.00 4.14 H new ATOM 0 HG21 ILE A 94 -1.127 -14.950 -17.239 1.00 23.34 H new ATOM 0 HG22 ILE A 94 -0.837 -13.554 -16.174 1.00 23.34 H new ATOM 0 HG23 ILE A 94 -0.167 -13.570 -17.823 1.00 23.34 H new ATOM 0 HD11 ILE A 94 0.984 -17.484 -18.694 1.00 42.23 H new ATOM 0 HD12 ILE A 94 0.209 -17.473 -17.092 1.00 42.23 H new ATOM 0 HD13 ILE A 94 -0.392 -16.400 -18.378 1.00 42.23 H new ATOM 1441 N GLN A 95 4.088 -14.780 -16.257 1.00 60.02 N ATOM 1442 CA GLN A 95 5.304 -15.442 -15.801 1.00 65.11 C ATOM 1443 C GLN A 95 6.152 -14.500 -14.953 1.00 11.32 C ATOM 1444 O GLN A 95 6.859 -14.933 -14.042 1.00 62.54 O ATOM 1445 CB GLN A 95 6.118 -15.941 -16.997 1.00 35.42 C ATOM 1446 CG GLN A 95 7.298 -16.817 -16.607 1.00 53.31 C ATOM 1447 CD GLN A 95 7.956 -17.476 -17.803 1.00 53.44 C ATOM 1448 OE1 GLN A 95 7.353 -18.313 -18.475 1.00 32.31 O ATOM 1449 NE2 GLN A 95 9.200 -17.100 -18.077 1.00 13.33 N ATOM 0 H GLN A 95 4.063 -14.585 -17.258 1.00 60.02 H new ATOM 0 HA GLN A 95 5.014 -16.294 -15.186 1.00 65.11 H new ATOM 0 HB2 GLN A 95 5.463 -16.503 -17.662 1.00 35.42 H new ATOM 0 HB3 GLN A 95 6.484 -15.083 -17.560 1.00 35.42 H new ATOM 0 HG2 GLN A 95 8.035 -16.213 -16.079 1.00 53.31 H new ATOM 0 HG3 GLN A 95 6.960 -17.587 -15.913 1.00 53.31 H new ATOM 0 HE21 GLN A 95 9.662 -16.403 -17.493 1.00 13.33 H new ATOM 0 HE22 GLN A 95 9.693 -17.509 -18.871 1.00 13.33 H new ATOM 1458 N LEU A 96 6.076 -13.209 -15.257 1.00 45.20 N ATOM 1459 CA LEU A 96 6.837 -12.204 -14.522 1.00 41.14 C ATOM 1460 C LEU A 96 6.033 -11.667 -13.342 1.00 62.44 C ATOM 1461 O LEU A 96 6.591 -11.349 -12.292 1.00 13.11 O ATOM 1462 CB LEU A 96 7.230 -11.054 -15.451 1.00 44.22 C ATOM 1463 CG LEU A 96 6.076 -10.307 -16.121 1.00 63.30 C ATOM 1464 CD1 LEU A 96 5.566 -9.194 -15.220 1.00 2.25 C ATOM 1465 CD2 LEU A 96 6.513 -9.748 -17.467 1.00 74.24 C ATOM 0 H LEU A 96 5.496 -12.833 -16.007 1.00 45.20 H new ATOM 0 HA LEU A 96 7.740 -12.678 -14.137 1.00 41.14 H new ATOM 0 HB2 LEU A 96 7.817 -10.336 -14.879 1.00 44.22 H new ATOM 0 HB3 LEU A 96 7.881 -11.450 -16.230 1.00 44.22 H new ATOM 0 HG LEU A 96 5.262 -11.012 -16.290 1.00 63.30 H new ATOM 0 HD11 LEU A 96 4.745 -8.674 -15.714 1.00 2.25 H new ATOM 0 HD12 LEU A 96 5.213 -9.619 -14.280 1.00 2.25 H new ATOM 0 HD13 LEU A 96 6.373 -8.490 -15.019 1.00 2.25 H new ATOM 0 HD21 LEU A 96 5.679 -9.220 -17.930 1.00 74.24 H new ATOM 0 HD22 