USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 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 65 SER OG : rot -119:sc= 2.18 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 165:sc= 1.19 (180deg=-0.0108) USER MOD Set 2.1: A 50 ASN : amide:sc= 2.23 K(o=0.59,f=-11!) USER MOD Set 2.2: A 58 THR OG1 : rot -110:sc= -1.64! USER MOD Set 3.1: A 10 THR OG1 : rot 32:sc= 0.426 USER MOD Set 3.2: A 14 CYS SG : rot -83:sc= 0.979 USER MOD Set 4.1: A 9 TYR OH : rot 30:sc= 0.348 USER MOD Set 4.2: A 60 LYS NZ :NH3+ -152:sc= 0.372 (180deg=0) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0608 (180deg=-0.38) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0217 (180deg=0) 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 11 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00878 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -76:sc= 0.726 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.112 (180deg=-0.459) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.449 USER MOD Single : A 25 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 27 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0018) USER MOD Single : A 31 TYR OH : rot -168:sc= -0.615 USER MOD Single : A 38 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.514 K(o=0.51,f=-0.63) USER MOD Single : A 48 SER OG : rot 76:sc= 1.27 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00336 USER MOD Single : A 68 THR OG1 : rot -89:sc= 0.00386 USER MOD Single : A 69 ASN : amide:sc= -0.365 K(o=-0.37,f=-2.5!) USER MOD Single : A 71 SER OG : rot 79:sc= 0.228 USER MOD Single : A 76 LYS NZ :NH3+ -143:sc= 0.359 (180deg=-1.09!) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= -0.494 (180deg=-0.726) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 88 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.0082) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.733 13.563 4.431 1.00 0.00 N ATOM 2 CA MET A 1 9.837 12.977 5.759 1.00 0.00 C ATOM 3 C MET A 1 8.877 11.825 5.844 1.00 0.00 C ATOM 4 O MET A 1 7.716 11.964 5.473 1.00 0.00 O ATOM 5 CB MET A 1 9.514 14.013 6.856 1.00 0.00 C ATOM 6 CG MET A 1 9.537 13.447 8.278 1.00 0.00 C ATOM 7 SD MET A 1 9.168 14.672 9.560 1.00 0.00 S ATOM 8 CE MET A 1 7.497 15.168 9.122 1.00 0.00 C ATOM 0 H1 MET A 1 9.799 14.598 4.502 1.00 0.00 H new ATOM 0 H2 MET A 1 10.506 13.207 3.833 1.00 0.00 H new ATOM 0 H3 MET A 1 8.820 13.303 4.007 1.00 0.00 H new ATOM 0 HA MET A 1 10.860 12.636 5.920 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.232 14.831 6.791 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.529 14.437 6.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.814 12.634 8.347 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.520 13.017 8.472 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.046 15.705 9.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.528 15.817 8.247 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.902 14.283 8.896 1.00 0.00 H new ATOM 20 N VAL A 2 9.345 10.694 6.302 1.00 0.00 N ATOM 21 CA VAL A 2 8.487 9.552 6.448 1.00 0.00 C ATOM 22 C VAL A 2 7.704 9.639 7.763 1.00 0.00 C ATOM 23 O VAL A 2 8.277 9.638 8.852 1.00 0.00 O ATOM 24 CB VAL A 2 9.251 8.184 6.315 1.00 0.00 C ATOM 25 CG1 VAL A 2 9.847 8.039 4.924 1.00 0.00 C ATOM 26 CG2 VAL A 2 10.352 8.034 7.357 1.00 0.00 C ATOM 0 H VAL A 2 10.314 10.541 6.580 1.00 0.00 H new ATOM 0 HA VAL A 2 7.780 9.574 5.619 1.00 0.00 H new ATOM 0 HB VAL A 2 8.518 7.396 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.372 7.087 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.050 8.072 4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.547 8.854 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.850 7.074 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.077 8.839 7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.917 8.082 8.355 1.00 0.00 H new ATOM 36 N THR A 3 6.416 9.831 7.655 1.00 0.00 N ATOM 37 CA THR A 3 5.564 9.845 8.824 1.00 0.00 C ATOM 38 C THR A 3 4.873 8.475 8.903 1.00 0.00 C ATOM 39 O THR A 3 4.372 8.039 9.958 1.00 0.00 O ATOM 40 CB THR A 3 4.532 11.034 8.767 1.00 0.00 C ATOM 41 OG1 THR A 3 3.922 11.241 10.050 1.00 0.00 O ATOM 42 CG2 THR A 3 3.432 10.791 7.732 1.00 0.00 C ATOM 0 H THR A 3 5.930 9.980 6.771 1.00 0.00 H new ATOM 0 HA THR A 3 6.151 10.012 9.727 1.00 0.00 H new ATOM 0 HB THR A 3 5.095 11.920 8.475 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.286 11.984 9.994 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.744 11.636 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.880 10.682 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.888 9.881 7.986 1.00 0.00 H new ATOM 50 N ALA A 4 4.880 7.821 7.763 1.00 0.00 N ATOM 51 CA ALA A 4 4.401 6.498 7.558 1.00 0.00 C ATOM 52 C ALA A 4 5.321 5.906 6.520 1.00 0.00 C ATOM 53 O ALA A 4 6.037 6.663 5.854 1.00 0.00 O ATOM 54 CB ALA A 4 2.959 6.519 7.055 1.00 0.00 C ATOM 0 H ALA A 4 5.247 8.238 6.907 1.00 0.00 H new ATOM 0 HA ALA A 4 4.398 5.916 8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.611 5.497 6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.324 7.014 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.911 7.061 6.111 1.00 0.00 H new ATOM 60 N ALA A 5 5.358 4.612 6.396 1.00 0.00 N ATOM 61 CA ALA A 5 6.198 3.992 5.382 1.00 0.00 C ATOM 62 C ALA A 5 5.403 3.885 4.096 1.00 0.00 C ATOM 63 O ALA A 5 5.734 4.496 3.070 1.00 0.00 O ATOM 64 CB ALA A 5 6.676 2.626 5.861 1.00 0.00 C ATOM 0 H ALA A 5 4.826 3.960 6.973 1.00 0.00 H new ATOM 0 HA ALA A 5 7.084 4.600 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.304 2.171 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.252 2.743 6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.815 1.986 6.052 1.00 0.00 H new ATOM 70 N LEU A 6 4.343 3.138 4.178 1.00 0.00 N ATOM 71 CA LEU A 6 3.402 2.973 3.113 1.00 0.00 C ATOM 72 C LEU A 6 2.073 2.675 3.744 1.00 0.00 C ATOM 73 O LEU A 6 1.989 1.839 4.641 1.00 0.00 O ATOM 74 CB LEU A 6 3.807 1.876 2.083 1.00 0.00 C ATOM 75 CG LEU A 6 4.021 0.429 2.587 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.046 -0.524 1.417 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.332 0.301 3.332 1.00 0.00 C ATOM 0 H LEU A 6 4.102 2.609 5.016 1.00 0.00 H new ATOM 0 HA LEU A 6 3.364 3.891 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.038 1.847 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.730 2.199 1.602 1.00 0.00 H new ATOM 0 HG LEU A 6 3.198 0.187 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.197 -1.541 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.099 -0.467 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.860 -0.254 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.457 -0.726 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.155 0.564 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.330 0.973 4.191 1.00 0.00 H new ATOM 89 N THR A 7 1.073 3.387 3.334 1.00 0.00 N ATOM 90 CA THR A 7 -0.231 3.296 3.916 1.00 0.00 C ATOM 91 C THR A 7 -1.188 2.491 3.024 1.00 0.00 C ATOM 92 O THR A 7 -1.424 2.841 1.865 1.00 0.00 O ATOM 93 CB THR A 7 -0.775 4.715 4.146 1.00 0.00 C ATOM 94 OG1 THR A 7 0.218 5.468 4.872 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.059 4.682 4.956 1.00 0.00 C ATOM 0 H THR A 7 1.139 4.061 2.571 1.00 0.00 H new ATOM 0 HA THR A 7 -0.156 2.770 4.868 1.00 0.00 H new ATOM 0 HB THR A 7 -0.989 5.175 3.181 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.110 6.378 5.027 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.422 5.699 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.812 4.102 4.422 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.866 4.221 5.925 1.00 0.00 H new ATOM 103 N ILE A 8 -1.681 1.412 3.575 1.00 0.00 N ATOM 104 CA ILE A 8 -2.623 0.525 2.931 1.00 0.00 C ATOM 105 C ILE A 8 -4.064 0.970 3.198 1.00 0.00 C ATOM 106 O ILE A 8 -4.444 1.247 4.346 1.00 0.00 O ATOM 107 CB ILE A 8 -2.415 -0.942 3.429 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.119 -1.534 2.866 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.615 -1.832 3.126 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.820 -2.934 3.342 1.00 0.00 C ATOM 0 H ILE A 8 -1.430 1.114 4.518 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.444 0.564 1.856 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.324 -0.903 4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.177 -1.537 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.287 -0.884 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.421 -2.841 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.500 -1.431 3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.783 -1.862 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.114 -3.278 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.727 -2.937 4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.630 -3.600 3.045 1.00 0.00 H new ATOM 122 N TYR A 9 -4.834 1.054 2.136 1.00 0.00 N ATOM 123 CA TYR A 9 -6.240 1.386 2.197 1.00 0.00 C ATOM 124 C TYR A 9 -7.053 0.200 1.733 1.00 0.00 C ATOM 125 O TYR A 9 -7.013 -0.142 0.544 1.00 0.00 O ATOM 126 CB TYR A 9 -6.545 2.569 1.279 1.00 0.00 C ATOM 127 CG TYR A 9 -5.824 3.834 1.625 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.298 4.656 2.619 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.670 4.202 0.961 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.650 5.822 2.951 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.013 5.362 1.286 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.502 6.169 2.282 1.00 0.00 C ATOM 133 OH TYR A 9 -3.849 7.334 2.599 1.00 0.00 O ATOM 0 H TYR A 9 -4.494 0.890 1.188 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.494 1.646 3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.292 2.291 0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.618 2.761 1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.197 4.381 3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.280 3.569 0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.040 6.459 3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.112 5.639 0.759 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.995 7.544 3.545 1.00 0.00 H new ATOM 143 N THR A 10 -7.748 -0.460 2.642 1.00 0.00 N ATOM 144 CA THR A 10 -8.574 -1.572 2.262 1.00 0.00 C ATOM 145 C THR A 10 -9.570 -1.928 3.387 1.00 0.00 C ATOM 146 O THR A 10 -9.635 -1.246 4.431 1.00 0.00 O ATOM 147 CB THR A 10 -7.693 -2.809 1.871 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.476 -3.802 1.182 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.024 -3.441 3.093 1.00 0.00 C ATOM 0 H THR A 10 -7.752 -0.241 3.638 1.00 0.00 H new ATOM 0 HA THR A 10 -9.154 -1.283 1.385 1.00 0.00 H new ATOM 0 HB THR A 10 -6.912 -2.442 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.179 -3.361 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.423 -4.294 2.778 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.383 -2.705 3.578 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.789 -3.775 3.795 1.00 0.00 H new ATOM 157 N THR A 11 -10.354 -2.952 3.143 1.00 0.00 N ATOM 158 CA THR A 11 -11.286 -3.509 4.072 1.00 0.00 C ATOM 159 C THR A 11 -11.446 -4.980 3.684 1.00 0.00 C ATOM 160 O THR A 11 -11.201 -5.333 2.517 1.00 0.00 O ATOM 161 CB THR A 11 -12.664 -2.780 4.028 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.461 -1.392 4.198 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.588 -3.256 5.147 1.00 0.00 C ATOM 0 H THR A 11 -10.353 -3.437 2.245 1.00 0.00 H new ATOM 0 HA THR A 11 -10.918 -3.395 5.092 1.00 0.00 H new ATOM 0 HB THR A 11 -13.125 -3.002 3.066 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.324 -0.929 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.538 -2.726 5.084 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.762 -4.327 5.044 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.124 -3.055 6.112 1.00 0.00 H new ATOM 171 N SER A 12 -11.821 -5.810 4.637 1.00 0.00 N ATOM 172 CA SER A 12 -12.002 -7.249 4.484 1.00 0.00 C ATOM 173 C SER A 12 -12.857 -7.684 3.258 1.00 0.00 C ATOM 174 O SER A 12 -12.773 -8.833 2.843 1.00 0.00 O ATOM 175 CB SER A 12 -12.621 -7.773 5.767 1.00 0.00 C ATOM 176 OG SER A 12 -11.844 -7.368 6.883 1.00 0.00 O ATOM 0 H SER A 12 -12.018 -5.489 5.585 1.00 0.00 H new ATOM 0 HA SER A 12 -11.018 -7.677 4.292 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.640 -7.399 5.868 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.683 -8.861 5.732 1.00 0.00 H new ATOM 0 HG SER A 12 -12.252 -7.709 7.706 1.00 0.00 H new ATOM 182 N TRP A 13 -13.647 -6.787 2.676 1.00 0.00 N ATOM 183 CA TRP A 13 -14.471 -7.155 1.527 1.00 0.00 C ATOM 184 C TRP A 13 -13.663 -7.237 0.232 1.00 0.00 C ATOM 185 O TRP A 13 -14.102 -7.849 -0.737 1.00 0.00 O ATOM 186 CB TRP A 13 -15.681 -6.226 1.357 1.00 0.00 C ATOM 187 CG TRP A 13 -15.349 -4.776 1.140 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.184 -3.836 2.095 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.171 -4.103 -0.116 1.00 0.00 C ATOM 190 NE1 TRP A 13 -14.893 -2.626 1.526 1.00 0.00 N ATOM 191 CE2 TRP A 13 -14.884 -2.760 0.172 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.220 -4.508 -1.450 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -14.647 -1.819 -0.816 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -14.988 -3.571 -2.432 1.00 0.00 C ATOM 195 CH2 TRP A 13 -14.704 -2.239 -2.107 1.00 0.00 C ATOM 0 H TRP A 13 -13.735 -5.815 2.974 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.850 -8.155 1.740 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.273 -6.577 0.512 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.310 -6.310 2.243 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.270 -4.014 3.157 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -14.712 -1.761 2.036 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.435 -5.535 -1.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -14.425 -0.791 -0.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.026 -3.868 -3.470 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -14.526 -1.529 -2.901 1.00 0.00 H new ATOM 206 N CYS A 14 -12.492 -6.634 0.209 1.00 0.00 N ATOM 207 CA CYS A 14 -11.658 -6.705 -0.970 1.00 0.00 C ATOM 208 C CYS A 14 -11.040 -8.097 -1.048 1.00 0.00 C ATOM 209 O CYS A 14 -10.703 -8.673 -0.018 1.00 0.00 O ATOM 210 CB CYS A 14 -10.560 -5.643 -0.914 1.00 0.00 C ATOM 211 SG CYS A 14 -11.155 -3.945 -0.745 1.00 0.00 S ATOM 0 H CYS A 14 -12.101 -6.096 0.983 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.263 -6.518 -1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.900 -5.867 -0.076 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.959 -5.714 -1.821 1.00 0.00 H new ATOM 0 HG CYS A 14 -11.484 -3.482 -1.914 1.00 0.00 H new ATOM 217 N GLY A 15 -10.922 -8.649 -2.233 1.00 0.00 N ATOM 218 CA GLY A 15 -10.333 -9.970 -2.376 1.00 0.00 C ATOM 219 C GLY A 15 -8.852 -9.971 -2.045 1.00 0.00 C ATOM 220 O GLY A 15 -8.384 -10.761 -1.233 1.00 0.00 O ATOM 0 H GLY A 15 -11.221 -8.214 -3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.851 -10.671 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.476 -10.322 -3.397 1.00 0.00 H new ATOM 224 N TYR A 16 -8.131 -9.049 -2.635 1.00 0.00 N ATOM 225 CA TYR A 16 -6.692 -8.941 -2.453 1.00 0.00 C ATOM 226 C TYR A 16 -6.263 -8.402 -1.084 1.00 0.00 C ATOM 227 O TYR A 16 -5.075 -8.372 -0.817 1.00 0.00 O ATOM 228 CB TYR A 16 -6.019 -8.121 -3.560 1.00 0.00 C ATOM 229 CG TYR A 16 -5.970 -8.766 -4.933 1.00 0.00 C ATOM 230 CD1 TYR A 16 -5.401 -10.020 -5.114 1.00 0.00 C ATOM 231 CD2 TYR A 16 -6.450 -8.099 -6.056 1.00 0.00 C ATOM 232 CE1 TYR A 16 -5.315 -10.589 -6.369 1.00 0.00 C ATOM 233 CE2 TYR A 16 -6.375 -8.664 -7.308 1.00 0.00 C ATOM 234 CZ TYR A 16 -5.808 -9.907 -7.461 1.00 0.00 C ATOM 235 OH TYR A 16 -5.712 -10.462 -8.722 1.00 0.00 O ATOM 0 H TYR A 16 -8.523 -8.345 -3.260 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.348 -9.974 -2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.541 -7.168 -3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.998 -7.898 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.020 -10.559 -4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.890 -7.119 -5.942 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.864 -11.562 -6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.760 -8.134 -8.167 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.109 -9.852 -9.379 1.00 0.00 H new ATOM 245 N CYS A 17 -7.217 -7.966 -0.238 1.00 0.00 N ATOM 246 CA CYS A 17 -6.890 -7.311 1.061 1.00 0.00 C ATOM 247 C CYS A 17 -5.844 -8.072 1.863 1.00 0.00 C ATOM 248 O CYS A 17 -4.733 -7.589 2.050 1.00 0.00 O ATOM 249 CB CYS A 17 -8.154 -7.076 1.923 1.00 0.00 C ATOM 250 SG CYS A 17 -9.093 -8.570 2.349 1.00 0.00 S ATOM 0 H CYS A 17 -8.217 -8.051 -0.422 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.462 -6.343 0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.857 -6.579 2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.814 -6.392 1.391 1.00 0.00 H new ATOM 0 HG CYS A 17 -9.775 -8.963 1.315 1.00 0.00 H new ATOM 256 N LEU A 18 -6.166 -9.285 2.238 1.00 0.00 N ATOM 257 CA LEU A 18 -5.303 -10.069 3.082 1.00 0.00 C ATOM 258 C LEU A 18 -4.142 -10.626 2.257 1.00 0.00 C ATOM 259 O LEU A 18 -3.050 -10.853 2.771 1.00 0.00 O ATOM 260 CB LEU A 18 -6.127 -11.186 3.738 1.00 0.00 C ATOM 261 CG LEU A 18 -5.732 -11.615 5.164 1.00 0.00 C ATOM 262 CD1 LEU A 18 -4.368 -12.267 5.206 1.00 0.00 C ATOM 263 CD2 LEU A 18 -5.783 -10.417 6.106 1.00 0.00 C ATOM 0 H LEU A 18 -7.030 -9.754 1.967 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.877 -9.450 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.169 -10.868 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.075 -12.065 3.095 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.454 -12.362 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.133 -12.552 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.369 -13.155 4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.618 -11.564 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.502 -10.732 7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.090 -9.651 5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.794 -10.010 6.123 1.00 0.00 H new ATOM 275 N ARG A 19 -4.375 -10.779 0.972 1.00 0.00 N ATOM 276 CA ARG A 19 -3.372 -11.283 0.054 1.00 0.00 C ATOM 277 C ARG A 19 -2.172 -10.333 0.035 1.00 0.00 C ATOM 278 O ARG A 19 -1.014 -10.765 0.117 1.00 0.00 O ATOM 279 CB ARG A 19 -3.982 -11.437 -1.347 1.00 0.00 C ATOM 280 CG ARG A 19 -3.064 -12.041 -2.397 1.00 0.00 C ATOM 281 CD ARG A 19 -2.649 -13.456 -2.033 1.00 0.00 C ATOM 282 NE ARG A 19 -1.830 -14.065 -3.084 1.00 0.00 N ATOM 283 CZ ARG A 19 -1.234 -15.270 -3.001 1.00 0.00 C ATOM 284 NH1 ARG A 19 -1.381 -16.031 -1.916 1.00 0.00 N ATOM 285 NH2 ARG A 19 -0.522 -15.728 -4.021 1.00 0.00 N ATOM 0 H ARG A 19 -5.268 -10.557 0.531 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.028 -12.263 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.875 -12.058 -1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.305 -10.455 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.570 -12.047 -3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.176 -11.418 -2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.090 -13.443 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.538 -14.065 -1.865 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.701 -13.535 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.950 -15.703 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.924 -16.942 -1.866 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.426 -15.168 -4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.070 -16.640 -3.959 1.00 0.00 H new ATOM 299 N LEU A 20 -2.472 -9.045 -0.015 1.00 0.00 N ATOM 300 CA LEU A 20 -1.464 -8.003 0.012 1.00 0.00 C ATOM 301 C LEU A 20 -0.773 -7.967 1.382 1.00 0.00 C ATOM 302 O LEU A 20 0.455 -7.835 1.466 1.00 0.00 O ATOM 303 CB LEU A 20 -2.108 -6.640 -0.325 1.00 0.00 C ATOM 304 CG LEU A 20 -1.202 -5.401 -0.256 1.00 0.00 C ATOM 305 CD1 LEU A 20 -0.023 -5.508 -1.218 1.00 0.00 C ATOM 306 CD2 LEU A 20 -2.002 -4.137 -0.536 1.00 0.00 C ATOM 0 H LEU A 20 -3.428 -8.693 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.705 -8.218 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.521 -6.701 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.946 -6.485 