USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= 0.735 K(o=-0.55,f=-11!) USER MOD Set 1.2: A 58 THR OG1 : rot -100:sc= -1.29 USER MOD Set 2.1: A 38 HIS : no HE2:sc= 0.865 K(o=1.6,f=-5!) USER MOD Set 2.2: A 39 ASN : amide:sc= 0.75 K(o=1.6,f=-2.5) USER MOD Set 3.1: A 25 THR OG1 : rot 92:sc= 1.64 USER MOD Set 3.2: A 31 TYR OH : rot 175:sc= 0.344 USER MOD Set 4.1: A 10 THR OG1 : rot 160:sc= 0.0057 USER MOD Set 4.2: A 14 CYS SG : rot 87:sc= -0.568! USER MOD Single : A 1 MET CE :methyl -160:sc= -0.155 (180deg=-0.803) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.235 (180deg=-0.0647) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 140:sc= -0.338 USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 1.05 (180deg=0.903) USER MOD Single : A 22 THR OG1 : rot -89:sc= 1.31 USER MOD Single : A 27 ASN : amide:sc= 0.807 K(o=0.81,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.67! C(o=-1.7!,f=-11!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= 0.728 (180deg=0.642) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -160:sc=0.000795 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.258 K(o=-0.26,f=-3.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.19) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 1.25 (180deg=0.976) USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= -0.776 (180deg=-2.76!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.0303 F(o=-0.64,f=-0.03) USER MOD Single : A 88 HIS : no HD1:sc=-0.000694 X(o=-0.00069,f=-0.0068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.130 10.775 5.909 1.00 0.00 N ATOM 2 CA MET A 1 11.757 9.526 6.304 1.00 0.00 C ATOM 3 C MET A 1 10.673 8.511 6.512 1.00 0.00 C ATOM 4 O MET A 1 9.507 8.778 6.196 1.00 0.00 O ATOM 5 CB MET A 1 12.589 9.696 7.585 1.00 0.00 C ATOM 6 CG MET A 1 13.754 10.663 7.476 1.00 0.00 C ATOM 7 SD MET A 1 14.659 10.825 9.035 1.00 0.00 S ATOM 8 CE MET A 1 13.376 11.471 10.117 1.00 0.00 C ATOM 0 H1 MET A 1 11.541 11.101 5.011 1.00 0.00 H new ATOM 0 H2 MET A 1 10.108 10.627 5.789 1.00 0.00 H new ATOM 0 H3 MET A 1 11.292 11.493 6.644 1.00 0.00 H new ATOM 0 HA MET A 1 12.442 9.198 5.522 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.930 10.035 8.385 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.974 8.720 7.881 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.435 10.322 6.697 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.384 11.641 7.170 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.836 11.949 10.982 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.776 12.202 9.574 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.737 10.654 10.452 1.00 0.00 H new ATOM 20 N VAL A 2 11.008 7.364 7.046 1.00 0.00 N ATOM 21 CA VAL A 2 10.030 6.334 7.208 1.00 0.00 C ATOM 22 C VAL A 2 9.317 6.481 8.550 1.00 0.00 C ATOM 23 O VAL A 2 9.740 5.937 9.561 1.00 0.00 O ATOM 24 CB VAL A 2 10.642 4.908 7.050 1.00 0.00 C ATOM 25 CG1 VAL A 2 9.568 3.825 7.141 1.00 0.00 C ATOM 26 CG2 VAL A 2 11.398 4.796 5.729 1.00 0.00 C ATOM 0 H VAL A 2 11.945 7.127 7.372 1.00 0.00 H new ATOM 0 HA VAL A 2 9.297 6.451 6.409 1.00 0.00 H new ATOM 0 HB VAL A 2 11.341 4.754 7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.030 2.844 7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.074 3.883 8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.833 3.974 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.819 3.795 5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.714 4.982 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.202 5.531 5.707 1.00 0.00 H new ATOM 36 N THR A 3 8.327 7.337 8.577 1.00 0.00 N ATOM 37 CA THR A 3 7.458 7.448 9.733 1.00 0.00 C ATOM 38 C THR A 3 6.248 6.554 9.461 1.00 0.00 C ATOM 39 O THR A 3 5.533 6.106 10.361 1.00 0.00 O ATOM 40 CB THR A 3 7.033 8.930 10.016 1.00 0.00 C ATOM 41 OG1 THR A 3 6.240 9.007 11.207 1.00 0.00 O ATOM 42 CG2 THR A 3 6.263 9.537 8.844 1.00 0.00 C ATOM 0 H THR A 3 8.098 7.971 7.812 1.00 0.00 H new ATOM 0 HA THR A 3 7.983 7.126 10.633 1.00 0.00 H new ATOM 0 HB THR A 3 7.949 9.506 10.152 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.984 9.939 11.370 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.988 10.564 9.082 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.890 9.527 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.361 8.953 8.660 1.00 0.00 H new ATOM 50 N ALA A 4 6.068 6.310 8.197 1.00 0.00 N ATOM 51 CA ALA A 4 5.129 5.418 7.646 1.00 0.00 C ATOM 52 C ALA A 4 5.839 4.865 6.457 1.00 0.00 C ATOM 53 O ALA A 4 6.634 5.587 5.844 1.00 0.00 O ATOM 54 CB ALA A 4 3.863 6.143 7.219 1.00 0.00 C ATOM 0 H ALA A 4 6.625 6.774 7.480 1.00 0.00 H new ATOM 0 HA ALA A 4 4.809 4.654 8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.158 5.426 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.413 6.629 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.109 6.894 6.468 1.00 0.00 H new ATOM 60 N ALA A 5 5.650 3.629 6.161 1.00 0.00 N ATOM 61 CA ALA A 5 6.342 3.048 5.031 1.00 0.00 C ATOM 62 C ALA A 5 5.458 3.154 3.813 1.00 0.00 C ATOM 63 O ALA A 5 5.843 3.702 2.771 1.00 0.00 O ATOM 64 CB ALA A 5 6.725 1.610 5.326 1.00 0.00 C ATOM 0 H ALA A 5 5.033 2.994 6.668 1.00 0.00 H new ATOM 0 HA ALA A 5 7.268 3.591 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.245 1.188 4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.380 1.579 6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.826 1.028 5.528 1.00 0.00 H new ATOM 70 N LEU A 6 4.265 2.666 3.970 1.00 0.00 N ATOM 71 CA LEU A 6 3.254 2.742 2.974 1.00 0.00 C ATOM 72 C LEU A 6 1.938 2.739 3.664 1.00 0.00 C ATOM 73 O LEU A 6 1.737 1.987 4.612 1.00 0.00 O ATOM 74 CB LEU A 6 3.311 1.595 1.931 1.00 0.00 C ATOM 75 CG LEU A 6 3.205 0.147 2.456 1.00 0.00 C ATOM 76 CD1 LEU A 6 2.746 -0.766 1.351 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.550 -0.340 2.968 1.00 0.00 C ATOM 0 H LEU A 6 3.965 2.191 4.821 1.00 0.00 H new ATOM 0 HA LEU A 6 3.413 3.659 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.505 1.752 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.248 1.686 1.382 1.00 0.00 H new ATOM 0 HG LEU A 6 2.485 0.135 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.673 -1.786 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.769 -0.441 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.463 -0.733 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.452 -1.362 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.279 -0.312 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.885 0.305 3.780 1.00 0.00 H new ATOM 89 N THR A 7 1.068 3.572 3.224 1.00 0.00 N ATOM 90 CA THR A 7 -0.227 3.674 3.777 1.00 0.00 C ATOM 91 C THR A 7 -1.194 2.958 2.844 1.00 0.00 C ATOM 92 O THR A 7 -1.423 3.379 1.704 1.00 0.00 O ATOM 93 CB THR A 7 -0.603 5.159 3.948 1.00 0.00 C ATOM 94 OG1 THR A 7 0.440 5.806 4.721 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.928 5.306 4.682 1.00 0.00 C ATOM 0 H THR A 7 1.243 4.215 2.452 1.00 0.00 H new ATOM 0 HA THR A 7 -0.269 3.210 4.762 1.00 0.00 H new ATOM 0 HB THR A 7 -0.703 5.617 2.964 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.220 6.754 4.839 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.169 6.364 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.715 4.810 4.115 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.850 4.850 5.669 1.00 0.00 H new ATOM 103 N ILE A 8 -1.681 1.849 3.320 1.00 0.00 N ATOM 104 CA ILE A 8 -2.548 0.977 2.580 1.00 0.00 C ATOM 105 C ILE A 8 -4.003 1.379 2.763 1.00 0.00 C ATOM 106 O ILE A 8 -4.466 1.573 3.895 1.00 0.00 O ATOM 107 CB ILE A 8 -2.355 -0.491 3.063 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.956 -1.013 2.737 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.424 -1.407 2.518 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.668 -2.379 3.310 1.00 0.00 C ATOM 0 H ILE A 8 -1.480 1.516 4.263 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.292 1.056 1.523 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.457 -0.484 4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.835 -1.050 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.217 -0.307 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.253 -2.421 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.403 -1.063 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.389 -1.399 1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.343 -2.682 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.755 -2.344 4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.383 -3.099 2.912 1.00 0.00 H new ATOM 122 N TYR A 9 -4.705 1.506 1.656 1.00 0.00 N ATOM 123 CA TYR A 9 -6.115 1.813 1.655 1.00 0.00 C ATOM 124 C TYR A 9 -6.914 0.628 1.131 1.00 0.00 C ATOM 125 O TYR A 9 -6.855 0.316 -0.066 1.00 0.00 O ATOM 126 CB TYR A 9 -6.412 3.014 0.766 1.00 0.00 C ATOM 127 CG TYR A 9 -5.722 4.287 1.153 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.110 4.992 2.274 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.702 4.798 0.378 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.494 6.173 2.615 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.080 5.971 0.712 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.478 6.659 1.829 1.00 0.00 C ATOM 133 OH TYR A 9 -3.860 7.843 2.158 1.00 0.00 O ATOM 0 H TYR A 9 -4.306 1.397 0.724 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.400 2.038 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.131 2.765 -0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.488 3.189 0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.909 4.611 2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.389 4.264 -0.507 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.807 6.715 3.495 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.278 6.353 0.097 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.163 8.042 1.499 1.00 0.00 H new ATOM 143 N THR A 10 -7.573 -0.069 2.023 1.00 0.00 N ATOM 144 CA THR A 10 -8.474 -1.142 1.676 1.00 0.00 C ATOM 145 C THR A 10 -9.333 -1.449 2.916 1.00 0.00 C ATOM 146 O THR A 10 -9.324 -0.663 3.886 1.00 0.00 O ATOM 147 CB THR A 10 -7.705 -2.410 1.148 