LEU A 96 7.344 -9.058 -17.322 1.00 74.24 H new ATOM 0 HD23 LEU A 96 6.829 -10.565 -18.115 1.00 74.24 H new ATOM 1477 N TYR A 97 4.721 -11.572 -13.522 1.00 74.22 N ATOM 1478 CA TYR A 97 3.840 -11.074 -12.472 1.00 75.35 C ATOM 1479 C TYR A 97 3.775 -12.054 -11.305 1.00 71.51 C ATOM 1480 O TYR A 97 3.827 -11.655 -10.142 1.00 60.24 O ATOM 1481 CB TYR A 97 2.435 -10.833 -13.028 1.00 41.34 C ATOM 1482 CG TYR A 97 1.467 -10.280 -12.007 1.00 54.25 C ATOM 1483 CD1 TYR A 97 1.853 -9.278 -11.126 1.00 3.23 C ATOM 1484 CD2 TYR A 97 0.165 -10.760 -11.924 1.00 5.43 C ATOM 1485 CE1 TYR A 97 0.972 -8.770 -10.191 1.00 2.13 C ATOM 1486 CE2 TYR A 97 -0.723 -10.257 -10.993 1.00 2.40 C ATOM 1487 CZ TYR A 97 -0.315 -9.262 -10.129 1.00 22.23 C ATOM 1488 OH TYR A 97 -1.196 -8.760 -9.199 1.00 52.51 O ATOM 0 H TYR A 97 4.244 -11.833 -14.385 1.00 74.22 H new ATOM 0 HA TYR A 97 4.247 -10.130 -12.109 1.00 75.35 H new ATOM 0 HB2 TYR A 97 2.499 -10.141 -13.868 1.00 41.34 H new ATOM 0 HB3 TYR A 97 2.042 -11.772 -13.418 1.00 41.34 H new ATOM 0 HD1 TYR A 97 2.860 -8.889 -11.173 1.00 3.23 H new ATOM 0 HD2 TYR A 97 -0.158 -11.539 -12.599 1.00 5.43 H new ATOM 0 HE1 TYR A 97 1.289 -7.992 -9.512 1.00 2.13 H new ATOM 0 HE2 TYR A 97 -1.731 -10.641 -10.942 1.00 2.40 H new ATOM 0 HH TYR A 97 -2.060 -9.213 -9.289 1.00 52.51 H new ATOM 1498 N GLU A 98 3.662 -13.340 -11.626 1.00 14.35 N ATOM 1499 CA GLU A 98 3.590 -14.378 -10.604 1.00 13.53 C ATOM 1500 C GLU A 98 4.979 -14.707 -10.065 1.00 34.44 C ATOM 1501 O GLU A 98 5.121 -15.488 -9.124 1.00 13.20 O ATOM 1502 CB GLU A 98 2.938 -15.640 -11.172 1.00 43.14 C ATOM 1503 CG GLU A 98 1.557 -15.401 -11.759 1.00 1.21 C ATOM 1504 CD GLU A 98 0.458 -16.064 -10.952 1.00 71.53 C ATOM 1505 OE1 GLU A 98 0.563 -17.282 -10.697 1.00 24.53 O ATOM 1506 OE2 GLU A 98 -0.507 -15.367 -10.577 1.00 12.21 O ATOM 0 H GLU A 98 3.618 -13.687 -12.584 1.00 14.35 H new ATOM 0 HA GLU A 98 2.980 -14.002 -9.782 1.00 13.53 H new ATOM 0 HB2 GLU A 98 3.585 -16.057 -11.944 1.00 43.14 H new ATOM 0 HB3 GLU A 98 2.863 -16.387 -10.382 1.00 43.14 H new ATOM 0 HG2 GLU A 98 1.369 -14.329 -11.810 1.00 1.21 H new ATOM 0 HG3 GLU A 98 1.530 -15.779 -12.781 1.00 1.21 H new ATOM 1513 N GLU A 99 5.999 -14.107 -10.669 1.00 25.13 N ATOM 1514 CA GLU A 99 7.377 -14.338 -10.250 1.00 60.41 C ATOM 1515 C GLU A 99 7.864 -13.216 -9.338 1.00 43.13 C ATOM 1516 O GLU