0.355 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.799 -5.347 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.593 -4.613 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.575 -6.384 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.394 -5.604 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.343 -3.270 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.442 -4.198 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.795 -4.036 0.205 1.00 0.00 H new ATOM 318 N LYS A 21 -1.566 -8.133 2.450 1.00 0.00 N ATOM 319 CA LYS A 21 -1.040 -8.137 3.827 1.00 0.00 C ATOM 320 C LYS A 21 0.000 -9.248 3.968 1.00 0.00 C ATOM 321 O LYS A 21 1.130 -9.015 4.416 1.00 0.00 O ATOM 322 CB LYS A 21 -2.164 -8.389 4.854 1.00 0.00 C ATOM 323 CG LYS A 21 -3.405 -7.485 4.736 1.00 0.00 C ATOM 324 CD LYS A 21 -3.148 -5.968 4.777 1.00 0.00 C ATOM 325 CE LYS A 21 -2.923 -5.411 6.178 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.029 -5.731 7.109 1.00 0.00 N ATOM 0 H LYS A 21 -2.575 -8.267 2.389 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.595 -7.161 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.486 -9.427 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.747 -8.271 5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.913 -7.721 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.091 -7.738 5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.276 -5.742 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.997 -5.454 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.991 -5.811 6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.806 -4.329 6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.996 -5.084 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.939 -5.623 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.930 -6.711 7.442 1.00 0.00 H new ATOM 340 N THR A 22 -0.384 -10.444 3.546 1.00 0.00 N ATOM 341 CA THR A 22 0.463 -11.613 3.600 1.00 0.00 C ATOM 342 C THR A 22 1.723 -11.430 2.761 1.00 0.00 C ATOM 343 O THR A 22 2.825 -11.700 3.240 1.00 0.00 O ATOM 344 CB THR A 22 -0.312 -12.867 3.132 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.477 -13.035 3.953 1.00 0.00 O ATOM 346 CG2 THR A 22 0.551 -14.122 3.223 1.00 0.00 C ATOM 0 H THR A 22 -1.307 -10.626 3.152 1.00 0.00 H new ATOM 0 HA THR A 22 0.767 -11.751 4.638 1.00 0.00 H new ATOM 0 HB THR A 22 -0.596 -12.723 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.191 -12.445 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.024 -14.984 2.887 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.432 -14.005 2.591 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.863 -14.275 4.256 1.00 0.00 H new ATOM 354 N ALA A 23 1.558 -10.928 1.539 1.00 0.00 N ATOM 355 CA ALA A 23 2.669 -10.730 0.621 1.00 0.00 C ATOM 356 C ALA A 23 3.733 -9.832 1.234 1.00 0.00 C ATOM 357 O ALA A 23 4.930 -10.141 1.178 1.00 0.00 O ATOM 358 CB ALA A 23 2.177 -10.153 -0.699 1.00 0.00 C ATOM 0 H ALA A 23 0.652 -10.649 1.162 1.00 0.00 H new ATOM 0 HA ALA A 23 3.121 -11.702 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.023 -10.012 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.463 -10.840 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.693 -9.193 -0.519 1.00 0.00 H new ATOM 364 N LEU A 24 3.302 -8.755 1.857 1.00 0.00 N ATOM 365 CA LEU A 24 4.233 -7.826 2.468 1.00 0.00 C ATOM 366 C LEU A 24 4.864 -8.421 3.723 1.00 0.00 C ATOM 367 O LEU A 24 6.068 -8.316 3.927 1.00 0.00 O ATOM 368 CB LEU A 24 3.567 -6.487 2.785 1.00 0.00 C ATOM 369 CG LEU A 24 2.892 -5.719 1.629 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.384 -4.385 2.122 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.824 -5.498 0.454 1.00 0.00 C ATOM 0 H LEU A 24 2.319 -8.501 1.954 1.00 0.00 H new ATOM 0 HA LEU A 24 5.025 -7.641 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.814 -6.663 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.322 -5.834 3.223 1.00 0.00 H new ATOM 0 HG LEU A 24 2.063 -6.335 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.909 -3.850 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.657 -4.544 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.218 -3.797 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.298 -4.953 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.689 -4.920 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.156 -6.461 0.067 1.00 0.00 H new ATOM 383 N THR A 25 4.064 -9.076 4.522 1.00 0.00 N ATOM 384 CA THR A 25 4.533 -9.683 5.754 1.00 0.00 C ATOM 385 C THR A 25 5.559 -10.816 5.469 1.00 0.00 C ATOM 386 O THR A 25 6.575 -10.948 6.167 1.00 0.00 O ATOM 387 CB THR A 25 3.327 -10.209 6.562 1.00 0.00 C ATOM 388 OG1 THR A 25 2.404 -9.121 6.764 1.00 0.00 O ATOM 389 CG2 THR A 25 3.754 -10.765 7.917 1.00 0.00 C ATOM 0 H THR A 25 3.068 -9.208 4.343 1.00 0.00 H new ATOM 0 HA THR A 25 5.049 -8.927 6.345 1.00 0.00 H new ATOM 0 HB THR A 25 2.861 -11.020 6.002 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.768 -9.089 6.019 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.877 -11.125 8.455 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.452 -11.589 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.238 -9.979 8.497 1.00 0.00 H new ATOM 397 N ALA A 26 5.320 -11.583 4.412 1.00 0.00 N ATOM 398 CA ALA A 26 6.208 -12.681 4.025 1.00 0.00 C ATOM 399 C ALA A 26 7.554 -12.164 3.514 1.00 0.00 C ATOM 400 O ALA A 26 8.587 -12.796 3.705 1.00 0.00 O ATOM 401 CB ALA A 26 5.545 -13.558 2.977 1.00 0.00 C ATOM 0 H ALA A 26 4.512 -11.466 3.801 1.00 0.00 H new ATOM 0 HA ALA A 26 6.399 -13.279 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.219 -14.369 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.623 -13.975 3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.316 -12.961 2.095 1.00 0.00 H new ATOM 407 N ASN A 27 7.539 -10.989 2.915 1.00 0.00 N ATOM 408 CA ASN A 27 8.752 -10.380 2.353 1.00 0.00 C ATOM 409 C ASN A 27 9.319 -9.334 3.290 1.00 0.00 C ATOM 410 O ASN A 27 10.106 -8.473 2.876 1.00 0.00 O ATOM 411 CB ASN A 27 8.475 -9.783 0.959 1.00 0.00 C ATOM 412 CG ASN A 27 8.251 -10.849 -0.104 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.192 -11.294 -0.772 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.025 -11.260 -0.281 1.00 0.00 N ATOM 0 H ASN A 27 6.697 -10.425 2.799 1.00 0.00 H new ATOM 0 HA ASN A 27 9.499 -11.165 2.238 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.597 -9.139 1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.315 -9.153 0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.821 -11.968 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.271 -10.873 0.286 1.00 0.00 H new ATOM 421 N ARG A 28 8.951 -9.467 4.579 1.00 0.00 N ATOM 422 CA ARG A 28 9.344 -8.567 5.678 1.00 0.00 C ATOM 423 C ARG A 28 9.261 -7.096 5.336 1.00 0.00 C ATOM 424 O ARG A 28 10.272 -6.372 5.295 1.00 0.00 O ATOM 425 CB ARG A 28 10.678 -8.925 6.374 1.00 0.00 C ATOM 426 CG ARG A 28 11.874 -9.031 5.456 1.00 0.00 C ATOM 427 CD ARG A 28 13.176 -9.104 6.236 1.00 0.00 C ATOM 428 NE ARG A 28 13.175 -10.183 7.229 1.00 0.00 N ATOM 429 CZ ARG A 28 14.167 -10.434 8.087 1.00 0.00 C ATOM 430 NH1 ARG A 28 15.308 -9.755 8.019 1.00 0.00 N ATOM 431 NH2 ARG A 28 14.023 -11.380 9.001 1.00 0.00 N ATOM 0 H ARG A 28 8.352 -10.230 4.893 1.00 0.00 H new ATOM 0 HA ARG A 28 8.571 -8.753 6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.888 -8.171 7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.554 -9.875 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.775 -9.918 4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.898 -8.170 4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.004 -9.253 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.349 -8.152 6.738 1.00 0.00 H new ATOM 0 HE ARG A 28 12.354 -10.788 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.431 -9.035 7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.060 -9.954 8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.156 -11.915 9.049 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.779 -11.574 9.658 1.00 0.00 H new ATOM 445 N ILE A 29 8.085 -6.669 5.026 1.00 0.00 N ATOM 446 CA ILE A 29 7.839 -5.301 4.714 1.00 0.00 C ATOM 447 C ILE A 29 6.960 -4.703 5.787 1.00 0.00 C ATOM 448 O ILE A 29 5.858 -5.186 6.040 1.00 0.00 O ATOM 449 CB ILE A 29 7.159 -5.151 3.339 1.00 0.00 C ATOM 450 CG1 ILE A 29 8.046 -5.786 2.247 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.912 -3.667 3.055 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.369 -6.006 0.925 1.00 0.00 C ATOM 0 H ILE A 29 7.258 -7.265 4.981 1.00 0.00 H new ATOM 0 HA ILE A 29 8.794 -4.777 4.672 1.00 0.00 H new ATOM 0 HB ILE A 29 6.200 -5.668 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.916 -5.148 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.415 -6.744 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.431 -3.558 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.266 -3.251 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.863 -3.134 3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.074 -6.456 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.516 -6.672 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.025 -5.051 0.529 1.00 0.00 H new ATOM 464 N ALA A 30 7.486 -3.710 6.439 1.00 0.00 N ATOM 465 CA ALA A 30 6.783 -2.982 7.461 1.00 0.00 C ATOM 466 C ALA A 30 5.835 -2.011 6.799 1.00 0.00 C ATOM 467 O ALA A 30 6.248 -1.247 5.930 1.00 0.00 O ATOM 468 CB ALA A 30 7.784 -2.222 8.279 1.00 0.00 C ATOM 0 H ALA A 30 8.435 -3.374 6.275 1.00 0.00 H new ATOM 0 HA ALA A 30 6.223 -3.664 8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.267 -1.664 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.486 -2.920 8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.328 -1.529 7.637 1.00 0.00 H new ATOM 474 N TYR A 31 4.588 -2.037 7.180 1.00 0.00 N ATOM 475 CA TYR A 31 3.625 -1.167 6.559 1.00 0.00 C ATOM 476 C TYR A 31 2.652 -0.587 7.544 1.00 0.00 C ATOM 477 O TYR A 31 2.561 -1.022 8.706 1.00 0.00 O ATOM 478 CB TYR A 31 2.884 -1.883 5.416 1.00 0.00 C ATOM 479 CG TYR A 31 2.157 -3.152 5.825 1.00 0.00 C ATOM 480 CD1 TYR A 31 0.898 -3.101 6.400 1.00 0.00 C ATOM 481 CD2 TYR A 31 2.728 -4.395 5.618 1.00 