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.615 -3.426 0.699 1.00 0.00 O ATOM 149 CG2 THR A 10 -6.773 -2.984 2.196 1.00 0.00 C ATOM 0 H THR A 10 -7.498 0.095 3.027 1.00 0.00 H new ATOM 0 HA THR A 10 -9.118 -0.838 0.851 1.00 0.00 H new ATOM 0 HB THR A 10 -7.104 -2.077 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.146 -4.043 0.098 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.263 -3.857 1.790 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.036 -2.232 2.479 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.349 -3.276 3.074 1.00 0.00 H new ATOM 157 N THR A 11 -10.104 -2.515 2.884 1.00 0.00 N ATOM 158 CA THR A 11 -10.895 -2.929 4.017 1.00 0.00 C ATOM 159 C THR A 11 -11.026 -4.456 3.964 1.00 0.00 C ATOM 160 O THR A 11 -10.771 -5.056 2.911 1.00 0.00 O ATOM 161 CB THR A 11 -12.306 -2.296 4.014 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.201 -0.950 3.633 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.914 -2.315 5.414 1.00 0.00 C ATOM 0 H THR A 11 -10.198 -3.119 2.068 1.00 0.00 H new ATOM 0 HA THR A 11 -10.397 -2.597 4.928 1.00 0.00 H new ATOM 0 HB THR A 11 -12.931 -2.867 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.092 -0.541 3.627 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.906 -1.864 5.386 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.993 -3.345 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.278 -1.749 6.095 1.00 0.00 H new ATOM 171 N SER A 12 -11.438 -5.057 5.060 1.00 0.00 N ATOM 172 CA SER A 12 -11.580 -6.500 5.211 1.00 0.00 C ATOM 173 C SER A 12 -12.510 -7.157 4.143 1.00 0.00 C ATOM 174 O SER A 12 -12.409 -8.353 3.896 1.00 0.00 O ATOM 175 CB SER A 12 -12.087 -6.790 6.626 1.00 0.00 C ATOM 176 OG SER A 12 -12.106 -8.181 6.920 1.00 0.00 O ATOM 0 H SER A 12 -11.693 -4.542 5.902 1.00 0.00 H new ATOM 0 HA SER A 12 -10.600 -6.949 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.452 -6.277 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.092 -6.384 6.739 1.00 0.00 H new ATOM 0 HG SER A 12 -12.435 -8.318 7.833 1.00 0.00 H new ATOM 182 N TRP A 13 -13.379 -6.383 3.508 1.00 0.00 N ATOM 183 CA TRP A 13 -14.297 -6.933 2.497 1.00 0.00 C ATOM 184 C TRP A 13 -13.657 -7.090 1.114 1.00 0.00 C ATOM 185 O TRP A 13 -14.306 -7.569 0.171 1.00 0.00 O ATOM 186 CB TRP A 13 -15.594 -6.110 2.403 1.00 0.00 C ATOM 187 CG TRP A 13 -15.395 -4.627 2.285 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.478 -3.735 3.295 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.097 -3.861 1.097 1.00 0.00 C ATOM 190 NE1 TRP A 13 -15.241 -2.473 2.840 1.00 0.00 N ATOM 191 CE2 TRP A 13 -15.004 -2.516 1.492 1.00 0.00 C ATOM 192 CE3 TRP A 13 -14.891 -4.182 -0.250 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -14.717 -1.491 0.593 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -14.609 -3.164 -1.141 1.00 0.00 C ATOM 195 CH2 TRP A 13 -14.523 -1.835 -0.716 1.00 0.00 C ATOM 0 H TRP A 13 -13.474 -5.380 3.667 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.544 -7.937 2.842 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.164 -6.455 1.540 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.200 -6.311 3.287 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.701 -3.987 4.321 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.240 -1.629 3.413 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -14.951 -5.206 -0.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -14.650 -0.463 0.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.452 -3.399 -2.183 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -14.298 -1.063 -1.437 1.00 0.00 H new ATOM 206 N CYS A 14 -12.415 -6.687 0.988 1.00 0.00 N ATOM 207 CA CYS A 14 -11.705 -6.779 -0.266 1.00 0.00 C ATOM 208 C CYS A 14 -10.871 -8.060 -0.293 1.00 0.00 C ATOM 209 O CYS A 14 -10.099 -8.322 0.637 1.00 0.00 O ATOM 210 CB CYS A 14 -10.822 -5.530 -0.448 1.00 0.00 C ATOM 211 SG CYS A 14 -9.810 -5.483 -1.951 1.00 0.00 S ATOM 0 H CYS A 14 -11.869 -6.287 1.751 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.413 -6.820 -1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.466 -4.650 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.160 -5.449 0.414 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.506 -4.981 -2.927 1.00 0.00 H new ATOM 217 N GLY A 15 -11.010 -8.834 -1.358 1.00 0.00 N ATOM 218 CA GLY A 15 -10.294 -10.099 -1.491 1.00 0.00 C ATOM 219 C GLY A 15 -8.798 -9.898 -1.597 1.00 0.00 C ATOM 220 O GLY A 15 -8.006 -10.714 -1.131 1.00 0.00 O ATOM 0 H GLY A 15 -11.615 -8.609 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.514 -10.732 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.652 -10.626 -2.375 1.00 0.00 H new ATOM 224 N TYR A 16 -8.403 -8.800 -2.185 1.00 0.00 N ATOM 225 CA TYR A 16 -7.001 -8.492 -2.294 1.00 0.00 C ATOM 226 C TYR A 16 -6.429 -7.884 -1.019 1.00 0.00 C ATOM 227 O TYR A 16 -5.222 -7.712 -0.920 1.00 0.00 O ATOM 228 CB TYR A 16 -6.692 -7.608 -3.485 1.00 0.00 C ATOM 229 CG TYR A 16 -6.703 -8.306 -4.816 1.00 0.00 C ATOM 230 CD1 TYR A 16 -5.743 -9.263 -5.124 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.655 -8.003 -5.770 1.00 0.00 C ATOM 232 CE1 TYR A 16 -5.738 -9.896 -6.349 1.00 0.00 C ATOM 233 CE2 TYR A 16 -7.656 -8.629 -6.997 1.00 0.00 C ATOM 234 CZ TYR A 16 -6.698 -9.572 -7.285 1.00 0.00 C ATOM 235 OH TYR A 16 -6.697 -10.197 -8.515 1.00 0.00 O ATOM 0 H TYR A 16 -9.029 -8.106 -2.594 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.508 -9.451 -2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.417 -6.795 -3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.711 -7.155 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.989 -9.515 -4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.411 -7.263 -5.550 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.988 -10.640 -6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.408 -8.380 -7.731 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.439 -9.855 -9.056 1.00 0.00 H new ATOM 245 N CYS A 17 -7.282 -7.564 -0.051 1.00 0.00 N ATOM 246 CA CYS A 17 -6.819 -6.981 1.202 1.00 0.00 C ATOM 247 C CYS A 17 -5.945 -7.975 1.957 1.00 0.00 C ATOM 248 O CYS A 17 -4.744 -7.741 2.143 1.00 0.00 O ATOM 249 CB CYS A 17 -7.994 -6.536 2.081 1.00 0.00 C ATOM 250 SG CYS A 17 -7.526 -5.981 3.742 1.00 0.00 S ATOM 0 H CYS A 17 -8.291 -7.698 -0.110 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.228 -6.098 0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.522 -5.726 1.577 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.696 -7.365 2.173 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.236 -4.942 4.069 1.00 0.00 H new ATOM 256 N LEU A 18 -6.521 -9.118 2.329 1.00 0.00 N ATOM 257 CA LEU A 18 -5.782 -10.120 3.092 1.00 0.00 C ATOM 258 C LEU A 18 -4.670 -10.733 2.244 1.00 0.00 C ATOM 259 O LEU A 18 -3.622 -11.133 2.772 1.00 0.00 O ATOM 260 CB LEU A 18 -6.685 -11.233 3.680 1.00 0.00 C ATOM 261 CG LEU A 18 -7.264 -12.299 2.723 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.932 -13.380 3.521 1.00 0.00 C ATOM 263 CD2 LEU A 18 -8.265 -11.715 1.756 1.00 0.00 C ATOM 0 H LEU A 18 -7.486 -9.370 2.117 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.344 -9.593 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.112 -11.753 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.523 -10.749 4.182 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.433 -12.703 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.340 -14.132 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.203 -13.846 4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.739 -12.949 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.644 -12.503 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.093 -11.274 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.782 -10.946 1.153 1.00 0.00 H new ATOM 275 N ARG A 19 -4.893 -10.772 0.928 1.00 0.00 N ATOM 276 CA ARG A 19 -3.915 -11.299 -0.019 1.00 0.00 C ATOM 277 C ARG A 19 -2.648 -10.437 0.025 1.00 0.00 C ATOM 278 O ARG A 19 -1.524 -10.947 -0.013 1.00 0.00 O ATOM 279 CB ARG A 19 -4.508 -11.310 -1.439 1.00 0.00 C ATOM 280 CG ARG A 19 -3.625 -11.961 -2.513 1.00 0.00 C ATOM 281 CD ARG A 19 -3.368 -13.440 -2.223 1.00 0.00 C ATOM 282 NE ARG A 19 -2.577 -14.080 -3.283 1.00 0.00 N ATOM 283 CZ ARG A 19 -1.929 -15.254 -3.182 1.00 0.00 C ATOM 284 NH1 ARG A 19 -1.941 -15.944 -2.042 1.00 0.00 N ATOM 285 NH2 ARG A 19 -1.278 -15.735 -4.229 1.00 0.00 N ATOM 0 H ARG A 19 -5.754 -10.440 0.493 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.659 -12.323 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.464 -11.833 -1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.715 -10.282 -1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.105 -11.860 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.674 -11.432 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.845 -13.537 -1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.320 -13.960 -2.118 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.514 -13.590 -4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.446 -15.583 -1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.445 -16.833 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.269 -15.216 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.785 -16.625 -4.158 1.00 0.00 H new ATOM 299 N LEU A 20 -2.854 -9.144 0.148 1.00 0.00 N ATOM 300 CA LEU A 20 -1.780 -8.183 0.239 1.00 0.00 C ATOM 301 C LEU A 20 -1.135 -8.203 1.627 1.00 0.00 C ATOM 302 O LEU A 20 0.098 -8.227 1.746 1.00 0.00 O ATOM 303 CB LEU A 20 -2.318 -6.788 -0.070 1.00 0.00 C ATOM 304 CG LEU A 20 -1.371 -5.626 0.168 1.00 0.00 C ATOM 305 CD1 LEU A 20 -0.162 -5.689 -0.762 1.00 0.00 C ATOM 306 CD2 LEU A 20 -2.104 -4.316 0.031 1.00 0.00 C ATOM 0 H LEU A 20 -3.784 -8.727 0.188 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.014 -8.450 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.628 -6.766 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.213 -6.627 0.531 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.992 -5.700 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.494 -4.842 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.382 -6.618 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.498 -5.653 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.412 -3.492 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.520 -4.235 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.911 -4.272 0.763 1.00 0.00 H new ATOM 318 N LYS A 21 -1.975 -8.211 2.675 1.00 0.00 N ATOM 319 CA LYS A 21 -1.492 -8.200 4.069 1.00 0.00 C ATOM 320 C LYS A 21 -0.506 -9.329 4.309 1.00 0.00 C ATOM 321 O LYS A 21 0.602 -9.109 4.811 1.00 0.00 O ATOM 322 CB LYS A 21 -2.646 -8.334 5.086 1.00 0.00 C ATOM 323 CG LYS A 21 -3.700 -7.234 5.048 1.00 0.00 C ATOM 324 CD LYS A 21 -3.108 -5.852 5.268 1.00 0.00 C ATOM 325 CE LYS A 21 -4.200 -4.794 5.335 1.00 0.00 C ATOM 326 NZ LYS A 21 -5.067 -4.951 6.525 1.00 0.00 N ATOM 0 H LYS A 21 -2.991 -8.225 2.585 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.003 -7.237 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.141 -9.291 4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.219 -8.366 6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.211 -7.258 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.452 -7.429 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.531 -5.843 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.417 -5.616 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.743 -3.805 5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.811 -4.849 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.740 -4.160 6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.590 -5.847 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.480 -4.957 7.384 1.00 0.00 H new ATOM 340 N THR A 22 -0.889 -10.517 3.904 1.00 0.00 N ATOM 341 CA THR A 22 -0.076 -11.691 4.103 1.00 0.00 C ATOM 342 C THR A 22 1.218 -11.643 3.281 1.00 0.00 C ATOM 343 O THR A 22 2.281 -12.028 3.773 1.00 0.00 O ATOM 344 CB THR A 22 -0.883 -12.975 3.819 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.583 -12.839 2.571 1.00 0.00 O ATOM 346 CG2 THR A 22 -1.887 -13.232 4.931 1.00 0.00 C ATOM 0 H THR A 22 -1.773 -10.696 3.427 1.00 0.00 H new ATOM 0 HA THR A 22 0.221 -11.707 5.152 1.00 0.00 H new ATOM 0 HB THR A 22 -0.191 -13.815 3.766 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.463 -12.438 2.731 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.447 -14.142 4.713 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.359 -13.349 5.878 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.576 -12.390 5.001 1.00 0.00 H new ATOM 354 N ALA A 23 1.130 -11.104 2.065 1.00 0.00 N ATOM 355 CA ALA A 23 2.280 -10.983 1.170 1.00 0.00 C ATOM 356 C ALA A 23 3.359 -10.115 1.795 1.00 0.00 C ATOM 357 O ALA A 23 4.548 -10.481 1.806 1.00 0.00 O ATOM 358 CB ALA A 23 1.856 -10.393 -0.165 1.00 0.00 C ATOM 0 H ALA A 23 0.261 -10.740 1.674 1.00 0.00 H new ATOM 0 HA ALA A 23 2.685 -11.982 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.724 -10.310 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.113 -11.041 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.426 -9.404 -0.006 1.00 0.00 H new ATOM 364 N LEU A 24 2.946 -8.986 2.338 1.00 0.00 N ATOM 365 CA LEU A 24 3.873 -8.062 2.968 1.00 0.00 C ATOM 366 C LEU A 24 4.405 -8.639 4.267 1.00 0.00 C ATOM 367 O LEU A 24 5.599 -8.572 4.533 1.00 0.00 O ATOM 368 CB LEU A 24 3.223 -6.700 3.234 1.00 0.00 C ATOM 369 CG LEU A 24 2.624 -5.933 2.042 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.102 -4.596 2.504 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.629 -5.725 0.927 1.00 0.00 C ATOM 0 H LEU A 24 1.972 -8.685 2.356 1.00 0.00 H new ATOM 0 HA LEU A 24 4.701 -7.914 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.430 -6.847 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.972 -6.059 3.699 1.00 0.00 H new ATOM 0 HG LEU A 24 1.810 -6.539 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.679 -4.058 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.330 -4.748 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.919 -4.015 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.158 -5.179 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.477 -5.153 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.976 -6.693 0.565 1.00 0.00 H new ATOM 383 N THR A 25 3.526 -9.244 5.039 1.00 0.00 N ATOM 384 CA THR A 25 3.887 -9.814 6.323 1.00 0.00 C ATOM 385 C THR A 25 4.922 -10.959 6.164 1.00 0.00 C ATOM 386 O THR A 25 5.898 -11.034 6.925 1.00 0.00 O ATOM 387 CB THR A 25 2.622 -10.298 7.075 1.00 0.00 C ATOM 388 OG1 THR A 25 1.712 -9.189 7.230 1.00 0.00 O ATOM 389 CG2 THR A 25 2.968 -10.840 8.449 1.00 0.00 C ATOM 0 H THR A 25 2.542 -9.355 4.795 1.00 0.00 H new ATOM 0 HA THR A 25 4.360 -9.034 6.919 1.00 0.00 H new ATOM 0 HB THR A 25 2.165 -11.097 6.492 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.085 -9.173 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.058 -11.171 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.652 -11.682 8.346 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.443 -10.057 9.040 1.00 0.00 H new ATOM 397 N ALA A 26 4.736 -11.798 5.139 1.00 0.00 N ATOM 398 CA ALA A 26 5.656 -12.907 4.852 1.00 0.00 C ATOM 399 C ALA A 26 7.014 -12.383 4.381 1.00 0.00 C ATOM 400 O ALA A 26 8.048 -13.019 4.580 1.00 0.00 O ATOM 401 CB ALA A 26 5.057 -13.832 3.805 1.00 0.00 C ATOM 0 H ALA A 26 3.952 -11.730 4.490 1.00 0.00 H new ATOM 0 HA ALA A 26 5.808 -13.469 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.750 -14.649 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.115 -14.238 4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.876 -13.273 2.887 1.00 0.00 H new ATOM 407 N ASN A 27 7.002 -11.211 3.773 1.00 0.00 N ATOM 408 CA ASN A 27 8.226 -10.569 3.306 1.00 0.00 C ATOM 409 C ASN A 27 8.816 -9.658 4.360 1.00 0.00 C ATOM 410 O ASN A 27 9.811 -8.976 4.110 1.00 0.00 O ATOM 411 CB ASN A 27 8.008 -9.807 1.998 1.00 0.00 C ATOM 412 CG ASN A 27 8.080 -10.694 0.773 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.153 -10.887 0.202 1.00 0.00 O ATOM 414 ND2 ASN A 27 6.963 -11.220 0.346 1.00 0.00 N ATOM 0 H ASN A 27 6.153 -10.677 3.588 1.00 0.00 H new ATOM 0 HA ASN A 27 8.942 -11.368 3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.034 -9.318 2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.758 -9.020 1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.963 -11.811 -0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.091 -11.039 0.844 1.00 0.00 H new ATOM 421 N ARG A 28 8.185 -9.661 5.545 1.00 0.00 N ATOM 422 CA ARG A 28 8.606 -8.876 6.720 1.00 0.00 C ATOM 423 C ARG A 28 8.578 -7.381 6.434 1.00 0.00 C ATOM 424 O ARG A 28 9.318 -6.602 7.041 1.00 0.00 O ATOM 425 CB ARG A 28 10.000 -9.290 7.192 1.00 0.00 C ATOM 426 CG ARG A 28 10.130 -10.752 7.563 1.00 0.00 C ATOM 427 CD ARG A 28 11.498 -11.027 8.140 1.00 0.00 C ATOM 428 NE ARG A 28 11.754 -10.239 9.356 1.00 0.00 N ATOM 429 CZ ARG A 28 12.959 -9.761 9.712 1.00 0.00 C ATOM 430 NH1 ARG A 28 14.004 -9.920 8.905 1.00 0.00 N ATOM 431 NH2 ARG A 28 13.112 -9.116 10.856 1.00 0.00 N ATOM 0 H ARG A 28 7.350 -10.221 5.718 1.00 0.00 H new ATOM 0 HA ARG A 28 7.891 -9.086 7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.718 -9.063 6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.272 -8.684 8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.362 -11.020 8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.968 -11.373 6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.587 -12.089 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.259 -10.798 7.393 1.00 0.00 H new ATOM 0 HE ARG A 28 10.964 -10.042 9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.892 -10.405 8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.918 -9.557 9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.313 -8.978 11.475 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.029 -8.756 11.120 1.00 0.00 H new ATOM 445 N ILE A 29 7.702 -6.981 5.563 1.00 0.00 N ATOM 446 CA ILE A 29 7.597 -5.599 5.180 1.00 0.00 C ATOM 447 C ILE A 29 6.778 -4.855 6.207 1.00 0.00 C ATOM 448 O ILE A 29 5.723 -5.337 6.644 1.00 0.00 O ATOM 449 CB ILE A 29 6.945 -5.458 3.786 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.771 -6.226 2.757 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.825 -3.981 3.387 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.142 -6.299 1.397 1.00 0.00 C ATOM 0 H ILE A 29 7.039 -7.600 5.096 1.00 0.00 H new ATOM 0 HA ILE A 29 8.600 -5.175 5.130 1.00 0.00 H new ATOM 0 HB ILE A 29 5.939 -5.877 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.750 -5.755 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.937 -7.239 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.363 -3.906 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.209 -3.456 4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.817 -3.530 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.791 -6.861 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.176 -6.798 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.001 -5.291 1.007 1.00 0.00 H new ATOM 464 N ALA A 30 7.288 -3.739 6.639 1.00 0.00 N ATOM 465 CA ALA A 30 6.583 -2.891 7.557 1.00 0.00 C ATOM 466 C ALA A 30 5.555 -2.097 6.784 1.00 0.00 C ATOM 467 O ALA A 30 5.877 -1.512 5.753 1.00 0.00 O ATOM 468 CB ALA A 30 7.554 -1.959 8.256 1.00 0.00 C ATOM 0 H ALA A 30 8.206 -3.390 6.365 1.00 0.00 H new ATOM 0 HA ALA A 30 6.086 -3.495 8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.009 -1.320 8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.290 -2.546 8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.062 -1.341 7.516 1.00 0.00 H new ATOM 474 N TYR A 31 4.333 -2.092 7.242 1.00 0.00 N ATOM 475 CA TYR A 31 3.294 -1.363 6.558 1.00 0.00 C ATOM 476 C TYR A 31 2.387 -0.654 7.518 1.00 0.00 C ATOM 477 O TYR A 31 2.394 -0.931 8.722 1.00 0.00 O ATOM 478 CB TYR A 31 2.505 -2.250 5.570 1.00 0.00 C ATOM 479 CG TYR A 31 1.807 -3.459 6.167 1.00 0.00 C ATOM 480 CD1 TYR A 31 0.513 -3.368 6.665 1.00 0.00 C ATOM 481 CD2 TYR A 31 2.433 -4.700 6.198 1.00 0.00 C ATOM 482 CE1 TYR A 31 -0.134 -4.470 7.172 1.00 0.00 C ATOM 483 CE2 TYR A 31 1.792 -5.809 6.710 1.00 0.00 C ATOM 484 CZ TYR A 31 