A 99 8.764 -13.413 -8.522 1.00 14.13 O ATOM 1517 CB GLU A 99 8.292 -14.452 -11.471 1.00 62.11 C ATOM 1518 CG GLU A 99 9.765 -14.580 -11.118 1.00 54.43 C ATOM 1519 CD GLU A 99 10.549 -15.354 -12.160 1.00 1.22 C ATOM 1520 OE1 GLU A 99 11.058 -16.445 -11.828 1.00 72.21 O ATOM 1521 OE2 GLU A 99 10.655 -14.869 -13.305 1.00 53.25 O ATOM 0 H GLU A 99 5.898 -13.458 -11.449 1.00 25.13 H new ATOM 0 HA GLU A 99 7.408 -15.274 -9.693 1.00 60.41 H new ATOM 0 HB2 GLU A 99 7.992 -15.319 -12.060 1.00 62.11 H new ATOM 0 HB3 GLU A 99 8.153 -13.574 -12.102 1.00 62.11 H new ATOM 0 HG2 GLU A 99 10.197 -13.585 -11.009 1.00 54.43 H new ATOM 0 HG3 GLU A 99 9.862 -15.077 -10.153 1.00 54.43 H new ATOM 1528 N GLN A 100 7.264 -12.039 -9.485 1.00 70.35 N ATOM 1529 CA GLN A 100 7.638 -10.885 -8.676 1.00 74.24 C ATOM 1530 C GLN A 100 6.637 -10.665 -7.547 1.00 33.10 C ATOM 1531 O GLN A 100 6.991 -10.168 -6.477 1.00 62.11 O ATOM 1532 CB GLN A 100 7.725 -9.631 -9.548 1.00 75.33 C ATOM 1533 CG GLN A 100 8.968 -9.582 -10.421 1.00 70.44 C ATOM 1534 CD GLN A 100 10.177 -9.040 -9.685 1.00 61.21 C ATOM 1535 OE1 GLN A 100 10.142 -7.937 -9.138 1.00 64.53 O ATOM 1536 NE2 GLN A 100 11.256 -9.814 -9.667 1.00 72.40 N ATOM 0 H GLN A 100 6.517 -11.860 -10.156 1.00 70.35 H new ATOM 0 HA GLN A 100 8.616 -11.082 -8.237 1.00 74.24 H new ATOM 0 HB2 GLN A 100 6.842 -9.579 -10.185 1.00 75.33 H new ATOM 0 HB3 GLN A 100 7.707 -8.750 -8.906 1.00 75.33 H new ATOM 0 HG2 GLN A 100 9.190 -10.584 -10.787 1.00 70.44 H new ATOM 0 HG3 GLN A 100 8.770 -8.960 -11.294 1.00 70.44 H new ATOM 0 HE21 GLN A 100 11.241 -10.721 -10.133 1.00 72.40 H new ATOM 0 HE22 GLN A 100 12.100 -9.502 -9.187 1.00 72.40 H new ATOM 1545 N LEU A 101 5.385 -11.038 -7.791 1.00 42.44 N ATOM 1546 CA LEU A 101 4.332 -10.881 -6.795 1.00 13.24 C ATOM 1547 C LEU A 101 4.550 -11.826 -5.618 1.00 25.13 C ATOM 1548 O LEU A 101 4.314 -11.465 -4.465 1.00 14.03 O ATOM 1549 CB LEU A 101 2.963 -11.142 -7.425 1.00 53.33 C ATOM 1550 CG LEU A 101 1.756 -10.977 -6.501 1.00 74.13 C ATOM 1551 CD1 LEU A 101 1.347 -9.515 -6.412 1.00 71.02 C ATOM 1552 CD2 LEU A 101 0.592 -11.829 -6.987 1.00 22.42 C ATOM 0 H LEU A 101 5.075 -11.451 -8.670 1.00 42.44 H new ATOM 0 HA LEU A 101 4.366 -9.856 -6.426 1.00 13.24 H new ATOM 0 HB2 LEU A 101 2.841 -10.468 -8.273 1.00 53.33 H new ATOM 0 HB3 LEU A 101 2.956 -12.157 -7.822 1.00 53.33 H new