0.00 C ATOM 482 CE1 TYR A 31 0.230 -4.247 6.755 1.00 0.00 C ATOM 483 CE2 TYR A 31 2.066 -5.552 5.972 1.00 0.00 C ATOM 484 CZ TYR A 31 0.817 -5.472 6.540 1.00 0.00 C ATOM 485 OH TYR A 31 0.145 -6.623 6.888 1.00 0.00 O ATOM 0 H TYR A 31 4.216 -2.644 7.910 1.00 0.00 H new ATOM 0 HA TYR A 31 4.187 -0.333 6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.162 -1.192 4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.602 -2.129 4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.433 -2.142 6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.709 -4.460 5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.752 -4.187 7.201 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.526 -6.515 5.804 1.00 0.00 H new ATOM 0 HH TYR A 31 0.760 -7.385 6.851 1.00 0.00 H new ATOM 495 N ASP A 32 1.922 0.370 7.068 1.00 0.00 N ATOM 496 CA ASP A 32 0.929 1.065 7.811 1.00 0.00 C ATOM 497 C ASP A 32 -0.389 0.862 7.112 1.00 0.00 C ATOM 498 O ASP A 32 -0.441 0.847 5.898 1.00 0.00 O ATOM 499 CB ASP A 32 1.262 2.566 7.855 1.00 0.00 C ATOM 500 CG ASP A 32 2.478 2.901 8.688 1.00 0.00 C ATOM 501 OD1 ASP A 32 2.352 2.947 9.931 1.00 0.00 O ATOM 502 OD2 ASP A 32 3.594 3.123 8.121 1.00 0.00 O ATOM 0 H ASP A 32 2.008 0.701 6.107 1.00 0.00 H new ATOM 0 HA ASP A 32 0.887 0.689 8.833 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.422 2.922 6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.403 3.107 8.251 1.00 0.00 H new ATOM 507 N GLU A 33 -1.425 0.666 7.848 1.00 0.00 N ATOM 508 CA GLU A 33 -2.738 0.491 7.278 1.00 0.00 C ATOM 509 C GLU A 33 -3.730 1.377 7.983 1.00 0.00 C ATOM 510 O GLU A 33 -3.562 1.680 9.165 1.00 0.00 O ATOM 511 CB GLU A 33 -3.159 -1.006 7.259 1.00 0.00 C ATOM 512 CG GLU A 33 -2.845 -1.828 8.514 1.00 0.00 C ATOM 513 CD GLU A 33 -3.600 -1.412 9.751 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.787 -1.755 9.882 1.00 0.00 O ATOM 515 OE2 GLU A 33 -2.998 -0.762 10.635 1.00 0.00 O ATOM 0 H GLU A 33 -1.399 0.620 8.867 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.714 0.801 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.233 -1.055 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.673 -1.485 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.063 -2.876 8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.776 -1.759 8.718 1.00 0.00 H new ATOM 522 N VAL A 34 -4.687 1.868 7.268 1.00 0.00 N ATOM 523 CA VAL A 34 -5.715 2.682 7.854 1.00 0.00 C ATOM 524 C VAL A 34 -7.039 2.274 7.242 1.00 0.00 C ATOM 525 O VAL A 34 -7.075 1.818 6.086 1.00 0.00 O ATOM 526 CB VAL A 34 -5.428 4.216 7.676 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.433 4.641 6.227 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.382 5.071 8.485 1.00 0.00 C ATOM 0 H VAL A 34 -4.784 1.721 6.263 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.743 2.518 8.931 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.421 4.378 8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.230 5.710 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.665 4.091 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.409 4.429 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.146 6.124 8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.406 4.878 8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.281 4.827 9.543 1.00 0.00 H new ATOM 538 N ASP A 35 -8.094 2.356 7.999 1.00 0.00 N ATOM 539 CA ASP A 35 -9.387 1.953 7.499 1.00 0.00 C ATOM 540 C ASP A 35 -9.975 2.990 6.564 1.00 0.00 C ATOM 541 O ASP A 35 -9.805 4.182 6.761 1.00 0.00 O ATOM 542 CB ASP A 35 -10.329 1.714 8.668 1.00 0.00 C ATOM 543 CG ASP A 35 -11.748 1.498 8.239 1.00 0.00 C ATOM 544 OD1 ASP A 35 -11.976 0.693 7.315 1.00 0.00 O ATOM 545 OD2 ASP A 35 -12.657 2.155 8.795 1.00 0.00 O ATOM 0 H ASP A 35 -8.091 2.696 8.961 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.259 1.032 6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.989 0.845 9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.285 2.568 9.344 1.00 0.00 H new ATOM 550 N ILE A 36 -10.604 2.517 5.521 1.00 0.00 N ATOM 551 CA ILE A 36 -11.315 3.350 4.571 1.00 0.00 C ATOM 552 C ILE A 36 -12.765 3.623 4.999 1.00 0.00 C ATOM 553 O ILE A 36 -13.328 4.658 4.685 1.00 0.00 O ATOM 554 CB ILE A 36 -11.254 2.766 3.142 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.890 1.373 3.091 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.807 2.707 2.695 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.853 0.697 1.732 1.00 0.00 C ATOM 0 H ILE A 36 -10.641 1.522 5.298 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.801 4.311 4.560 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.819 3.410 2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.382 0.732 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.929 1.453 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.754 2.296 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.383 3.711 2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.241 2.071 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.327 -0.282 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.388 1.310 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.818 0.578 1.413 1.00 0.00 H new ATOM 569 N GLU A 37 -13.339 2.684 5.729 1.00 0.00 N ATOM 570 CA GLU A 37 -14.749 2.696 6.081 1.00 0.00 C ATOM 571 C GLU A 37 -15.127 3.909 6.920 1.00 0.00 C ATOM 572 O GLU A 37 -16.000 4.685 6.538 1.00 0.00 O ATOM 573 CB GLU A 37 -15.100 1.394 6.789 1.00 0.00 C ATOM 574 CG GLU A 37 -16.140 0.562 6.083 1.00 0.00 C ATOM 575 CD GLU A 37 -17.515 1.150 6.199 1.00 0.00 C ATOM 576 OE1 GLU A 37 -18.201 0.874 7.196 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.943 1.898 5.304 1.00 0.00 O ATOM 0 H GLU A 37 -12.833 1.880 6.100 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.332 2.775 5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.193 0.800 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.457 1.625 7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.875 0.470 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.141 -0.445 6.501 1.00 0.00 H new ATOM 584 N HIS A 38 -14.459 4.100 8.023 1.00 0.00 N ATOM 585 CA HIS A 38 -14.762 5.236 8.890 1.00 0.00 C ATOM 586 C HIS A 38 -13.874 6.443 8.590 1.00 0.00 C ATOM 587 O HIS A 38 -13.818 7.407 9.359 1.00 0.00 O ATOM 588 CB HIS A 38 -14.697 4.844 10.370 1.00 0.00 C ATOM 589 CG HIS A 38 -15.826 3.954 10.819 1.00 0.00 C ATOM 590 ND1 HIS A 38 -16.779 4.335 11.738 1.00 0.00 N ATOM 591 CD2 HIS A 38 -16.141 2.684 10.465 1.00 0.00 C ATOM 592 CE1 HIS A 38 -17.621 3.320 11.913 1.00 0.00 C ATOM 593 NE2 HIS A 38 -17.285 2.285 11.159 1.00 0.00 N ATOM 0 H HIS A 38 -13.705 3.497 8.353 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.787 5.537 8.673 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.751 4.337 10.560 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.700 5.750 10.976 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.594 2.077 9.759 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.468 3.338 12.583 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -17.762 1.385 11.098 1.00 0.00 H new ATOM 601 N ASN A 39 -13.229 6.410 7.449 1.00 0.00 N ATOM 602 CA ASN A 39 -12.360 7.488 7.012 1.00 0.00 C ATOM 603 C ASN A 39 -12.701 7.872 5.608 1.00 0.00 C ATOM 604 O ASN A 39 -12.180 7.286 4.654 1.00 0.00 O ATOM 605 CB ASN A 39 -10.883 7.096 7.088 1.00 0.00 C ATOM 606 CG ASN A 39 -10.343 7.014 8.494 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.683 7.809 9.360 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.546 6.031 8.741 1.00 0.00 N ATOM 0 H ASN A 39 -13.289 5.633 6.791 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.518 8.333 7.682 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.748 6.130 6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.295 7.822 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.178 5.897 9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.284 5.387 7.995 1.00 0.00 H new ATOM 615 N ARG A 40 -13.593 8.835 5.468 1.00 0.00 N ATOM 616 CA ARG A 40 -14.042 9.292 4.168 1.00 0.00 C ATOM 617 C ARG A 40 -12.878 9.744 3.311 1.00 0.00 C ATOM 618 O ARG A 40 -12.764 9.332 2.182 1.00 0.00 O ATOM 619 CB ARG A 40 -15.061 10.425 4.268 1.00 0.00 C ATOM 620 CG ARG A 40 -15.429 10.962 2.896 1.00 0.00 C ATOM 621 CD ARG A 40 -16.306 12.178 2.951 1.00 0.00 C ATOM 622 NE ARG A 40 -16.372 12.796 1.632 1.00 0.00 N ATOM 623 CZ ARG A 40 -17.157 13.794 1.272 1.00 0.00 C ATOM 624 NH1 ARG A 40 -18.035 14.321 2.131 1.00 0.00 N ATOM 625 NH2 ARG A 40 -17.048 14.272 0.044 1.00 0.00 N ATOM 0 H ARG A 40 -14.026 9.322 6.253 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.527 8.436 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.958 10.066 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.653 11.231 4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.516 11.205 2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.938 10.180 2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.306 11.902 3.284 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.913 12.889 3.677 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.750 12.420 0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.105 13.952 3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.635 15.092 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.368 13.870 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.644 15.043 -0.258 1.00 0.00 H new ATOM 639 N ALA A 41 -11.997 10.550 3.878 1.00 0.00 N ATOM 640 CA ALA A 41 -10.844 11.091 3.144 1.00 0.00 C ATOM 641 C ALA A 41 -9.926 9.980 2.647 1.00 0.00 C ATOM 642 O ALA A 41 -9.183 10.163 1.691 1.00 0.00 O ATOM 643 CB ALA A 41 -10.076 12.070 4.011 1.00 0.00 C ATOM 0 H ALA A 41 -12.051 10.851 4.851 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.224 11.620 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.226 12.461 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.731 12.893 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.719 11.561 4.906 1.00 0.00 H new ATOM 649 N ALA A 42 -9.990 8.834 3.284 1.00 0.00 N ATOM 650 CA ALA A 42 -9.220 7.706 2.850 1.00 0.00 C ATOM 651 C ALA A 42 -9.985 6.934 1.786 1.00 0.00 C ATOM 652 O ALA A 42 -9.436 