0.510 -5.689 7.196 1.00 0.00 C ATOM 485 OH TYR A 31 -0.143 -6.802 7.692 1.00 0.00 O ATOM 0 H TYR A 31 4.030 -2.582 8.084 1.00 0.00 H new ATOM 0 HA TYR A 31 3.791 -0.599 5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.756 -1.631 5.076 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.191 -2.597 4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.006 -2.414 6.654 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.438 -4.797 5.815 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.142 -4.381 7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.293 -6.766 6.729 1.00 0.00 H new ATOM 0 HH TYR A 31 0.418 -7.595 7.563 1.00 0.00 H new ATOM 495 N ASP A 32 1.636 0.267 6.983 1.00 0.00 N ATOM 496 CA ASP A 32 0.722 1.074 7.731 1.00 0.00 C ATOM 497 C ASP A 32 -0.646 0.971 7.079 1.00 0.00 C ATOM 498 O ASP A 32 -0.799 1.252 5.885 1.00 0.00 O ATOM 499 CB ASP A 32 1.202 2.540 7.729 1.00 0.00 C ATOM 500 CG ASP A 32 2.492 2.774 8.506 1.00 0.00 C ATOM 501 OD1 ASP A 32 2.417 3.061 9.730 1.00 0.00 O ATOM 502 OD2 ASP A 32 3.610 2.696 7.907 1.00 0.00 O ATOM 0 H ASP A 32 1.645 0.481 5.986 1.00 0.00 H new ATOM 0 HA ASP A 32 0.668 0.729 8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.348 2.862 6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.418 3.168 8.151 1.00 0.00 H new ATOM 507 N GLU A 33 -1.619 0.550 7.822 1.00 0.00 N ATOM 508 CA GLU A 33 -2.956 0.391 7.298 1.00 0.00 C ATOM 509 C GLU A 33 -3.920 1.349 7.972 1.00 0.00 C ATOM 510 O GLU A 33 -3.937 1.473 9.196 1.00 0.00 O ATOM 511 CB GLU A 33 -3.441 -1.069 7.452 1.00 0.00 C ATOM 512 CG GLU A 33 -3.337 -1.625 8.868 1.00 0.00 C ATOM 513 CD GLU A 33 -3.913 -3.010 9.005 1.00 0.00 C ATOM 514 OE1 GLU A 33 -3.396 -3.949 8.386 1.00 0.00 O ATOM 515 OE2 GLU A 33 -4.927 -3.189 9.724 1.00 0.00 O ATOM 0 H GLU A 33 -1.520 0.305 8.807 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.928 0.629 6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.480 -1.129 7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.860 -1.704 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.289 -1.643 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.854 -0.954 9.554 1.00 0.00 H new ATOM 522 N VAL A 34 -4.664 2.058 7.177 1.00 0.00 N ATOM 523 CA VAL A 34 -5.717 2.903 7.663 1.00 0.00 C ATOM 524 C VAL A 34 -6.957 2.459 6.922 1.00 0.00 C ATOM 525 O VAL A 34 -6.874 2.115 5.737 1.00 0.00 O ATOM 526 CB VAL A 34 -5.424 4.439 7.442 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.348 4.823 5.975 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.434 5.310 8.172 1.00 0.00 C ATOM 0 H VAL A 34 -4.557 2.067 6.163 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.827 2.803 8.743 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.438 4.620 7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.145 5.890 5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.548 4.261 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.297 4.594 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.202 6.361 7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.436 5.094 7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.389 5.101 9.241 1.00 0.00 H new ATOM 538 N ASP A 35 -8.068 2.372 7.578 1.00 0.00 N ATOM 539 CA ASP A 35 -9.220 1.859 6.889 1.00 0.00 C ATOM 540 C ASP A 35 -10.003 2.974 6.233 1.00 0.00 C ATOM 541 O ASP A 35 -10.147 4.075 6.765 1.00 0.00 O ATOM 542 CB ASP A 35 -10.130 1.052 7.820 1.00 0.00 C ATOM 543 CG ASP A 35 -10.837 1.906 8.835 1.00 0.00 C ATOM 544 OD1 ASP A 35 -10.259 2.204 9.898 1.00 0.00 O ATOM 545 OD2 ASP A 35 -11.983 2.291 8.591 1.00 0.00 O ATOM 0 H ASP A 35 -8.208 2.637 8.553 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.852 1.186 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.870 0.519 7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.535 0.299 8.338 1.00 0.00 H new ATOM 550 N ILE A 36 -10.484 2.670 5.068 1.00 0.00 N ATOM 551 CA ILE A 36 -11.326 3.548 4.265 1.00 0.00 C ATOM 552 C ILE A 36 -12.794 3.416 4.674 1.00 0.00 C ATOM 553 O ILE A 36 -13.692 3.980 4.043 1.00 0.00 O ATOM 554 CB ILE A 36 -11.168 3.196 2.780 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.561 1.735 2.577 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.726 3.432 2.366 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.482 1.204 1.173 1.00 0.00 C ATOM 0 H ILE A 36 -10.303 1.772 4.619 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.013 4.578 4.433 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.813 3.823 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.922 1.120 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.583 1.605 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.605 3.184 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.469 4.479 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.068 2.802 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.786 0.157 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.145 1.781 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.458 1.288 0.809 1.00 0.00 H new ATOM 569 N GLU A 37 -13.036 2.649 5.706 1.00 0.00 N ATOM 570 CA GLU A 37 -14.373 2.368 6.104 1.00 0.00 C ATOM 571 C GLU A 37 -14.869 3.496 7.006 1.00 0.00 C ATOM 572 O GLU A 37 -15.994 3.993 6.863 1.00 0.00 O ATOM 573 CB GLU A 37 -14.433 1.022 6.809 1.00 0.00 C ATOM 574 CG GLU A 37 -15.813 0.417 6.824 1.00 0.00 C ATOM 575 CD GLU A 37 -16.318 0.137 5.426 1.00 0.00 C ATOM 576 OE1 GLU A 37 -16.036 -0.938 4.896 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.024 0.986 4.842 1.00 0.00 O ATOM 0 H GLU A 37 -12.316 2.211 6.281 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.022 2.310 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.747 0.332 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.085 1.141 7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.797 -0.510 7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.501 1.094 7.330 1.00 0.00 H new ATOM 584 N HIS A 38 -14.020 3.876 7.933 1.00 0.00 N ATOM 585 CA HIS A 38 -14.251 5.002 8.821 1.00 0.00 C ATOM 586 C HIS A 38 -13.795 6.277 8.124 1.00 0.00 C ATOM 587 O HIS A 38 -14.374 7.353 8.292 1.00 0.00 O ATOM 588 CB HIS A 38 -13.431 4.788 10.113 1.00 0.00 C ATOM 589 CG HIS A 38 -13.460 5.917 11.111 1.00 0.00 C ATOM 590 ND1 HIS A 38 -12.504 6.915 11.172 1.00 0.00 N ATOM 591 CD2 HIS A 38 -14.324 6.171 12.117 1.00 0.00 C ATOM 592 CE1 HIS A 38 -12.806 7.719 12.187 1.00 0.00 C ATOM 593 NE2 HIS A 38 -13.908 7.311 12.802 1.00 0.00 N ATOM 0 H HIS A 38 -13.131 3.404 8.098 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.309 5.084 9.070 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.795 3.886 10.605 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.394 4.603 9.834 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.705 7.017 10.546 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.199 5.584 12.353 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -12.231 8.588 12.472 1.00 0.00 H new ATOM 601 N ASN A 39 -12.751 6.148 7.349 1.00 0.00 N ATOM 602 CA ASN A 39 -12.182 7.277 6.665 1.00 0.00 C ATOM 603 C ASN A 39 -12.732 7.385 5.263 1.00 0.00 C ATOM 604 O ASN A 39 -12.216 6.772 4.322 1.00 0.00 O ATOM 605 CB ASN A 39 -10.639 7.228 6.650 1.00 0.00 C ATOM 606 CG ASN A 39 -9.995 7.392 8.010 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.556 7.025 9.053 1.00 0.00 O ATOM 608 ND2 ASN A 39 -8.804 7.916 8.014 1.00 0.00 N ATOM 0 H ASN A 39 -12.274 5.263 7.175 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.469 8.171 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.322 6.276 6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.269 8.012 5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.302 8.036 8.894 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.372 8.207 7.137 1.00 0.00 H new ATOM 615 N ARG A 40 -13.785 8.159 5.119 1.00 0.00 N ATOM 616 CA ARG A 40 -14.458 8.315 3.843 1.00 0.00 C ATOM 617 C ARG A 40 -13.612 9.149 2.883 1.00 0.00 C ATOM 618 O ARG A 40 -13.676 8.963 1.674 1.00 0.00 O ATOM 619 CB ARG A 40 -15.839 8.945 4.021 1.00 0.00 C ATOM 620 CG ARG A 40 -16.683 8.934 2.751 1.00 0.00 C ATOM 621 CD ARG A 40 -17.999 9.657 2.952 1.00 0.00 C ATOM 622 NE ARG A 40 -17.814 11.091 3.228 1.00 0.00 N ATOM 623 CZ ARG A 40 -18.716 11.873 3.836 1.00 0.00 C ATOM 624 NH1 ARG A 40 -19.855 11.356 4.272 1.00 0.00 N ATOM 625 NH2 ARG A 40 -18.474 13.165 4.015 1.00 0.00 N ATOM 0 H ARG A 40 -14.200 8.698 5.879 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.591 7.322 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.374 8.412 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.719 9.974 4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.128 9.406 1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.875 7.904 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.616 9.538 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.541 9.197 3.779 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.936 11.520 2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.046 10.362 4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.541 11.952 4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.596 13.569 3.689 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.166 13.754 4.479 1.00 0.00 H new ATOM 639 N ALA A 41 -12.791 10.040 3.427 1.00 0.00 N ATOM 640 CA ALA A 41 -11.908 10.854 2.601 1.00 0.00 C ATOM 641 C ALA A 41 -10.862 9.967 1.970 1.00 0.00 C ATOM 642 O ALA A 41 -10.450 10.174 0.831 1.00 0.00 O ATOM 643 CB ALA A 41 -11.244 11.946 3.413 1.00 0.00 C ATOM 0 H ALA A 41 -12.718 10.216 4.429 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.503 11.335 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.592 12.535 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.007 12.593 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.654 11.497 4.212 1.00 0.00 H new ATOM 649 N ALA A 42 -10.464 8.948 2.709 1.00 0.00 N ATOM 650 CA ALA A 42 -9.522 7.990 2.208 1.00 0.00 C ATOM 651 C ALA A 42 -10.193 7.129 1.157 1.00 0.00 C ATOM 652 O ALA A 42 -9.600 6.833 0.138 1.00 0.00 O ATOM 653 CB ALA A 42 -8.951 7.143 3.325 1.00 0.00 C ATOM 0 H ALA A 42 -10.785 8.770 