ATOM 0 HG LEU A 101 2.038 -11.316 -5.504 1.00 74.13 H new ATOM 0 HD11 LEU A 101 0.487 -9.418 -5.750 1.00 71.02 H new ATOM 0 HD12 LEU A 101 2.177 -8.928 -6.017 1.00 71.02 H new ATOM 0 HD13 LEU A 101 1.084 -9.150 -7.405 1.00 71.02 H new ATOM 0 HD21 LEU A 101 -0.258 -11.699 -6.318 1.00 22.42 H new ATOM 0 HD22 LEU A 101 0.311 -11.521 -7.994 1.00 22.42 H new ATOM 0 HD23 LEU A 101 0.888 -12.878 -6.998 1.00 22.42 H new ATOM 1564 N LYS A 102 5.006 -13.038 -5.916 1.00 22.02 N ATOM 1565 CA LYS A 102 5.261 -14.035 -4.883 1.00 62.53 C ATOM 1566 C LYS A 102 6.535 -13.706 -4.112 1.00 20.25 C ATOM 1567 O LYS A 102 6.609 -13.911 -2.900 1.00 75.24 O ATOM 1568 CB LYS A 102 5.376 -15.428 -5.508 1.00 0.13 C ATOM 1569 CG LYS A 102 4.135 -16.283 -5.320 1.00 53.11 C ATOM 1570 CD LYS A 102 2.896 -15.595 -5.869 1.00 32.04 C ATOM 1571 CE LYS A 102 2.061 -16.543 -6.715 1.00 74.22 C ATOM 1572 NZ LYS A 102 0.605 -16.398 -6.438 1.00 33.21 N ATOM 0 H LYS A 102 5.207 -13.354 -6.865 1.00 22.02 H new ATOM 0 HA LYS A 102 4.423 -14.023 -4.187 1.00 62.53 H new ATOM 0 HB2 LYS A 102 5.577 -15.323 -6.574 1.00 0.13 H new ATOM 0 HB3 LYS A 102 6.232 -15.943 -5.072 1.00 0.13 H new ATOM 0 HG2 LYS A 102 4.273 -17.241 -5.821 1.00 53.11 H new ATOM 0 HG3 LYS A 102 3.995 -16.495 -4.260 1.00 53.11 H new ATOM 0 HD2 LYS A 102 2.293 -15.216 -5.044 1.00 32.04 H new ATOM 0 HD3 LYS A 102 3.192 -14.735 -6.469 1.00 32.04 H new ATOM 0 HE2 LYS A 102 2.251 -16.350 -7.771 1.00 74.22 H new ATOM 0 HE3 LYS A 102 2.367 -17.570 -6.519 1.00 74.22 H new ATOM 0 HZ1 LYS A 102 0.070 -17.061 -7.035 1.00 33.21 H new ATOM 0 HZ2 LYS A 102 0.420 -16.607 -5.436 1.00 33.21 H new ATOM 0 HZ3 LYS A 102 0.307 -15.424 -6.650 1.00 33.21 H new ATOM 1586 N ALA A 103 7.535 -13.194 -4.821 1.00 3.33 N ATOM 1587 CA ALA A 103 8.804 -12.833 -4.201 1.00 45.12 C ATOM 1588 C ALA A 103 8.596 -11.849 -3.055 1.00 51.32 C ATOM 1589 O ALA A 103 9.350 -11.846 -2.083 1.00 64.01 O ATOM 1590 CB ALA A 103 9.750 -12.245 -5.239 1.00 31.45 C ATOM 0 H ALA A 103 7.491 -13.020 -5.825 1.00 3.33 H new ATOM 0 HA ALA A 103 9.250 -13.739 -3.790 1.00 45.12 H new ATOM 0 HB1 ALA A 103 10.694 -11.980 -4.762 1.00 31.45 H new ATOM 0 HB2 ALA A 103 9.933 -12.980 -6.022 1.00 31.45 H new ATOM 0 HB3 ALA A 103 9.301 -11.353 -5.676 1.00 31.45 H new ATOM 1596 N GLN A 104 7.568 -11.015 -3.177 1.00 43.44 N ATOM 1597 CA GLN A 104 7.262 -10.025 -2.151 1.00 45.33 C ATOM 1598 C GLN A 104 5.991 -10.398 -1.397 1.00 31.04 C ATOM 1599 O GLN A 104 5.357 -9.549 -0.771 1.00 1.13 O ATOM 1600 CB GLN A 104 7.108 -8.639 -2.780 1.00 4.32 C ATOM 1601 CG GLN A 104 8.193 -8.305 -3.791 1.00 61.33 C ATOM 1602 CD GLN A 104 8.853 -6.968 -3.520 1.00 10.32 C ATOM 1603 OE1 GLN A 104 8.186 -5.992 -3.175 1.00 52.23 O ATOM 1604 NE2 GLN A 104 10.171 -6.915 -3.674 1.00 31.33 N ATOM 0 H GLN A 104 6.933 -11.005 -3.976 1.00 43.44 H new ATOM 0 HA GLN A 104 8.090 -10.005 -1.443 1.00 45.33 H new ATOM 0 HB2 GLN A 104 6.136 -8.577 -3.269 1.00 4.32 H new ATOM 0 HB3 GLN A 104 7.116 -7.888 -1.990 1.00 4.32 H new ATOM 0 HG2 GLN A 104 8.950 -9.089 -3.777 1.00 61.33 H new ATOM 0 HG3 GLN A 104 7.761 -8.296 -4.792 1.00 61.33 H new ATOM 0 HE21 GLN A 104 10.685 -7.748 -3.961 1.00 31.33 H new ATOM 0 HE22 GLN A 104 10.669 -6.041 -3.505 1.00 31.33 H new ATOM 1613 N ALA A 105 5.624 -11.674 -1.461 1.00 15.43 N ATOM 1614 CA ALA A 105 4.429 -12.159 -0.782 1.00 74.50 C ATOM 1615 C ALA A 105 4.767 -13.292 0.181 1.00 34.32 C ATOM 1616 O ALA A 105 3.916 -14.119 0.505 1.00 34.43 O ATOM 1617 CB ALA A 105 3.394 -12.620 -1.799 1.00 4.42 C ATOM 0 H ALA A 105 6.137 -12.390 -1.976 1.00 15.43 H new ATOM 0 HA ALA A 105 4.011 -11.336 -0.202 1.00 74.50 H new ATOM 0 HB1 ALA A 105 2.507 -12.980 -1.278 1.00 4.42 H new ATOM 0 HB2 ALA A 105 3.122 -11.785 -2.445 1.00 4.42 H new ATOM 0 HB3 ALA A 105 3.811 -13.426 -2.403 1.00 4.42 H new ATOM 1623 N GLY A 106 6.016 -13.324 0.636 1.00 51.24 N ATOM 1624 CA GLY A 106 6.444 -14.360 1.557 1.00 62.22 C ATOM 1625 C GLY A 106 7.357 -15.378 0.901 1.00 13.42 C ATOM 1626 O GLY A 106 8.270 -15.903 1.536 1.00 33.44 O ATOM 0 H GLY A 106 6.739 -12.651 0.383 1.00 51.24 H new ATOM 0 HA2 GLY A 106 6.962 -13.902 2.399 1.00 62.22 H new ATOM 0 HA3 GLY A 106 5.568 -14.868 1.960 1.00 62.22 H new ATOM 1630 N GLY A 107 7.109 -15.658 -0.375 1.00 14.32 N ATOM 1631 CA GLY A 107 7.922 -16.620 -1.095 1.00 4.40 C ATOM 1632 C GLY A 107 7.154 -17.877 -1.452 1.00 44.31 C ATOM 1633 O GLY A 107 7.570 -18.985 -1.113 1.00 34.33 O ATOM 0 H GLY A 107 6.359 -15.236 -0.923 1.00 14.32 H new ATOM 0 HA2 GLY A 107 8.302 -16.159 -2.007 1.00 4.40 H new ATOM 0 HA3 GLY A 107 8.787 -16.887 -0.488 1.00 4.40 H new ATOM 1637 N THR A 108 6.029 -17.706 -2.138 1.00 54.24 N ATOM 1638 CA THR A 108 5.199 -18.835 -2.539 1.00 60.03 