6.622 0.741 1.00 0.00 O ATOM 653 CB ALA A 42 -8.857 6.813 4.009 1.00 0.00 C ATOM 0 H ALA A 42 -10.570 8.664 4.105 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.289 8.070 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.273 5.967 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.268 7.377 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.767 6.449 4.487 1.00 0.00 H new ATOM 659 N ALA A 43 -11.270 6.670 2.045 1.00 0.00 N ATOM 660 CA ALA A 43 -12.142 5.941 1.111 1.00 0.00 C ATOM 661 C ALA A 43 -12.289 6.691 -0.203 1.00 0.00 C ATOM 662 O ALA A 43 -12.214 6.106 -1.285 1.00 0.00 O ATOM 663 CB ALA A 43 -13.512 5.715 1.725 1.00 0.00 C ATOM 0 H ALA A 43 -11.737 6.954 2.906 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.676 4.977 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.142 5.174 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.409 5.132 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.970 6.677 1.957 1.00 0.00 H new ATOM 669 N GLU A 44 -12.482 7.978 -0.097 1.00 0.00 N ATOM 670 CA GLU A 44 -12.631 8.873 -1.224 1.00 0.00 C ATOM 671 C GLU A 44 -11.351 8.899 -2.041 1.00 0.00 C ATOM 672 O GLU A 44 -11.378 8.913 -3.277 1.00 0.00 O ATOM 673 CB GLU A 44 -12.997 10.259 -0.689 1.00 0.00 C ATOM 674 CG GLU A 44 -13.157 11.336 -1.718 1.00 0.00 C ATOM 675 CD GLU A 44 -13.816 12.554 -1.148 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.023 12.504 -0.842 1.00 0.00 O ATOM 677 OE2 GLU A 44 -13.134 13.582 -0.955 1.00 0.00 O ATOM 0 H GLU A 44 -12.543 8.453 0.804 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.425 8.531 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.929 10.177 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.227 10.570 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.179 11.605 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.750 10.958 -2.551 1.00 0.00 H new ATOM 684 N PHE A 45 -10.244 8.855 -1.344 1.00 0.00 N ATOM 685 CA PHE A 45 -8.938 8.829 -1.951 1.00 0.00 C ATOM 686 C PHE A 45 -8.735 7.516 -2.712 1.00 0.00 C ATOM 687 O PHE A 45 -8.574 7.520 -3.936 1.00 0.00 O ATOM 688 CB PHE A 45 -7.873 9.010 -0.866 1.00 0.00 C ATOM 689 CG PHE A 45 -6.465 8.900 -1.342 1.00 0.00 C ATOM 690 CD1 PHE A 45 -5.892 9.917 -2.078 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.710 7.781 -1.038 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.591 9.826 -2.508 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.410 7.684 -1.467 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.849 8.710 -2.204 1.00 0.00 C ATOM 0 H PHE A 45 -10.225 8.836 -0.324 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.849 9.646 -2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.009 9.988 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.037 8.264 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.474 10.795 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.146 6.980 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.153 10.628 -3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.826 6.807 -1.229 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.826 8.634 -2.541 1.00 0.00 H new ATOM 704 N VAL A 46 -8.816 6.397 -1.993 1.00 0.00 N ATOM 705 CA VAL A 46 -8.601 5.072 -2.576 1.00 0.00 C ATOM 706 C VAL A 46 -9.613 4.774 -3.693 1.00 0.00 C ATOM 707 O VAL A 46 -9.266 4.184 -4.700 1.00 0.00 O ATOM 708 CB VAL A 46 -8.574 3.936 -1.485 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.806 3.919 -0.684 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.402 2.575 -2.077 1.00 0.00 C ATOM 0 H VAL A 46 -9.031 6.382 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.611 5.084 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.716 4.169 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.747 3.121 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.924 4.877 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.662 3.746 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.390 1.831 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.229 2.367 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.461 2.533 -2.626 1.00 0.00 H new ATOM 720 N GLY A 47 -10.833 5.258 -3.532 1.00 0.00 N ATOM 721 CA GLY A 47 -11.856 5.049 -4.526 1.00 0.00 C ATOM 722 C GLY A 47 -11.589 5.803 -5.812 1.00 0.00 C ATOM 723 O GLY A 47 -12.001 5.369 -6.888 1.00 0.00 O ATOM 0 H GLY A 47 -11.133 5.798 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.932 3.984 -4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.819 5.361 -4.121 1.00 0.00 H new ATOM 727 N SER A 48 -10.901 6.916 -5.714 1.00 0.00 N ATOM 728 CA SER A 48 -10.598 7.715 -6.878 1.00 0.00 C ATOM 729 C SER A 48 -9.351 7.196 -7.604 1.00 0.00 C ATOM 730 O SER A 48 -9.266 7.256 -8.826 1.00 0.00 O ATOM 731 CB SER A 48 -10.438 9.179 -6.481 1.00 0.00 C ATOM 732 OG SER A 48 -11.632 9.654 -5.847 1.00 0.00 O ATOM 0 H SER A 48 -10.539 7.290 -4.837 1.00 0.00 H new ATOM 0 HA SER A 48 -11.432 7.635 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.590 9.289 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.222 9.781 -7.364 1.00 0.00 H new ATOM 0 HG SER A 48 -11.675 9.309 -4.931 1.00 0.00 H new ATOM 738 N VAL A 49 -8.417 6.654 -6.853 1.00 0.00 N ATOM 739 CA VAL A 49 -7.159 6.164 -7.419 1.00 0.00 C ATOM 740 C VAL A 49 -7.238 4.672 -7.718 1.00 0.00 C ATOM 741 O VAL A 49 -6.236 4.037 -8.053 1.00 0.00 O ATOM 742 CB VAL A 49 -5.962 6.429 -6.460 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.832 7.903 -6.180 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.126 5.671 -5.153 1.00 0.00 C ATOM 0 H VAL A 49 -8.497 6.537 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.995 6.710 -8.348 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.056 6.074 -6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.991 8.073 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.663 8.437 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.748 8.267 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.275 5.876 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.044 5.991 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.178 4.601 -5.357 1.00 0.00 H new ATOM 754 N ASN A 50 -8.418 4.128 -7.614 1.00 0.00 N ATOM 755 CA ASN A 50 -8.616 2.699 -7.787 1.00 0.00 C ATOM 756 C ASN A 50 -8.793 2.342 -9.255 1.00 0.00 C ATOM 757 O ASN A 50 -8.857 3.224 -10.125 1.00 0.00 O ATOM 758 CB ASN A 50 -9.854 2.226 -7.026 1.00 0.00 C ATOM 759 CG ASN A 50 -9.567 1.097 -6.064 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.369 0.188 -5.896 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.485 1.174 -5.369 1.00 0.00 N ATOM 0 H ASN A 50 -9.270 4.650 -7.409 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.727 2.205 -7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.276 3.066 -6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.610 1.902 -7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.282 0.468 -4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.831 1.941 -5.527 1.00 0.00 H new ATOM 768 N GLY A 51 -8.897 1.060 -9.524 1.00 0.00 N ATOM 769 CA GLY A 51 -9.118 0.593 -10.862 1.00 0.00 C ATOM 770 C GLY A 51 -10.590 0.595 -11.200 1.00 0.00 C ATOM 771 O GLY A 51 -11.291 -0.401 -10.985 1.00 0.00 O ATOM 0 H GLY A 51 -8.831 0.322 -8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.579 1.227 -11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.718 -0.415 -10.970 1.00 0.00 H new ATOM 775 N GLY A 52 -11.070 1.717 -11.673 1.00 0.00 N ATOM 776 CA GLY A 52 -12.455 1.840 -12.043 1.00 0.00 C ATOM 777 C GLY A 52 -13.267 2.466 -10.937 1.00 0.00 C ATOM 778 O GLY A 52 -13.687 3.622 -11.039 1.00 0.00 O ATOM 0 H GLY A 52 -10.517 2.563 -11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.540 2.445 -12.946 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.859 0.856 -12.280 1.00 0.00 H new ATOM 782 N ASN A 53 -13.480 1.714 -9.889 1.00 0.00 N ATOM 783 CA ASN A 53 -14.208 2.171 -8.726 1.00 0.00 C ATOM 784 C ASN A 53 -13.580 1.544 -7.511 1.00 0.00 C ATOM 785 O ASN A 53 -12.691 0.714 -7.659 1.00 0.00 O ATOM 786 CB ASN A 53 -15.706 1.814 -8.793 1.00 0.00 C ATOM 787 CG ASN A 53 -16.026 0.330 -8.660 1.00 0.00 C ATOM 788 OD1 ASN A 53 -15.273 -0.545 -9.079 1.00 0.00 O ATOM 789 ND2 ASN A 53 -17.137 0.047 -8.055 1.00 0.00 N ATOM 0 H ASN A 53 -13.149 0.752 -9.815 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.150 3.259 -8.681 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.227 2.354 -8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.106 2.172 -9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.408 -0.926 -7.915 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.740 0.798 -7.719 1.00 0.00 H new ATOM 796 N ARG A 54 -14.006 1.952 -6.316 1.00 0.00 N ATOM 797 CA ARG A 54 -13.473 1.376 -5.080 1.00 0.00 C ATOM 798 C ARG A 54 -13.766 -0.132 -5.000 1.00 0.00 C ATOM 799 O ARG A 54 -14.919 -0.559 -4.864 1.00 0.00 O ATOM 800 CB ARG A 54 -13.950 2.126 -3.783 1.00 0.00 C ATOM 801 CG ARG A 54 -15.460 2.090 -3.443 1.00 0.00 C ATOM 802 CD ARG A 54 -16.318 2.928 -4.390 1.00 0.00 C ATOM 803 NE ARG A 54 -15.974 4.360 -4.345 1.00 0.00 N ATOM 804 CZ ARG A 54 -16.093 5.227 -5.370 1.00 0.00 C ATOM 805 NH1 ARG A 54 -16.624 4.829 -6.529 1.00 0.00 N ATOM 806 NH2 ARG A 54 -15.724 6.491 -5.214 1.00 0.00 N ATOM 0 H ARG A 54 -14.713 2.674 -6.177 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.393 1.514 -5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.406 1.709 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.651 3.171 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.806 1.057 -3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.603 2.447 -2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.195 2.560 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.369 2.802 -4.130 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.615 4.726 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.941 3.866 -6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.712 5.488 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.350 6.806 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.814 7.148 -5.989 1.00 0.00 H new ATOM 820 N THR A 55 -12.727 -0.917 -5.143 1.00 0.00 N ATOM 821 CA THR A 55 -12.835 -2.343 -5.084 1.00 0.00 C ATOM 822 C THR A 55 -11.552 -2.992 -4.532 1.00 0.00 C ATOM 823 O THR A 55 -11.622 -3.984 -3.791 1.00 0.00 O ATOM 824 CB THR A 55 -13.218 -2.949 -6.482 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.342 -4.388 -6.418 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.209 -2.578 -7.563 1.00 0.00 C ATOM 0 H THR A 55 -11.779 -0.577 -5.304 1.00 0.00 H new ATOM 0 HA THR A 55 -13.642 -2.573 -4.389 1.00 0.00 H new ATOM 0 HB THR A 55 -14.183 -2.518 -6.747 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.582 -4.735 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.514 -3.019 -8.512 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.166 -1.494 -7.664 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.225 -2.956 -7.287 1.00 0.00 H new ATOM 834 N VAL A 56 -10.400 -2.424 -4.837 1.00 0.00 N ATOM 835 CA VAL A 56 -9.135 -3.029 -4.458 1.00 0.00 C ATOM 836 C VAL A 56 -8.297 -2.163 -3.531 1.00 0.00 C ATOM 837 O VAL A 56 -8.403 -0.934 -3.545 1.00 0.00 O ATOM 838 CB VAL A 56 -8.278 -3.444 -5.683 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.872 -4.657 -6.368 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.135 -2.295 -6.678 1.00 0.00 C ATOM 0 H VAL A 56 -10.313 -1.544 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.425 -3.925 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.284 -3.700 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.255 -4.930 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.908 -5.490 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.881 -4.425 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.529 -2.620 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.121 -1.995 -7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.652 -1.449 -6.189 1.00 0.00 H new ATOM 850 N PRO A 57 -7.456 -2.814 -2.695 1.00 0.00 N ATOM 851 CA PRO A 57 -6.519 -2.131 -1.807 1.00 0.00 C ATOM 852 C PRO A 57 -5.555 -1.234 -2.588 1.00 0.00 C ATOM 853 O PRO A 57 -5.095 -1.583 -3.685 1.00 0.00 O ATOM 854 CB PRO A 57 -5.726 -3.285 -1.152 1.00 0.00 C ATOM 855 CG PRO A 57 -5.991 -4.471 -2.004 1.00 0.00 C ATOM 856 CD PRO A 57 -7.368 -4.275 -2.537 1.00 0.00 C ATOM 0 HA PRO A 57 -7.033 -1.486 -1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.661 -3.058 -1.113 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.053 -3.456 -0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.264 -4.545 -2.812 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.921 -5.393 -1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.511 -4.793 -3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.125 -4.653 -1.850 1.00 0.00 H new ATOM 864 N THR A 58 -5.292 -0.085 -2.060 1.00 0.00 N ATOM 865 CA THR A 58 -4.336 0.806 -2.654 1.00 0.00 C ATOM 866 C THR A 58 -3.322 1.151 -1.610 1.00 0.00 C ATOM 867 O THR A 58 -3.638 1.165 -0.414 1.00 0.00 O ATOM 868 CB THR A 58 -5.017 2.075 -3.204 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.099 1.654 -4.017 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.075 2.883 -4.081 1.00 0.00 C ATOM 0 H THR A 58 -5.729 0.267 -1.208 1.00 0.00 H new ATOM 0 HA THR A 58 -3.853 0.320 -3.502 1.00 0.00 H new ATOM 0 HB THR A 58 -5.332 2.696 -2.366 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.895 1.843 -4.957 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.591 3.769 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.205 3.186 -3.498 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.752 2.274 -4.925 1.00 0.00 H new ATOM 878 N VAL A 59 -2.127 1.365 -2.030 1.00 0.00 N ATOM 879 CA VAL A 59 -1.081 1.652 -1.140 1.00 0.00 C ATOM 880 C VAL A 59 -0.445 3.006 -1.487 1.00 0.00 C ATOM 881 O VAL A 59 -0.145 3.284 -2.659 1.00 0.00 O ATOM 882 CB VAL A 59 -0.066 0.490 -1.151 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.620 0.310 -2.491 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.907 0.632 -0.053 1.00 0.00 C ATOM 0 H VAL A 59 -1.854 1.344 -3.012 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.464 1.741 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.635 -0.425 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.321 -0.523 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.127 0.102 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.160 1.221 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.612 -0.199 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.448 1.571 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.381 0.629 0.902 1.00 0.00 H new ATOM 894 N LYS A 60 -0.328 3.860 -0.494 1.00 0.00 N ATOM 895 CA LYS A 60 0.250 5.184 -0.662 1.00 0.00 C ATOM 896 C LYS A 60 1.586 5.217 0.030 1.00 0.00 C ATOM 897 O LYS A 60 1.687 4.828 1.183 1.00 0.00 O ATOM 898 CB LYS A 60 -0.652 6.245 -0.022 1.00 0.00 C ATOM 899 CG LYS A 60 -0.214 7.692 -0.272 1.00 0.00 C ATOM 900 CD LYS A 60 -1.091 8.693 0.481 1.00 0.00 C ATOM 901 CE LYS A 60 -0.916 8.569 1.989 1.00 0.00 C ATOM 902 NZ LYS A 60 -1.797 9.491 2.740 1.00 0.00 N ATOM 0 H LYS A 60 -0.631 3.659 0.459 1.00 0.00 H new ATOM 0 HA LYS A 60 0.355 5.394 -1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.666 6.116 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.688 6.071 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.824 7.815 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.256 7.904 -1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.839 9.706 0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.137 8.529 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.126 7.543 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.123 8.772 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.354 9.730 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.942 10.360 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.714 9.032 2.911 1.00 0.00 H new ATOM 916 N PHE A 61 2.587 5.668 -0.648 1.00 0.00 N ATOM 917 CA PHE A 61 3.906 5.749 -0.071 1.00 0.00 C ATOM 918 C PHE A 61 4.166 7.114 0.516 1.00 0.00 C ATOM 919 O PHE A 61 3.436 8.069 0.230 1.00 0.00 O ATOM 920 CB PHE A 61 4.958 5.406 -1.102 1.00 0.00 C ATOM 921 CG PHE A 61 4.928 3.980 -1.524 1.00 0.00 C ATOM 922 CD1 PHE A 61 4.076 3.557 -2.525 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.757 3.057 -0.915 1.00 0.00 C ATOM 924 CE1 PHE A 61 4.050 2.246 -2.909 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.735 1.741 -1.301 1.00 0.00 C ATOM 926 CZ PHE A 61 4.880 1.339 -2.298 1.00 0.00 C ATOM 0 H PHE A 61 2.525 5.992 -1.613 1.00 0.00 H new ATOM 0 HA PHE A 61 3.961 5.022 0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.818 6.040 -1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.943 5.637 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.424 4.269 -3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.427 3.374 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.378 1.924 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.387 1.024 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.861 0.303 -2.603 1.00 0.00 H new ATOM 936 N ALA A 62 5.223 7.204 1.312 1.00 0.00 N ATOM 937 CA ALA A 62 5.629 8.433 1.996 1.00 0.00 C ATOM 938 C ALA A 62 6.022 9.555 1.025 1.00 0.00 C ATOM 939 O ALA A 62 6.128 10.721 1.424 1.00 0.00 O ATOM 940 CB ALA A 62 6.774 8.139 2.937 1.00 0.00 C ATOM 0 H ALA A 62 5.836 6.412 1.507 1.00 0.00 H new ATOM 0 HA ALA A 62 4.764 8.789 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.073 9.056 3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.458 7.403 3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.618 7.746 2.371 1.00 0.00 H new ATOM 946 N ASP A 63 6.270 9.211 -0.231 1.00 0.00 N ATOM 947 CA ASP A 63 6.592 10.226 -1.231 1.00 0.00 C ATOM 948 C ASP A 63 5.311 10.761 -1.857 1.00 0.00 C ATOM 949 O ASP A 63 5.338 11.704 -2.657 1.00 0.00 O ATOM 950 CB ASP A 63 7.547 9.707 -2.326 1.00 0.00 C ATOM 951 CG ASP A 63 6.925 8.682 -3.239 1.00 0.00 C ATOM 952 OD1 ASP A 63 6.939 7.504 -2.908 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.420 9.043 -4.317 1.00 0.00 O ATOM 0 H ASP A 63 6.256 8.253 -0.581 1.00 0.00 H new ATOM 0 HA ASP A 63 7.116 11.031 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.892 10.551 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.426 9.271 -1.852 1.00 0.00 H new ATOM 958 N GLY A 64 4.191 10.167 -1.487 1.00 0.00 N ATOM 959 CA GLY A 64 2.909 10.635 -1.941 1.00 0.00 C ATOM 960 C GLY A 64 2.428 9.985 -3.218 1.00 0.00 C ATOM 961 O GLY A 64 1.549 10.527 -3.893 1.00 0.00 O ATOM 0 H GLY A 64 4.151 9.356 -0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.172 10.459 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.961 11.713 -2.093 1.00 0.00 H new ATOM 965 N SER A 65 2.986 8.858 -3.573 1.00 0.00 N ATOM 966 CA SER A 65 2.537 8.159 -4.750 1.00 0.00 C ATOM 967 C SER A 65 1.748 6.914 -4.364 1.00 0.00 C ATOM 968 O SER A 65 1.969 6.334 -3.286 1.00 0.00 O ATOM 969 CB SER A 65 3.718 7.827 -5.671 1.00 0.00 C ATOM 970 OG SER A 65 4.742 7.137 -4.972 1.00 0.00 O ATOM 0 H SER A 65 3.748 8.406 -3.068 1.00 0.00 H new ATOM 0 HA SER A 65 1.866 8.811 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.371 7.217 -6.505 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.121 8.747 -6.095 1.00 0.00 H new ATOM 0 HG SER A 65 5.570 7.661 -5.003 1.00 0.00 H new ATOM 976 N THR A 66 0.809 6.541 -5.193 1.00 0.00 N ATOM 977 CA THR A 66 0.008 5.373 -4.969 1.00 0.00 C ATOM 978 C THR A 66 0.260 4.335 -6.029 1.00 0.00 C ATOM 979 O THR A 66 0.715 4.654 -7.131 1.00 0.00 O ATOM 980 CB THR A 66 -1.487 5.723 -5.001 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.749 6.664 -6.056 1.00 0.00 O ATOM 982 CG2 THR A 66 -1.970 6.250 -3.680 1.00 0.00 C ATOM 0 H THR A 66 0.579 7.046 -6.049 1.00 0.00 H new ATOM 0 HA THR A 66 0.283 4.981 -3.990 1.00 0.00 H new ATOM 0 HB THR A 66 -2.041 4.805 -5.198 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.705 6.881 -6.071 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.032 6.485 -3.748 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.814 5.496 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.415 7.152 -3.423 1.00 0.00 H new ATOM 990 N LEU A 67 0.021 3.112 -5.686 1.00 0.00 N ATOM 991 CA LEU A 67 0.003 2.041 -6.637 1.00 0.00 C ATOM 992 C LEU A 67 -1.254 1.257 -6.402 