3.661 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.686 8.522 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.241 6.427 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.443 7.785 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.758 6.607 3.824 1.00 0.00 H new ATOM 659 N ALA A 43 -11.456 6.770 1.405 1.00 0.00 N ATOM 660 CA ALA A 43 -12.267 5.982 0.464 1.00 0.00 C ATOM 661 C ALA A 43 -12.456 6.734 -0.852 1.00 0.00 C ATOM 662 O ALA A 43 -12.439 6.141 -1.942 1.00 0.00 O ATOM 663 CB ALA A 43 -13.620 5.674 1.077 1.00 0.00 C ATOM 0 H ALA A 43 -11.948 7.016 2.264 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.742 5.049 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.214 5.090 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.482 5.104 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.138 6.606 1.303 1.00 0.00 H new ATOM 669 N GLU A 44 -12.649 8.031 -0.735 1.00 0.00 N ATOM 670 CA GLU A 44 -12.778 8.922 -1.867 1.00 0.00 C ATOM 671 C GLU A 44 -11.461 8.905 -2.660 1.00 0.00 C ATOM 672 O GLU A 44 -11.451 8.685 -3.880 1.00 0.00 O ATOM 673 CB GLU A 44 -13.102 10.339 -1.347 1.00 0.00 C ATOM 674 CG GLU A 44 -13.393 11.385 -2.410 1.00 0.00 C ATOM 675 CD GLU A 44 -14.568 11.024 -3.282 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.719 10.977 -2.780 1.00 0.00 O ATOM 677 OE2 GLU A 44 -14.376 10.808 -4.482 1.00 0.00 O ATOM 0 H GLU A 44 -12.722 8.503 0.166 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.584 8.604 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.964 10.273 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.262 10.685 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.586 12.343 -1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.510 11.516 -3.035 1.00 0.00 H new ATOM 684 N PHE A 45 -10.365 9.062 -1.932 1.00 0.00 N ATOM 685 CA PHE A 45 -9.023 9.069 -2.491 1.00 0.00 C ATOM 686 C PHE A 45 -8.705 7.743 -3.209 1.00 0.00 C ATOM 687 O PHE A 45 -8.397 7.733 -4.404 1.00 0.00 O ATOM 688 CB PHE A 45 -8.000 9.342 -1.369 1.00 0.00 C ATOM 689 CG PHE A 45 -6.564 9.349 -1.817 1.00 0.00 C ATOM 690 CD1 PHE A 45 -6.026 10.461 -2.440 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.750 8.242 -1.604 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.707 10.476 -2.845 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.431 8.254 -2.009 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.909 9.370 -2.631 1.00 0.00 C ATOM 0 H PHE A 45 -10.385 9.190 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.961 9.863 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.229 10.305 -0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.121 8.586 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.646 11.328 -2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.153 7.366 -1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.300 11.352 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.807 7.389 -1.839 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.877 9.378 -2.950 1.00 0.00 H new ATOM 704 N VAL A 46 -8.818 6.633 -2.488 1.00 0.00 N ATOM 705 CA VAL A 46 -8.508 5.320 -3.044 1.00 0.00 C ATOM 706 C VAL A 46 -9.460 4.949 -4.186 1.00 0.00 C ATOM 707 O VAL A 46 -9.051 4.342 -5.154 1.00 0.00 O ATOM 708 CB VAL A 46 -8.422 4.200 -1.949 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.663 4.088 -1.168 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.122 2.868 -2.530 1.00 0.00 C ATOM 0 H VAL A 46 -9.123 6.616 -1.515 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.508 5.392 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.605 4.505 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.554 3.300 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.865 5.035 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.491 3.846 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.073 2.126 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.908 2.593 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.165 2.905 -3.051 1.00 0.00 H new ATOM 720 N GLY A 47 -10.705 5.390 -4.093 1.00 0.00 N ATOM 721 CA GLY A 47 -11.664 5.141 -5.151 1.00 0.00 C ATOM 722 C GLY A 47 -11.297 5.870 -6.433 1.00 0.00 C ATOM 723 O GLY A 47 -11.606 5.408 -7.535 1.00 0.00 O ATOM 0 H GLY A 47 -11.071 5.918 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.719 4.070 -5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.655 5.457 -4.825 1.00 0.00 H new ATOM 727 N SER A 48 -10.615 6.993 -6.285 1.00 0.00 N ATOM 728 CA SER A 48 -10.196 7.790 -7.408 1.00 0.00 C ATOM 729 C SER A 48 -8.994 7.140 -8.097 1.00 0.00 C ATOM 730 O SER A 48 -8.977 6.968 -9.320 1.00 0.00 O ATOM 731 CB SER A 48 -9.860 9.228 -6.945 1.00 0.00 C ATOM 732 OG SER A 48 -9.529 10.073 -8.039 1.00 0.00 O ATOM 0 H SER A 48 -10.340 7.372 -5.379 1.00 0.00 H new ATOM 0 HA SER A 48 -11.011 7.846 -8.129 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.712 9.645 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.026 9.198 -6.244 1.00 0.00 H new ATOM 0 HG SER A 48 -9.325 10.972 -7.708 1.00 0.00 H new ATOM 738 N VAL A 49 -8.033 6.711 -7.298 1.00 0.00 N ATOM 739 CA VAL A 49 -6.782 6.148 -7.813 1.00 0.00 C ATOM 740 C VAL A 49 -6.885 4.651 -8.084 1.00 0.00 C ATOM 741 O VAL A 49 -5.907 4.007 -8.476 1.00 0.00 O ATOM 742 CB VAL A 49 -5.601 6.417 -6.851 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.365 7.898 -6.730 1.00 0.00 C ATOM 744 CG2 VAL A 49 -5.877 5.834 -5.483 1.00 0.00 C ATOM 0 H VAL A 49 -8.090 6.739 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.594 6.653 -8.761 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.711 5.938 -7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.532 8.079 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.130 8.310 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.262 8.379 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.032 6.036 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.777 6.288 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.021 4.757 -5.569 1.00 0.00 H new ATOM 754 N ASN A 50 -8.048 4.107 -7.887 1.00 0.00 N ATOM 755 CA ASN A 50 -8.290 2.693 -8.106 1.00 0.00 C ATOM 756 C ASN A 50 -8.534 2.432 -9.580 1.00 0.00 C ATOM 757 O ASN A 50 -8.376 3.330 -10.429 1.00 0.00 O ATOM 758 CB ASN A 50 -9.528 2.226 -7.335 1.00 0.00 C ATOM 759 CG ASN A 50 -9.236 1.138 -6.338 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.033 0.226 -6.135 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.152 1.242 -5.668 1.00 0.00 N ATOM 0 H ASN A 50 -8.867 4.625 -7.568 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.412 2.149 -7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.965 3.078 -6.814 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.275 1.868 -8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.932 0.557 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.507 2.009 -5.857 1.00 0.00 H new ATOM 768 N GLY A 51 -8.918 1.221 -9.893 1.00 0.00 N ATOM 769 CA GLY A 51 -9.265 0.881 -11.240 1.00 0.00 C ATOM 770 C GLY A 51 -10.746 1.092 -11.473 1.00 0.00 C ATOM 771 O GLY A 51 -11.492 0.140 -11.692 1.00 0.00 O ATOM 0 H GLY A 51 -8.997 0.453 -9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.690 1.492 -11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.004 -0.158 -11.438 1.00 0.00 H new ATOM 775 N GLY A 52 -11.176 2.331 -11.378 1.00 0.00 N ATOM 776 CA GLY A 52 -12.563 2.650 -11.582 1.00 0.00 C ATOM 777 C GLY A 52 -13.227 3.133 -10.314 1.00 0.00 C ATOM 778 O GLY A 52 -13.482 4.321 -10.157 1.00 0.00 O ATOM 0 H GLY A 52 -10.581 3.131 -11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.649 3.418 -12.351 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.087 1.769 -11.952 1.00 0.00 H new ATOM 782 N ASN A 53 -13.479 2.226 -9.416 1.00 0.00 N ATOM 783 CA ASN A 53 -14.140 2.520 -8.143 1.00 0.00 C ATOM 784 C ASN A 53 -13.341 1.758 -7.104 1.00 0.00 C ATOM 785 O ASN A 53 -12.510 0.939 -7.495 1.00 0.00 O ATOM 786 CB ASN A 53 -15.599 1.998 -8.187 1.00 0.00 C ATOM 787 CG ASN A 53 -16.525 2.557 -7.100 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.096 2.947 -6.016 1.00 0.00 O ATOM 789 ND2 ASN A 53 -17.800 2.598 -7.385 1.00 0.00 N ATOM 0 H ASN A 53 -13.234 1.243 -9.533 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.178 3.587 -7.925 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.024 2.236 -9.162 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.582 0.911 -8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.464 2.960 -6.701 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -18.131 2.268 -8.292 1.00 0.00 H new ATOM 796 N ARG A 54 -13.566 1.985 -5.814 1.00 0.00 N ATOM 797 CA ARG A 54 -12.782 1.280 -4.807 1.00 0.00 C ATOM 798 C ARG A 54 -13.170 -0.200 -4.754 1.00 0.00 C ATOM 799 O ARG A 54 -14.268 -0.569 -4.331 1.00 0.00 O ATOM 800 CB ARG A 54 -12.782 1.944 -3.387 1.00 0.00 C ATOM 801 CG ARG A 54 -14.081 1.901 -2.565 1.00 0.00 C ATOM 802 CD ARG A 54 -15.150 2.865 -3.047 1.00 0.00 C ATOM 803 NE ARG A 54 -16.374 2.730 -2.244 1.00 0.00 N ATOM 804 CZ ARG A 54 -17.346 3.645 -2.120 1.00 0.00 C ATOM 805 NH1 ARG A 54 -17.229 4.853 -2.684 1.00 0.00 N ATOM 806 NH2 ARG A 54 -18.416 3.358 -1.393 1.00 0.00 N ATOM 0 H ARG A 54 -14.264 2.633 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.745 1.358 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.999 1.468 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.499 2.990 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.482 0.888 -2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.848 2.125 -1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.779 3.888 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.374 2.672 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.495 1.856 -1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.392 5.088 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.977 5.539 -2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.493 2.450 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.163 4.046 -1.291 1.00 0.00 H new ATOM 820 N THR A 55 -12.297 -1.013 -5.257 1.00 0.00 N ATOM 821 CA THR A 55 -12.497 -2.432 -5.326 1.00 0.00 C ATOM 822 C THR A 