C ATOM 1639 C THR A 108 4.586 -19.525 -1.326 1.00 62.10 C ATOM 1640 O THR A 108 4.863 -20.694 -1.059 1.00 43.43 O ATOM 1641 CB THR A 108 6.007 -19.867 -3.349 1.00 3.34 C ATOM 1642 OG1 THR A 108 7.000 -19.201 -4.137 1.00 61.44 O ATOM 1643 CG2 THR A 108 5.094 -20.680 -4.254 1.00 4.12 C ATOM 0 H THR A 108 5.671 -16.796 -2.428 1.00 54.24 H new ATOM 0 HA THR A 108 4.403 -18.435 -3.167 1.00 60.03 H new ATOM 0 HB THR A 108 6.494 -20.546 -2.649 1.00 3.34 H new ATOM 0 HG1 THR A 108 7.511 -19.863 -4.648 1.00 61.44 H new ATOM 0 HG21 THR A 108 5.687 -21.402 -4.816 1.00 4.12 H new ATOM 0 HG22 THR A 108 4.358 -21.208 -3.648 1.00 4.12 H new ATOM 0 HG23 THR A 108 4.582 -20.013 -4.948 1.00 4.12 H new ATOM 1651 N ASN A 109 3.751 -18.794 -0.594 1.00 63.44 N ATOM 1652 CA ASN A 109 3.099 -19.337 0.592 1.00 74.35 C ATOM 1653 C ASN A 109 4.121 -19.959 1.538 1.00 33.13 C ATOM 1654 O ASN A 109 3.853 -20.979 2.173 1.00 12.41 O ATOM 1655 CB ASN A 109 2.055 -20.382 0.192 1.00 63.54 C ATOM 1656 CG ASN A 109 0.940 -19.793 -0.651 1.00 22.43 C ATOM 1657 OD1 ASN A 109 0.784 -18.575 -0.729 1.00 11.20 O ATOM 1658 ND2 ASN A 109 0.158 -20.659 -1.286 1.00 3.33 N ATOM 0 H ASN A 109 3.510 -17.825 -0.801 1.00 63.44 H new ATOM 0 HA ASN A 109 2.602 -18.517 1.111 1.00 74.35 H new ATOM 0 HB2 ASN A 109 2.542 -21.184 -0.363 1.00 63.54 H new ATOM 0 HB3 ASN A 109 1.630 -20.829 1.091 1.00 63.54 H new ATOM 0 HD21 ASN A 109 -0.609 -20.322 -1.868 1.00 3.33 H new ATOM 0 HD22 ASN A 109 0.325 -21.661 -1.192 1.00 3.33 H new ATOM 1665 N GLU A 110 5.292 -19.337 1.627 1.00 1.13 N ATOM 1666 CA GLU A 110 6.354 -19.830 2.497 1.00 41.05 C ATOM 1667 C GLU A 110 6.751 -21.253 2.116 1.00 24.44 C ATOM 1668 O GLU A 110 7.860 -21.492 1.639 1.00 61.01 O ATOM 1669 CB GLU A 110 5.907 -19.787 3.959 1.00 4.14 C ATOM 1670 CG GLU A 110 6.184 -18.458 4.641 1.00 2.44 C ATOM 1671 CD GLU A 110 4.998 -17.954 5.441 1.00 41.35 C ATOM 1672 OE1 GLU A 110 5.123 -17.838 6.678 1.00 63.02 O ATOM 1673 OE2 GLU A 110 3.945 -17.676 4.829 1.00 4.45 O ATOM 0 H GLU A 110 5.530 -18.492 1.108 1.00 1.13 H new ATOM 0 HA GLU A 110 7.222 -19.183 2.372 1.00 41.05 H new ATOM 0 HB2 GLU A 110 4.838 -19.996 4.010 1.00 4.14 H new ATOM 0 HB3 GLU A 110 6.414 -20.580 4.509 1.00 4.14 H new ATOM 0 HG2 GLU A 110 7.044 -18.565 5.302 1.00 2.44 H new ATOM 0 HG3 GLU A 110 6.451 -17.716 3.888 1.00 2.44 H new TER 1680 GLU A 110