1.00 0.00 C ATOM 993 O LEU A 67 -1.553 0.889 -5.247 1.00 0.00 O ATOM 994 CB LEU A 67 1.218 1.095 -6.523 1.00 0.00 C ATOM 995 CG LEU A 67 2.612 1.644 -6.841 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.639 0.525 -6.737 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.654 2.253 -8.230 1.00 0.00 C ATOM 0 H LEU A 67 -0.170 2.821 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 67 0.046 2.474 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.240 0.707 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.039 0.246 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 67 2.847 2.426 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.630 0.918 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.633 0.118 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.391 -0.264 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.655 2.635 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.402 1.492 -8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.935 3.070 -8.291 1.00 0.00 H new ATOM 1009 N THR A 68 -2.022 1.066 -7.443 1.00 0.00 N ATOM 1010 CA THR A 68 -3.195 0.249 -7.373 1.00 0.00 C ATOM 1011 C THR A 68 -2.714 -1.200 -7.176 1.00 0.00 C ATOM 1012 O THR A 68 -1.773 -1.602 -7.856 1.00 0.00 O ATOM 1013 CB THR A 68 -3.975 0.394 -8.684 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.056 1.801 -9.007 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.385 -0.155 -8.536 1.00 0.00 C ATOM 0 H THR A 68 -1.848 1.475 -8.361 1.00 0.00 H new ATOM 0 HA THR A 68 -3.852 0.540 -6.554 1.00 0.00 H new ATOM 0 HB THR A 68 -3.464 -0.163 -9.469 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.851 2.188 -8.585 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.920 -0.042 -9.479 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.338 -1.211 -8.270 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.909 0.394 -7.753 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.377 -1.940 -6.252 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.979 -3.303 -5.750 1.00 0.00 C ATOM 1025 C ASN A 69 -1.777 -3.970 -6.445 1.00 0.00 C ATOM 1026 O ASN A 69 -1.913 -4.635 -7.493 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.178 -4.263 -5.675 1.00 0.00 C ATOM 1028 CG ASN A 69 -3.781 -5.660 -5.213 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -3.668 -5.918 -4.025 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -3.645 -6.581 -6.137 1.00 0.00 N ATOM 0 H ASN A 69 -4.234 -1.603 -5.814 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.618 -3.095 -4.743 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.923 -3.856 -4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.648 -4.329 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.439 -7.544 -5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.745 -6.334 -7.122 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.582 -3.736 -5.887 1.00 0.00 N ATOM 1038 CA PRO A 70 0.662 -4.307 -6.348 1.00 0.00 C ATOM 1039 C PRO A 70 1.106 -5.499 -5.501 1.00 0.00 C ATOM 1040 O PRO A 70 0.480 -5.844 -4.489 1.00 0.00 O ATOM 1041 CB PRO A 70 1.637 -3.143 -6.158 1.00 0.00 C ATOM 1042 CG PRO A 70 0.988 -2.229 -5.147 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.335 -2.828 -4.779 1.00 0.00 C ATOM 0 HA PRO A 70 0.594 -4.691 -7.366 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.605 -3.497 -5.802 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.814 -2.623 -7.099 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.619 -2.124 -4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.854 -1.231 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.293 -3.353 -3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.114 -2.071 -4.692 1.00 0.00 H new ATOM 1051 N SER A 71 2.146 -6.131 -5.928 1.00 0.00 N ATOM 1052 CA SER A 71 2.718 -7.222 -5.213 1.00 0.00 C ATOM 1053 C SER A 71 3.906 -6.717 -4.373 1.00 0.00 C ATOM 1054 O SER A 71 4.377 -5.580 -4.566 1.00 0.00 O ATOM 1055 CB SER A 71 3.158 -8.278 -6.212 1.00 0.00 C ATOM 1056 OG SER A 71 2.097 -8.596 -7.111 1.00 0.00 O ATOM 0 H SER A 71 2.630 -5.901 -6.796 1.00 0.00 H new ATOM 0 HA SER A 71 1.989 -7.663 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.021 -7.918 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.474 -9.177 -5.683 1.00 0.00 H new ATOM 0 HG SER A 71 2.036 -7.904 -7.803 1.00 0.00 H new ATOM 1062 N ALA A 72 4.386 -7.562 -3.472 1.00 0.00 N ATOM 1063 CA ALA A 72 5.445 -7.227 -2.510 1.00 0.00 C ATOM 1064 C ALA A 72 6.730 -6.682 -3.132 1.00 0.00 C ATOM 1065 O ALA A 72 7.278 -5.718 -2.635 1.00 0.00 O ATOM 1066 CB ALA A 72 5.739 -8.419 -1.630 1.00 0.00 C ATOM 0 H ALA A 72 4.049 -8.520 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 72 5.053 -6.404 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.525 -8.162 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.837 -8.701 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.067 -9.255 -2.248 1.00 0.00 H new ATOM 1072 N ASP A 73 7.201 -7.247 -4.215 1.00 0.00 N ATOM 1073 CA ASP A 73 8.474 -6.767 -4.756 1.00 0.00 C ATOM 1074 C ASP A 73 8.288 -5.484 -5.555 1.00 0.00 C ATOM 1075 O ASP A 73 9.176 -4.634 -5.594 1.00 0.00 O ATOM 1076 CB ASP A 73 9.231 -7.830 -5.556 1.00 0.00 C ATOM 1077 CG ASP A 73 10.607 -7.349 -5.978 1.00 0.00 C ATOM 1078 OD1 ASP A 73 11.565 -7.411 -5.151 1.00 0.00 O ATOM 1079 OD2 ASP A 73 10.763 -6.900 -7.131 1.00 0.00 O ATOM 0 H ASP A 73 6.756 -8.007 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 73 9.104 -6.539 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.331 -8.734 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.653 -8.098 -6.441 1.00 0.00 H new ATOM 1084 N GLU A 74 7.104 -5.321 -6.128 1.00 0.00 N ATOM 1085 CA GLU A 74 6.765 -4.119 -6.894 1.00 0.00 C ATOM 1086 C GLU A 74 6.808 -2.897 -5.987 1.00 0.00 C ATOM 1087 O GLU A 74 7.294 -1.831 -6.369 1.00 0.00 O ATOM 1088 CB GLU A 74 5.375 -4.243 -7.504 1.00 0.00 C ATOM 1089 CG GLU A 74 5.208 -5.431 -8.421 1.00 0.00 C ATOM 1090 CD GLU A 74 3.845 -5.477 -9.044 1.00 0.00 C ATOM 1091 OE1 GLU A 74 2.931 -6.074 -8.461 1.00 0.00 O ATOM 1092 OE2 GLU A 74 3.664 -4.915 -10.135 1.00 0.00 O ATOM 0 H GLU A 74 6.353 -6.009 -6.079 1.00 0.00 H new ATOM 0 HA GLU A 74 7.495 -4.008 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.642 -4.312 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.152 -3.333 -8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.963 -5.391 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.380 -6.349 -7.859 1.00 0.00 H new ATOM 1099 N VAL A 75 6.308 -3.063 -4.781 1.00 0.00 N ATOM 1100 CA VAL A 75 6.320 -1.996 -3.805 1.00 0.00 C ATOM 1101 C VAL A 75 7.699 -1.824 -3.161 1.00 0.00 C ATOM 1102 O VAL A 75 8.091 -0.700 -2.807 1.00 0.00 O ATOM 1103 CB VAL A 75 5.202 -2.135 -2.739 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.863 -1.849 -3.357 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.154 -3.522 -2.176 1.00 0.00 C ATOM 0 H VAL A 75 5.886 -3.932 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 75 6.101 -1.082 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 75 5.425 -1.424 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.084 -1.949 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.855 -0.834 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.677 -2.556 -4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.360 -3.585 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.958 -4.234 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.110 -3.758 -1.708 1.00 0.00 H new ATOM 1115 N LYS A 76 8.443 -2.932 -3.044 1.00 0.00 N ATOM 1116 CA LYS A 76 9.820 -2.912 -2.527 1.00 0.00 C ATOM 1117 C LYS A 76 10.695 -1.988 -3.352 1.00 0.00 C ATOM 1118 O LYS A 76 11.493 -1.232 -2.800 1.00 0.00 O ATOM 1119 CB LYS A 76 10.436 -4.321 -2.514 1.00 0.00 C ATOM 1120 CG LYS A 76 10.023 -5.197 -1.348 1.00 0.00 C ATOM 1121 CD LYS A 76 10.501 -6.673 -1.462 1.00 0.00 C ATOM 1122 CE LYS A 76 12.033 -6.867 -1.507 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.664 -6.475 -2.801 1.00 0.00 N ATOM 0 H LYS A 76 8.112 -3.861 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 76 9.772 -2.542 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.165 -4.827 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.522 -4.225 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.419 -4.768 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.936 -5.184 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.105 -7.233 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.069 -7.109 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.485 -6.284 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.261 -7.914 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.438 -7.133 -3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.952 -6.509 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.043 -5.509 -2.724 1.00 0.00 H new ATOM 1137 N ALA A 77 10.500 -2.031 -4.671 1.00 0.00 N ATOM 1138 CA ALA A 77 11.255 -1.217 -5.623 1.00 0.00 C ATOM 1139 C ALA A 77 11.156 0.278 -5.305 1.00 0.00 C ATOM 1140 O ALA A 77 12.107 1.032 -5.509 1.00 0.00 O ATOM 1141 CB ALA A 77 10.780 -1.489 -7.043 1.00 0.00 C ATOM 0 H ALA A 77 9.808 -2.637 -5.111 1.00 0.00 H new ATOM 0 HA ALA A 77 12.304 -1.500 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.350 -0.876 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.927 -2.543 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.721 -1.243 -7.126 1.00 0.00 H new ATOM 1147 N LYS A 78 10.009 0.703 -4.823 1.00 0.00 N ATOM 1148 CA LYS A 78 9.816 2.091 -4.449 1.00 0.00 C ATOM 1149 C LYS A 78 10.323 2.354 -3.042 1.00 0.00 C ATOM 1150 O LYS A 78 11.136 3.257 -2.816 1.00 0.00 O ATOM 1151 CB LYS A 78 8.348 2.486 -4.569 1.00 0.00 C ATOM 1152 CG LYS A 78 7.872 2.585 -6.007 1.00 0.00 C ATOM 1153 CD LYS A 78 6.370 2.781 -6.098 1.00 0.00 C ATOM 1154 CE LYS A 78 5.878 4.098 -5.504 1.00 0.00 C ATOM 1155 NZ LYS A 78 6.375 5.283 -6.222 1.00 0.00 N ATOM 0 H LYS A 78 9.193 0.108 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 78 10.396 2.705 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.737 1.754 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.195 3.446 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.376 