55 -11.194 -3.168 -4.947 1.00 0.00 C ATOM 823 O THR A 55 -11.220 -4.314 -4.483 1.00 0.00 O ATOM 824 CB THR A 55 -12.990 -2.831 -6.770 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.235 -4.244 -6.890 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.000 -2.391 -7.851 1.00 0.00 C ATOM 0 H THR A 55 -11.404 -0.705 -5.641 1.00 0.00 H new ATOM 0 HA THR A 55 -13.266 -2.729 -4.613 1.00 0.00 H new ATOM 0 HB THR A 55 -13.932 -2.304 -6.920 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.540 -4.447 -7.799 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.377 -2.685 -8.831 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.882 -1.308 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.035 -2.867 -7.676 1.00 0.00 H new ATOM 834 N VAL A 56 -10.071 -2.483 -5.100 1.00 0.00 N ATOM 835 CA VAL A 56 -8.767 -3.049 -4.823 1.00 0.00 C ATOM 836 C VAL A 56 -7.967 -2.142 -3.890 1.00 0.00 C ATOM 837 O VAL A 56 -8.212 -0.935 -3.840 1.00 0.00 O ATOM 838 CB VAL A 56 -7.945 -3.309 -6.127 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.496 -4.496 -6.896 1.00 0.00 C ATOM 840 CG2 VAL A 56 -7.946 -2.088 -7.024 1.00 0.00 C ATOM 0 H VAL A 56 -10.042 -1.515 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.942 -4.009 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.921 -3.528 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.904 -4.652 -7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.448 -5.388 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.532 -4.301 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.367 -2.297 -7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.971 -1.841 -7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.501 -1.246 -6.493 1.00 0.00 H new ATOM 850 N PRO A 57 -7.011 -2.711 -3.135 1.00 0.00 N ATOM 851 CA PRO A 57 -6.160 -1.944 -2.239 1.00 0.00 C ATOM 852 C PRO A 57 -5.220 -1.033 -3.014 1.00 0.00 C ATOM 853 O PRO A 57 -4.795 -1.350 -4.136 1.00 0.00 O ATOM 854 CB PRO A 57 -5.350 -3.018 -1.493 1.00 0.00 C ATOM 855 CG PRO A 57 -5.369 -4.193 -2.393 1.00 0.00 C ATOM 856 CD PRO A 57 -6.687 -4.142 -3.100 1.00 0.00 C ATOM 0 HA PRO A 57 -6.737 -1.297 -1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.331 -2.683 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.797 -3.252 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.543 -4.156 -3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.263 -5.120 -1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.619 -4.561 -4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.449 -4.712 -2.568 1.00 0.00 H new ATOM 864 N THR A 58 -4.950 0.098 -2.464 1.00 0.00 N ATOM 865 CA THR A 58 -4.023 1.009 -3.047 1.00 0.00 C ATOM 866 C THR A 58 -3.025 1.406 -1.982 1.00 0.00 C ATOM 867 O THR A 58 -3.384 1.493 -0.802 1.00 0.00 O ATOM 868 CB THR A 58 -4.757 2.246 -3.573 1.00 0.00 C ATOM 869 OG1 THR A 58 -5.800 1.789 -4.412 1.00 0.00 O ATOM 870 CG2 THR A 58 -3.846 3.120 -4.406 1.00 0.00 C ATOM 0 H THR A 58 -5.367 0.422 -1.591 1.00 0.00 H new ATOM 0 HA THR A 58 -3.510 0.539 -3.887 1.00 0.00 H new ATOM 0 HB THR A 58 -5.121 2.830 -2.728 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.524 1.866 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.401 3.988 -4.762 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.004 3.452 -3.798 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.476 2.551 -5.259 1.00 0.00 H new ATOM 878 N VAL A 59 -1.796 1.582 -2.366 1.00 0.00 N ATOM 879 CA VAL A 59 -0.776 1.979 -1.438 1.00 0.00 C ATOM 880 C VAL A 59 -0.319 3.385 -1.729 1.00 0.00 C ATOM 881 O VAL A 59 -0.146 3.755 -2.890 1.00 0.00 O ATOM 882 CB VAL A 59 0.456 1.022 -1.468 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.055 -0.365 -1.067 1.00 0.00 C ATOM 884 CG2 VAL A 59 1.106 0.987 -2.841 1.00 0.00 C ATOM 0 H VAL A 59 -1.472 1.456 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.218 1.929 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 59 1.184 1.410 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.927 -1.018 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.354 -0.348 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.700 -0.740 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.960 0.310 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.382 0.638 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.443 1.988 -3.110 1.00 0.00 H new ATOM 894 N LYS A 60 -0.204 4.176 -0.710 1.00 0.00 N ATOM 895 CA LYS A 60 0.397 5.468 -0.842 1.00 0.00 C ATOM 896 C LYS A 60 1.681 5.406 -0.090 1.00 0.00 C ATOM 897 O LYS A 60 1.671 5.152 1.114 1.00 0.00 O ATOM 898 CB LYS A 60 -0.450 6.580 -0.230 1.00 0.00 C ATOM 899 CG LYS A 60 0.094 7.976 -0.545 1.00 0.00 C ATOM 900 CD LYS A 60 -0.546 9.061 0.307 1.00 0.00 C ATOM 901 CE LYS A 60 -0.068 8.995 1.759 1.00 0.00 C ATOM 902 NZ LYS A 60 1.393 9.264 1.890 1.00 0.00 N ATOM 0 H LYS A 60 -0.521 3.948 0.232 1.00 0.00 H new ATOM 0 HA LYS A 60 0.517 5.697 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.472 6.500 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.493 6.446 0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.173 7.985 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.077 8.199 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.308 10.039 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.630 8.956 0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.623 9.720 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.291 8.009 2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.637 9.376 2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.930 8.468 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.633 10.136 1.377 1.00 0.00 H new ATOM 916 N PHE A 61 2.763 5.602 -0.749 1.00 0.00 N ATOM 917 CA PHE A 61 4.030 5.567 -0.075 1.00 0.00 C ATOM 918 C PHE A 61 4.277 6.887 0.633 1.00 0.00 C ATOM 919 O PHE A 61 3.450 7.829 0.542 1.00 0.00 O ATOM 920 CB PHE A 61 5.156 5.271 -1.047 1.00 0.00 C ATOM 921 CG PHE A 61 5.074 3.940 -1.715 1.00 0.00 C ATOM 922 CD1 PHE A 61 4.322 3.782 -2.860 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.762 2.846 -1.207 1.00 0.00 C ATOM 924 CE1 PHE A 61 4.250 2.572 -3.489 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.696 1.627 -1.840 1.00 0.00 C ATOM 926 CZ PHE A 61 4.938 1.490 -2.983 1.00 0.00 C ATOM 0 H PHE A 61 2.809 5.788 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 61 4.004 4.766 0.664 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.168 6.046 -1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.104 5.336 -0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.783 4.626 -3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.353 2.953 -0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.654 2.463 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.236 0.780 -1.443 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.883 0.534 -3.483 1.00 0.00 H new ATOM 936 N ALA A 62 5.399 6.977 1.318 1.00 0.00 N ATOM 937 CA ALA A 62 5.781 8.190 2.033 1.00 0.00 C ATOM 938 C ALA A 62 6.123 9.326 1.061 1.00 0.00 C ATOM 939 O ALA A 62 6.271 10.481 1.464 1.00 0.00 O ATOM 940 CB ALA A 62 6.954 7.911 2.963 1.00 0.00 C ATOM 0 H ALA A 62 6.074 6.216 1.398 1.00 0.00 H new ATOM 0 HA ALA A 62 4.928 8.510 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.227 8.826 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.671 7.147 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.805 7.560 2.380 1.00 0.00 H new ATOM 946 N ASP A 63 6.237 8.988 -0.211 1.00 0.00 N ATOM 947 CA ASP A 63 6.527 9.963 -1.248 1.00 0.00 C ATOM 948 C ASP A 63 5.221 10.564 -1.774 1.00 0.00 C ATOM 949 O ASP A 63 5.212 11.640 -2.372 1.00 0.00 O ATOM 950 CB ASP A 63 7.339 9.327 -2.412 1.00 0.00 C ATOM 951 CG ASP A 63 6.573 8.287 -3.233 1.00 0.00 C ATOM 952 OD1 ASP A 63 5.553 7.758 -2.759 1.00 0.00 O ATOM 953 OD2 ASP A 63 7.001 7.976 -4.363 1.00 0.00 O ATOM 0 H ASP A 63 6.132 8.033 -0.554 1.00 0.00 H new ATOM 0 HA ASP A 63 7.138 10.754 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.675 10.121 -3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.233 8.858 -2.000 1.00 0.00 H new ATOM 958 N GLY A 64 4.123 9.876 -1.518 1.00 0.00 N ATOM 959 CA GLY A 64 2.827 10.346 -1.937 1.00 0.00 C ATOM 960 C GLY A 64 2.319 9.649 -3.184 1.00 0.00 C ATOM 961 O GLY A 64 1.191 9.902 -3.631 1.00 0.00 O ATOM 0 H GLY A 64 4.110 8.986 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.113 10.196 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.878 11.419 -2.122 1.00 0.00 H new ATOM 965 N SER A 65 3.112 8.757 -3.729 1.00 0.00 N ATOM 966 CA SER A 65 2.741 8.083 -4.936 1.00 0.00 C ATOM 967 C SER A 65 1.860 6.884 -4.598 1.00 0.00 C ATOM 968 O SER A 65 2.033 6.244 -3.542 1.00 0.00 O ATOM 969 CB SER A 65 3.994 7.651 -5.699 1.00 0.00 C ATOM 970 OG SER A 65 3.678 7.176 -6.998 1.00 0.00 O ATOM 0 H SER A 65 4.019 8.485 -3.350 1.00 0.00 H new ATOM 0 HA SER A 65 2.174 8.759 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.682 8.493 -5.776 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.509 6.869 -5.141 1.00 0.00 H new ATOM 0 HG SER A 65 4.501 6.910 -7.458 1.00 0.00 H new ATOM 976 N THR A 66 0.903 6.613 -5.458 1.00 0.00 N ATOM 977 CA THR A 66 -0.014 5.528 -5.273 1.00 0.00 C ATOM 978 C THR A 66 0.113 4.489 -6.375 1.00 0.00 C ATOM 979 O THR A 66 0.294 4.839 -7.552 1.00 0.00 O ATOM 980 CB THR A 66 -1.457 6.070 -5.250 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.577 7.175 -6.178 1.00 0.00 O ATOM 982 CG2 THR A 66 -1.860 6.514 -3.864 1.00 0.00 C ATOM 0 H THR A 66 0.744 7.149 -6.311 1.00 0.00 H new ATOM 0 HA THR A 66 0.226 5.047 -4.325 1.00 0.00 H new ATOM 0 HB THR A 66 -2.127 5.264 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.363 7.713 -5.946 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.883 6.890 -3.885 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.799 5.668 -3.179 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.190 7.304 -3.526 1.00 0.00 H new ATOM 990 N LEU A 67 0.010 3.236 -6.003 1.00 0.00 N ATOM 991 CA LEU A 67 -0.006 2.138 -6.953 1.00 0.00 C ATOM 992 C LEU A 67 -1.178 1.239 -6.616 1.00 0.00 C ATOM 993 O LEU A 67 -1.478 1.016 -5.426 1.00 