3.417 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.152 1.679 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.070 2.732 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.875 1.956 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.788 4.107 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.189 4.157 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.819 6.116 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.375 5.439 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.282 5.132 -7.247 1.00 0.00 H new ATOM 1169 N LEU A 79 9.887 1.517 -2.116 1.00 0.00 N ATOM 1170 CA LEU A 79 10.174 1.660 -0.689 1.00 0.00 C ATOM 1171 C LEU A 79 11.683 1.709 -0.385 1.00 0.00 C ATOM 1172 O LEU A 79 12.123 2.498 0.469 1.00 0.00 O ATOM 1173 CB LEU A 79 9.492 0.524 0.091 1.00 0.00 C ATOM 1174 CG LEU A 79 9.640 0.541 1.615 1.00 0.00 C ATOM 1175 CD1 LEU A 79 9.052 1.816 2.215 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.979 -0.681 2.220 1.00 0.00 C ATOM 0 H LEU A 79 9.313 0.703 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 79 9.769 2.619 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.428 0.541 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.885 -0.424 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 79 10.704 0.521 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.173 1.798 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.571 2.683 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.992 1.879 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.092 -0.656 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.919 -0.685 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.450 -1.582 1.827 1.00 0.00 H new ATOM 1188 N VAL A 80 12.465 0.911 -1.104 1.00 0.00 N ATOM 1189 CA VAL A 80 13.913 0.845 -0.888 1.00 0.00 C ATOM 1190 C VAL A 80 14.593 2.199 -1.217 1.00 0.00 C ATOM 1191 O VAL A 80 15.568 2.600 -0.559 1.00 0.00 O ATOM 1192 CB VAL A 80 14.568 -0.335 -1.695 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.543 -0.116 -3.204 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.968 -0.651 -1.192 1.00 0.00 C ATOM 0 H VAL A 80 12.123 0.298 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 80 14.074 0.641 0.171 1.00 0.00 H new ATOM 0 HB VAL A 80 13.946 -1.211 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.010 -0.965 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.511 -0.020 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 80 15.091 0.794 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.387 -1.471 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.601 0.230 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.921 -0.939 -0.142 1.00 0.00 H new ATOM 1204 N LYS A 81 14.038 2.919 -2.183 1.00 0.00 N ATOM 1205 CA LYS A 81 14.575 4.206 -2.579 1.00 0.00 C ATOM 1206 C LYS A 81 14.105 5.293 -1.622 1.00 0.00 C ATOM 1207 O LYS A 81 14.906 6.128 -1.182 1.00 0.00 O ATOM 1208 CB LYS A 81 14.170 4.561 -4.015 1.00 0.00 C ATOM 1209 CG LYS A 81 14.678 3.604 -5.082 1.00 0.00 C ATOM 1210 CD LYS A 81 14.276 4.086 -6.468 1.00 0.00 C ATOM 1211 CE LYS A 81 14.734 3.134 -7.563 1.00 0.00 C ATOM 1212 NZ LYS A 81 16.202 3.029 -7.638 1.00 0.00 N ATOM 0 H LYS A 81 13.212 2.628 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 81 15.662 4.140 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.082 4.599 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.536 5.562 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.763 3.524 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.274 2.607 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.192 4.194 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.703 5.073 -6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.311 2.146 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.347 3.476 -8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.462 2.219 -8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.592 3.901 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.590 2.893 -6.683 1.00 0.00 H new ATOM 1226 N ILE A 82 12.809 5.253 -1.282 1.00 0.00 N ATOM 1227 CA ILE A 82 12.174 6.244 -0.389 1.00 0.00 C ATOM 1228 C ILE A 82 12.885 6.297 0.947 1.00 0.00 C ATOM 1229 O ILE A 82 13.319 7.368 1.395 1.00 0.00 O ATOM 1230 CB ILE A 82 10.688 5.897 -0.119 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.912 5.792 -1.419 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.043 6.949 0.797 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.502 5.307 -1.226 1.00 0.00 C ATOM 0 H ILE A 82 12.167 4.534 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 82 12.241 7.207 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 82 10.656 4.930 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.891 6.769 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.434 5.113 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.000 6.687 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.576 6.980 1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.095 7.928 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.000 5.254 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.517 4.317 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.965 5.998 -0.576 1.00 0.00 H new ATOM 1245 N ALA A 83 13.020 5.134 1.568 1.00 0.00 N ATOM 1246 CA ALA A 83 13.652 5.032 2.864 1.00 0.00 C ATOM 1247 C ALA A 83 15.131 5.322 2.753 1.00 0.00 C ATOM 1248 O ALA A 83 15.730 5.896 3.661 1.00 0.00 O ATOM 1249 CB ALA A 83 13.418 3.660 3.459 1.00 0.00 C ATOM 0 H ALA A 83 12.696 4.245 1.187 1.00 0.00 H new ATOM 0 HA ALA A 83 13.207 5.773 3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.900 3.599 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.347 3.490 3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.838 2.901 2.799 1.00 0.00 H new ATOM 1255 N GLY A 84 15.705 4.947 1.624 1.00 0.00 N ATOM 1256 CA GLY A 84 17.102 5.177 1.396 1.00 0.00 C ATOM 1257 C GLY A 84 17.950 4.095 1.991 1.00 0.00 C ATOM 1258 O GLY A 84 19.106 4.324 2.349 1.00 0.00 O ATOM 0 H GLY A 84 15.218 4.483 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.290 5.237 0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.386 6.138 1.824 1.00 0.00 H new ATOM 1262 N LEU A 85 17.384 2.920 2.094 1.00 0.00 N ATOM 1263 CA LEU A 85 18.090 1.787 2.630 1.00 0.00 C ATOM 1264 C LEU A 85 18.820 1.150 1.483 1.00 0.00 C ATOM 1265 O LEU A 85 18.180 0.786 0.492 1.00 0.00 O ATOM 1266 CB LEU A 85 17.112 0.770 3.206 1.00 0.00 C ATOM 1267 CG LEU A 85 16.113 1.264 4.237 1.00 0.00 C ATOM 1268 CD1 LEU A 85 15.166 0.134 4.594 1.00 0.00 C ATOM 1269 CD2 LEU A 85 16.825 1.788 5.476 1.00 0.00 C ATOM 0 H LEU A 85 16.424 2.723 1.810 1.00 0.00 H new ATOM 0 HA LEU A 85 18.766 2.105 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 85 16.553 0.335 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 85 17.691 -0.035 3.658 1.00 0.00 H new ATOM 0 HG LEU A 85 15.542 2.091 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.446 0.483 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.637 -0.194 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 85 15.734 -0.700 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.088 2.136 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.419 0.989 5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.479 2.615 5.198 1.00 0.00 H new ATOM 1281 N GLU A 86 20.138 1.042 1.597 1.00 0.00 N ATOM 1282 CA GLU A 86 20.982 0.492 0.539 1.00 0.00 C ATOM 1283 C GLU A 86 20.901 1.379 -0.712 1.00 0.00 C ATOM 1284 O GLU A 86 20.392 2.514 -0.654 1.00 0.00 O ATOM 1285 CB GLU A 86 20.574 -0.954 0.218 1.00 0.00 C ATOM 1286 CG GLU A 86 20.689 -1.900 1.396 1.00 0.00 C ATOM 1287 CD GLU A 86 20.229 -3.284 1.064 1.00 0.00 C ATOM 1288 OE1 GLU A 86 19.029 -3.569 1.198 1.00 0.00 O ATOM 1289 OE2 GLU A 86 21.061 -4.114 0.644 1.00 0.00 O ATOM 0 H GLU A 86 20.655 1.333 2.427 1.00 0.00 H new ATOM 0 HA GLU A 86 22.016 0.477 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.545 -0.960 -0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 86 21.197 -1.325 -0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.726 -1.935 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.099 -1.514 2.227 1.00 0.00 H new ATOM 1296 N HIS A 87 21.427 0.910 -1.801 1.00 0.00 N ATOM 1297 CA HIS A 87 21.337 1.624 -3.050 1.00 0.00 C ATOM 1298 C HIS A 87 20.844 0.696 -4.120 1.00 0.00 C ATOM 1299 O HIS A 87 21.590 -0.152 -4.614 1.00 0.00 O ATOM 1300 CB HIS A 87 22.677 2.248 -3.461 1.00 0.00 C ATOM 1301 CG HIS A 87 23.153 3.335 -2.551 1.00 0.00 C ATOM 1302 ND1 HIS A 87 24.260 3.232 -1.740 1.00 0.00 N ATOM 1303 CD2 HIS A 87 22.662 4.581 -2.353 1.00 0.00 C ATOM 1304 CE1 HIS A 87 24.410 4.383 -1.091 1.00 0.00 C ATOM 1305 NE2 HIS A 87 23.461 5.243 -1.430 1.00 0.00 N ATOM 0 H HIS A 87 21.931 0.025 -1.856 1.00 0.00 H new ATOM 0 HA HIS A 87 20.632 2.445 -2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 87 23.433 1.464 -3.499 1.00 0.00 H new ATOM 0 HB3 HIS A 87 22.584 2.649 -4.470 1.00 0.00 H new ATOM 0 HD2 HIS A 87 21.789 4.994 -2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 87 25.199 4.589 -0.383 1.00 0.00 H new ATOM 0 HE2 HIS A 87 23.342 6.195 -1.084 1.00 0.00 H new ATOM 1313 N HIS A 88 19.590 0.792 -4.417 1.00 0.00 N ATOM 1314 CA HIS A 88 18.991 -0.006 -5.450 1.00 0.00 C ATOM 1315 C HIS A 88 18.190 0.905 -6.324 1.00 0.00 C ATOM 1316 O HIS A 88 18.709 1.356 -7.372 1.00 0.00 O ATOM 1317 CB HIS A 88 18.113 -1.137 -4.868 1.00 0.00 C ATOM 1318 CG HIS A 88 18.885 -2.185 -4.107 1.00 0.00 C ATOM 1319 ND1 HIS A 88 19.081 -2.163 -2.740 1.00 0.00 N ATOM 1320 CD2 HIS A 88 19.525 -3.295 -4.554 1.00 0.00 C ATOM 1321 CE1 HIS A 88 19.819 -3.229 -2.408 1.00 0.00 C ATOM 1322 NE2 HIS A 88 20.116 -3.954 -3.473 1.00 0.00 N ATOM 0 H HIS A 88 18.943 1.428 -3.951 1.00 0.00 H new ATOM 0 HA HIS A 88 19.771 -0.498 -6.031 1.00 0.00 H new ATOM 0 HB2 HIS A 88 17.366 -0.699 -4.206 1.00 0.00 H new ATOM 0 HB3 HIS A 88 17.573 -1.619 -5.683 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.570 -3.618 -5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.131 -3.466 -1.402 1.00 0.00 H new ATOM 0 HE2 HIS A 88 20.663 -4.815 -3.500 1.00 0.00 H new TER 1330 HIS A 88