0.00 O ATOM 994 CB LEU A 67 1.300 1.297 -6.935 1.00 0.00 C ATOM 995 CG LEU A 67 2.628 1.999 -7.270 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.770 0.988 -7.255 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.563 2.681 -8.628 1.00 0.00 C ATOM 0 H LEU A 67 -0.066 2.943 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.094 2.564 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.398 0.858 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.174 0.473 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 67 2.807 2.762 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.706 1.493 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.843 0.536 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.578 0.211 -7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.516 3.168 -8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.359 1.938 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.768 3.426 -8.623 1.00 0.00 H new ATOM 1009 N THR A 68 -1.836 0.750 -7.630 1.00 0.00 N ATOM 1010 CA THR A 68 -2.962 -0.132 -7.485 1.00 0.00 C ATOM 1011 C THR A 68 -2.423 -1.539 -7.154 1.00 0.00 C ATOM 1012 O THR A 68 -1.347 -1.887 -7.651 1.00 0.00 O ATOM 1013 CB THR A 68 -3.722 -0.145 -8.817 1.00 0.00 C ATOM 1014 OG1 THR A 68 -3.889 1.216 -9.228 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.094 -0.763 -8.655 1.00 0.00 C ATOM 0 H THR A 68 -1.600 0.957 -8.600 1.00 0.00 H new ATOM 0 HA THR A 68 -3.633 0.192 -6.690 1.00 0.00 H new ATOM 0 HB THR A 68 -3.162 -0.729 -9.547 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.372 1.243 -10.080 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.610 -0.759 -9.615 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.991 -1.789 -8.302 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.670 -0.186 -7.931 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.197 -2.318 -6.345 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.821 -3.666 -5.763 1.00 0.00 C ATOM 1025 C ASN A 69 -1.489 -4.258 -6.228 1.00 0.00 C ATOM 1026 O ASN A 69 -1.423 -5.054 -7.170 1.00 0.00 O ATOM 1027 CB ASN A 69 -3.955 -4.727 -5.879 1.00 0.00 C ATOM 1028 CG ASN A 69 -4.443 -5.025 -7.308 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -4.442 -4.161 -8.187 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -4.864 -6.249 -7.546 1.00 0.00 N ATOM 0 H ASN A 69 -4.133 -2.026 -6.063 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.675 -3.419 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.605 -5.658 -5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.806 -4.390 -5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.200 -6.501 -8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.854 -6.946 -6.801 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.408 -3.823 -5.582 1.00 0.00 N ATOM 1038 CA PRO A 70 0.922 -4.286 -5.859 1.00 0.00 C ATOM 1039 C PRO A 70 1.376 -5.361 -4.877 1.00 0.00 C ATOM 1040 O PRO A 70 1.105 -5.291 -3.674 1.00 0.00 O ATOM 1041 CB PRO A 70 1.750 -3.011 -5.682 1.00 0.00 C ATOM 1042 CG PRO A 70 0.946 -2.131 -4.751 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.392 -2.788 -4.545 1.00 0.00 C ATOM 0 HA PRO A 70 1.013 -4.751 -6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.730 -3.235 -5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.920 -2.518 -6.639 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.463 -2.008 -3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.822 -1.135 -5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.484 -3.215 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.213 -2.081 -4.666 1.00 0.00 H new ATOM 1051 N SER A 71 2.047 -6.354 -5.387 1.00 0.00 N ATOM 1052 CA SER A 71 2.577 -7.397 -4.568 1.00 0.00 C ATOM 1053 C SER A 71 3.776 -6.861 -3.756 1.00 0.00 C ATOM 1054 O SER A 71 4.240 -5.721 -3.973 1.00 0.00 O ATOM 1055 CB SER A 71 2.959 -8.613 -5.437 1.00 0.00 C ATOM 1056 OG SER A 71 3.394 -9.719 -4.656 1.00 0.00 O ATOM 0 H SER A 71 2.240 -6.460 -6.383 1.00 0.00 H new ATOM 0 HA SER A 71 1.820 -7.732 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.100 -8.911 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.750 -8.327 -6.130 1.00 0.00 H new ATOM 0 HG SER A 71 3.624 -10.466 -5.247 1.00 0.00 H new ATOM 1062 N ALA A 72 4.288 -7.689 -2.877 1.00 0.00 N ATOM 1063 CA ALA A 72 5.326 -7.326 -1.939 1.00 0.00 C ATOM 1064 C ALA A 72 6.572 -6.768 -2.611 1.00 0.00 C ATOM 1065 O ALA A 72 7.063 -5.724 -2.224 1.00 0.00 O ATOM 1066 CB ALA A 72 5.660 -8.511 -1.065 1.00 0.00 C ATOM 0 H ALA A 72 3.987 -8.660 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 72 4.937 -6.517 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.443 -8.233 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.770 -8.821 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.008 -9.335 -1.687 1.00 0.00 H new ATOM 1072 N ASP A 73 7.050 -7.418 -3.637 1.00 0.00 N ATOM 1073 CA ASP A 73 8.283 -6.960 -4.284 1.00 0.00 C ATOM 1074 C ASP A 73 8.059 -5.751 -5.155 1.00 0.00 C ATOM 1075 O ASP A 73 8.989 -5.000 -5.434 1.00 0.00 O ATOM 1076 CB ASP A 73 8.996 -8.068 -5.042 1.00 0.00 C ATOM 1077 CG ASP A 73 9.540 -9.144 -4.132 1.00 0.00 C ATOM 1078 OD1 ASP A 73 10.662 -8.975 -3.569 1.00 0.00 O ATOM 1079 OD2 ASP A 73 8.873 -10.186 -3.972 1.00 0.00 O ATOM 0 H ASP A 73 6.627 -8.250 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 73 8.946 -6.655 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.305 -8.517 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.815 -7.638 -5.619 1.00 0.00 H new ATOM 1084 N GLU A 74 6.818 -5.535 -5.534 1.00 0.00 N ATOM 1085 CA GLU A 74 6.456 -4.395 -6.348 1.00 0.00 C ATOM 1086 C GLU A 74 6.562 -3.138 -5.490 1.00 0.00 C ATOM 1087 O GLU A 74 7.117 -2.127 -5.907 1.00 0.00 O ATOM 1088 CB GLU A 74 5.026 -4.550 -6.866 1.00 0.00 C ATOM 1089 CG GLU A 74 4.762 -5.853 -7.599 1.00 0.00 C ATOM 1090 CD GLU A 74 5.550 -6.005 -8.870 1.00 0.00 C ATOM 1091 OE1 GLU A 74 6.696 -6.500 -8.824 1.00 0.00 O ATOM 1092 OE2 GLU A 74 5.018 -5.663 -9.955 1.00 0.00 O ATOM 0 H GLU A 74 6.035 -6.141 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 74 7.127 -4.324 -7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.338 -4.475 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.803 -3.719 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.996 -6.686 -6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.699 -5.919 -7.831 1.00 0.00 H new ATOM 1099 N VAL A 75 6.054 -3.225 -4.269 1.00 0.00 N ATOM 1100 CA VAL A 75 6.132 -2.107 -3.349 1.00 0.00 C ATOM 1101 C VAL A 75 7.545 -1.920 -2.802 1.00 0.00 C ATOM 1102 O VAL A 75 7.994 -0.782 -2.604 1.00 0.00 O ATOM 1103 CB VAL A 75 5.100 -2.165 -2.189 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.704 -1.930 -2.702 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.126 -3.489 -1.474 1.00 0.00 C ATOM 0 H VAL A 75 5.588 -4.053 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 75 5.868 -1.235 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 75 5.381 -1.379 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.999 -1.975 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.649 -0.948 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.452 -2.697 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.389 -3.484 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.890 -4.287 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.118 -3.656 -1.054 1.00 0.00 H new ATOM 1115 N LYS A 76 8.255 -3.037 -2.596 1.00 0.00 N ATOM 1116 CA LYS A 76 9.648 -3.014 -2.129 1.00 0.00 C ATOM 1117 C LYS A 76 10.523 -2.199 -3.057 1.00 0.00 C ATOM 1118 O LYS A 76 11.403 -1.479 -2.596 1.00 0.00 O ATOM 1119 CB LYS A 76 10.214 -4.431 -1.994 1.00 0.00 C ATOM 1120 CG LYS A 76 9.679 -5.209 -0.802 1.00 0.00 C ATOM 1121 CD LYS A 76 10.032 -6.698 -0.873 1.00 0.00 C ATOM 1122 CE LYS A 76 11.518 -6.941 -0.924 1.00 0.00 C ATOM 1123 NZ LYS A 76 11.825 -8.369 -1.097 1.00 0.00 N ATOM 0 H LYS A 76 7.884 -3.975 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 76 9.649 -2.544 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.991 -4.987 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.299 -4.370 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.084 -4.785 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.596 -5.097 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.614 -7.208 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.566 -7.136 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.953 -6.372 -1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.979 -6.577 -0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.847 -8.489 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.536 -8.892 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.309 -8.738 -1.921 1.00 0.00 H new ATOM 1137 N ALA A 77 10.237 -2.284 -4.354 1.00 0.00 N ATOM 1138 CA ALA A 77 10.975 -1.555 -5.378 1.00 0.00 C ATOM 1139 C ALA A 77 10.975 -0.046 -5.108 1.00 0.00 C ATOM 1140 O ALA A 77 11.988 0.629 -5.292 1.00 0.00 O ATOM 1141 CB ALA A 77 10.396 -1.851 -6.751 1.00 0.00 C ATOM 0 H ALA A 77 9.483 -2.863 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 77 12.011 -1.893 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.955 -1.301 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.467 -2.920 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.350 -1.545 -6.779 1.00 0.00 H new ATOM 1147 N LYS A 78 9.852 0.488 -4.677 1.00 0.00 N ATOM 1148 CA LYS A 78 9.792 1.897 -4.347 1.00 0.00 C ATOM 1149 C LYS A 78 10.277 2.161 -2.935 1.00 0.00 C ATOM 1150 O LYS A 78 11.039 3.107 -2.694 1.00 0.00 O ATOM 1151 CB LYS A 78 8.399 2.491 -4.571 1.00 0.00 C ATOM 1152 CG LYS A 78 8.109 2.804 -6.036 1.00 0.00 C ATOM 1153 CD LYS A 78 6.740 3.446 -6.239 1.00 0.00 C ATOM 1154 CE LYS A 78 6.554 4.762 -5.453 1.00 0.00 C ATOM 1155 NZ LYS A 78 7.525 5.820 -5.817 1.00 0.00 N ATOM 0 H LYS A 78 8.979 -0.023 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 78 10.469 2.404 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.649 1.793 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.302 3.405 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.880 3.472 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.165 1.884 -6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.594 3.643 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.968 2.739 -5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.544 5.135 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.642 4.553 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.229 6.723 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.468 5.563 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.560 5.918 -6.852 1.00 0.00 H new ATOM 1169 N LEU A 79 9.890 1.287 -2.021 1.00 0.00 N ATOM 1170 CA LEU A 79 10.208 1.426 -0.601 1.00 0.00 C ATOM 1171 C LEU A 79 11.729 1.440 -0.350 1.00 0.00 C ATOM 1172 O LEU A 79 12.220 2.223 0.477 1.00 0.00 O ATOM 1173 CB LEU A 79 9.525 0.305 0.203 1.00 0.00 C ATOM 1174 CG LEU A 79 9.657 0.369 1.734 1.00 0.00 C ATOM 1175 CD1 LEU A 79 9.020 1.636 2.283 1.00 0.00 C ATOM 1176 CD2 LEU A 79 9.029 -0.858 2.375 1.00 0.00 C ATOM 0 H LEU A 79 9.343 0.454 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 79 9.824 2.388 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.464 0.306 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.930 -0.649 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 79 10.719 0.387 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.127 1.657 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.514 2.507 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.962 1.653 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.132 -0.795 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.972 -0.905 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.532 -1.755 2.014 1.00 0.00 H new ATOM 1188 N VAL A 80 12.468 0.620 -1.096 1.00 0.00 N ATOM 1189 CA VAL A 80 13.925 0.541 -0.959 1.00 0.00 C ATOM 1190 C VAL A 80 14.585 1.898 -1.317 1.00 0.00 C ATOM 1191 O VAL A 80 15.604 2.306 -0.720 1.00 0.00 O ATOM 1192 CB VAL A 80 14.527 -0.627 -1.832 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.362 -0.399 -3.328 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.977 -0.894 -1.491 1.00 0.00 C ATOM 0 H VAL A 80 12.081 -0.003 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 80 14.147 0.317 0.084 1.00 0.00 H new ATOM 0 HB VAL A 80 13.946 -1.513 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.796 -1.237 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.302 -0.319 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.870 0.522 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.354 -1.705 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.565 0.006 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.058 -1.175 -0.441 1.00 0.00 H new ATOM 1204 N LYS A 81 13.975 2.603 -2.256 1.00 0.00 N ATOM 1205 CA LYS A 81 14.465 3.894 -2.695 1.00 0.00 C ATOM 1206 C LYS A 81 14.025 5.008 -1.749 1.00 0.00 C ATOM 1207 O LYS A 81 14.733 5.984 -1.557 1.00 0.00 O ATOM 1208 CB LYS A 81 14.048 4.171 -4.144 1.00 0.00 C ATOM 1209 CG LYS A 81 14.637 3.157 -5.126 1.00 0.00 C ATOM 1210 CD LYS A 81 14.207 3.364 -6.587 1.00 0.00 C ATOM 1211 CE LYS A 81 14.816 4.601 -7.268 1.00 0.00 C ATOM 1212 NZ LYS A 81 14.272 5.883 -6.773 1.00 0.00 N ATOM 0 H LYS A 81 13.128 2.295 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 81 15.554 3.870 -2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.961 4.152 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.369 5.174 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.725 3.205 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.345 2.155 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.481 2.479 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.121 3.444 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.895 4.593 -7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.644 4.535 -8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.077 6.512 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.390 5.707 -6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.965 6.334 -6.142 1.00 0.00 H new ATOM 1226 N ILE A 82 12.868 4.849 -1.138 1.00 0.00 N ATOM 1227 CA ILE A 82 12.373 5.845 -0.182 1.00 0.00 C ATOM 1228 C ILE A 82 13.221 5.811 1.089 1.00 0.00 C ATOM 1229 O ILE A 82 13.521 6.850 1.690 1.00 0.00 O ATOM 1230 CB ILE A 82 10.877 5.622 0.153 1.00 0.00 C ATOM 1231 CG1 ILE A 82 10.044 5.742 -1.122 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.385 6.618 1.211 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.579 5.469 -0.930 1.00 0.00 C ATOM 0 H ILE A 82 12.250 4.050 -1.278 1.00 0.00 H new ATOM 0 HA ILE A 82 12.458 6.829 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 82 10.762 4.621 0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.165 6.746 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.437 5.048 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.332 6.434 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.966 6.494 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.507 7.635 0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.061 5.576 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.444 4.454 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.168 6.179 -0.212 1.00 0.00 H new ATOM 1245 N ALA A 83 13.639 4.612 1.468 1.00 0.00 N ATOM 1246 CA ALA A 83 14.507 4.430 2.621 1.00 0.00 C ATOM 1247 C ALA A 83 15.916 4.940 2.307 1.00 0.00 C ATOM 1248 O ALA A 83 16.721 5.186 3.212 1.00 0.00 O ATOM 1249 CB ALA A 83 14.543 2.962 3.028 1.00 0.00 C ATOM 0 H ALA A 83 13.389 3.746 0.990 1.00 0.00 H new ATOM 0 HA ALA A 83 14.110 5.007 3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.196 2.840 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.537 2.631 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.922 2.364 2.199 1.00 0.00 H new ATOM 1255 N GLY A 84 16.197 5.077 1.014 1.00 0.00 N ATOM 1256 CA GLY A 84 17.465 5.593 0.547 1.00 0.00 C ATOM 1257 C GLY A 84 18.584 4.608 0.710 1.00 0.00 C ATOM 1258 O GLY A 84 19.756 4.980 0.680 1.00 0.00 O ATOM 0 H GLY A 84 15.548 4.831 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.377 5.866 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.706 6.505 1.094 1.00 0.00 H new ATOM 1262 N LEU A 85 18.230 3.352 0.868 1.00 0.00 N ATOM 1263 CA LEU A 85 19.216 2.320 1.105 1.00 0.00 C ATOM 1264 C LEU A 85 19.882 1.896 -0.188 1.00 0.00 C ATOM 1265 O LEU A 85 21.083 1.694 -0.221 1.00 0.00 O ATOM 1266 CB LEU A 85 18.605 1.121 1.838 1.00 0.00 C ATOM 1267 CG LEU A 85 18.047 1.389 3.242 1.00 0.00 C ATOM 1268 CD1 LEU A 85 17.409 0.131 3.804 1.00 0.00 C ATOM 1269 CD2 LEU A 85 19.143 1.879 4.179 1.00 0.00 C ATOM 0 H LEU A 85 17.266 3.020 0.837 1.00 0.00 H new ATOM 0 HA LEU A 85 19.986 2.739 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.801 0.718 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.366 0.345 1.916 1.00 0.00 H new ATOM 0 HG LEU A 85 17.289 2.168 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 85 17.017 0.336 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 85 16.595 -0.186 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.156 -0.661 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 85 18.722 2.062 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 85 19.925 1.123 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.568 2.804 3.789 1.00 0.00 H new ATOM 1281 N GLU A 86 19.111 1.771 -1.251 1.00 0.00 N ATOM 1282 CA GLU A 86 19.695 1.422 -2.540 1.00 0.00 C ATOM 1283 C GLU A 86 20.086 2.693 -3.269 1.00 0.00 C ATOM 1284 O GLU A 86 21.212 2.838 -3.766 1.00 0.00 O ATOM 1285 CB GLU A 86 18.722 0.591 -3.392 1.00 0.00 C ATOM 1286 CG GLU A 86 19.279 0.194 -4.758 1.00 0.00 C ATOM 1287 CD GLU A 86 18.362 -0.717 -5.537 1.00 0.00 C ATOM 1288 OE1 GLU A 86 18.468 -1.951 -5.372 1.00 0.00 O ATOM 1289 OE2 GLU A 86 17.550 -0.229 -6.355 1.00 0.00 O ATOM 0 H GLU A 86 18.099 1.902 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 86 20.580 0.809 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.454 -0.312 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.804 1.160 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.466 1.095 -5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.240 -0.301 -4.620 1.00 0.00 H new ATOM 1296 N HIS A 87 19.161 3.619 -3.293 1.00 0.00 N ATOM 1297 CA HIS A 87 19.321 4.884 -3.947 1.00 0.00 C ATOM 1298 C HIS A 87 18.148 5.720 -3.486 1.00 0.00 C ATOM 1299 O HIS A 87 17.244 5.176 -2.855 1.00 0.00 O ATOM 1300 CB HIS A 87 19.290 4.690 -5.489 1.00 0.00 C ATOM 1301 CG HIS A 87 19.766 5.876 -6.291 1.00 0.00 C ATOM 1302 ND1 HIS A 87 19.103 6.983 -6.694 1.00 0.00 N flip ATOM 1303 CD2 HIS A 87 21.045 6.006 -6.772 1.00 0.00 C flip ATOM 1304 CE1 HIS A 87 19.963 7.799 -7.417 1.00 0.00 C flip ATOM 1305 NE2 HIS A 87 21.128 7.160 -7.434 1.00 0.00 N flip ATOM 0 H HIS A 87 18.252 3.506 -2.844 1.00 0.00 H new ATOM 0 HA HIS A 87 20.271 5.360 -3.705 1.00 0.00 H new ATOM 0 HB2 HIS A 87 19.906 3.827 -5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 87 18.269 4.453 -5.790 1.00 0.00 H new ATOM 0 HD2 HIS A 87 21.847 5.295 -6.637 1.00 0.00 H new ATOM 0 HE1 HIS A 87 19.733 8.752 -7.870 1.00 0.00 H new ATOM 0 HE2 HIS A 87 21.971 7.506 -7.892 1.00 0.00 H new ATOM 1313 N HIS A 88 18.170 6.992 -3.759 1.00 0.00 N ATOM 1314 CA HIS A 88 17.089 7.872 -3.400 1.00 0.00 C ATOM 1315 C HIS A 88 16.206 8.069 -4.619 1.00 0.00 C ATOM 1316 O HIS A 88 16.519 8.937 -5.467 1.00 0.00 O ATOM 1317 CB HIS A 88 17.621 9.226 -2.906 1.00 0.00 C ATOM 1318 CG HIS A 88 18.547 9.132 -1.728 1.00 0.00 C ATOM 1319 ND1 HIS A 88 19.910 9.350 -1.796 1.00 0.00 N ATOM 1320 CD2 HIS A 88 18.280 8.847 -0.432 1.00 0.00 C ATOM 1321 CE1 HIS A 88 20.420 9.195 -0.571 1.00 0.00 C ATOM 1322 NE2 HIS A 88 19.467 8.888 0.304 1.00 0.00 N ATOM 0 H HIS A 88 18.942 7.454 -4.240 1.00 0.00 H new ATOM 0 HA HIS A 88 16.515 7.427 -2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.143 9.719 -3.726 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.776 9.860 -2.639 1.00 0.00 H new ATOM 0 HD2 HIS A 88 17.303 8.623 -0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 88 21.466 9.304 -0.325 1.00 0.00 H new ATOM 0 HE2 HIS A 88 19.579 8.718 1.303 1.00 0.00 H new TER 1330 HIS A 88