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 50 ASN : amide:sc= 1.86 K(o=1.1,f=-7.3!) USER MOD Set 1.2: A 58 THR OG1 : rot -120:sc= -0.747 USER MOD Set 2.1: A 27 ASN : amide:sc= -1.6 K(o=-0.62,f=-1.5!) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -163:sc= 0.973 (180deg=0.783) USER MOD Set 3.1: A 17 CYS SG : rot 180:sc= -0.353 USER MOD Set 3.2: A 21 LYS NZ :NH3+ 139:sc= 0.486 (180deg=-0.763) USER MOD Set 4.1: A 9 TYR OH : rot 30:sc= 0 USER MOD Set 4.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0229 (180deg=-0.302) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00173) 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 10 THR OG1 : rot 140:sc= -0.155 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.661 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 105:sc= -0.14 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 25 THR OG1 : rot 87:sc= 0.993 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=-0.43) USER MOD Single : A 39 ASN : amide:sc= 0.775 K(o=0.77,f=0) USER MOD Single : A 48 SER OG : rot 3:sc= 0.569 USER MOD Single : A 53 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 150:sc=0.000535 USER MOD Single : A 68 THR OG1 : rot -89:sc= 1.04 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= -0.761 (180deg=-1.17) USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= -0.188 (180deg=-0.985!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 88 HIS : no HE2:sc= -0.489 K(o=-0.49,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.270 12.137 6.862 1.00 0.00 N ATOM 2 CA MET A 1 10.637 11.847 5.570 1.00 0.00 C ATOM 3 C MET A 1 9.660 10.686 5.682 1.00 0.00 C ATOM 4 O MET A 1 8.528 10.765 5.203 1.00 0.00 O ATOM 5 CB MET A 1 11.692 11.525 4.505 1.00 0.00 C ATOM 6 CG MET A 1 11.095 11.096 3.168 1.00 0.00 C ATOM 7 SD MET A 1 12.341 10.638 1.949 1.00 0.00 S ATOM 8 CE MET A 1 13.141 12.214 1.666 1.00 0.00 C ATOM 0 H1 MET A 1 11.918 12.944 6.758 1.00 0.00 H new ATOM 0 H2 MET A 1 10.538 12.369 7.563 1.00 0.00 H new ATOM 0 H3 MET A 1 11.804 11.304 7.182 1.00 0.00 H new ATOM 0 HA MET A 1 10.088 12.740 5.271 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.319 12.403 4.349 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.341 10.731 4.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.427 10.250 3.330 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.489 11.910 2.770 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.744 12.159 0.759 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.385 12.991 1.552 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.783 12.454 2.514 1.00 0.00 H new ATOM 20 N VAL A 2 10.084 9.617 6.305 1.00 0.00 N ATOM 21 CA VAL A 2 9.270 8.445 6.409 1.00 0.00 C ATOM 22 C VAL A 2 8.970 8.110 7.828 1.00 0.00 C ATOM 23 O VAL A 2 9.848 7.805 8.629 1.00 0.00 O ATOM 24 CB VAL A 2 9.843 7.234 5.594 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.287 6.913 5.982 1.00 0.00 C ATOM 26 CG2 VAL A 2 8.970 5.996 5.738 1.00 0.00 C ATOM 0 H VAL A 2 10.998 9.539 6.750 1.00 0.00 H new ATOM 0 HA VAL A 2 8.315 8.677 5.939 1.00 0.00 H new ATOM 0 HB VAL A 2 9.837 7.537 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.643 6.068 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.917 7.781 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.332 6.661 7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.400 5.178 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.917 5.708 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.967 6.213 5.370 1.00 0.00 H new ATOM 36 N THR A 3 7.726 8.241 8.133 1.00 0.00 N ATOM 37 CA THR A 3 7.211 7.933 9.405 1.00 0.00 C ATOM 38 C THR A 3 6.516 6.571 9.309 1.00 0.00 C ATOM 39 O THR A 3 6.651 5.706 10.176 1.00 0.00 O ATOM 40 CB THR A 3 6.201 9.000 9.767 1.00 0.00 C ATOM 41 OG1 THR A 3 6.671 10.252 9.234 1.00 0.00 O ATOM 42 CG2 THR A 3 6.152 9.124 11.233 1.00 0.00 C ATOM 0 H THR A 3 7.022 8.577 7.476 1.00 0.00 H new ATOM 0 HA THR A 3 7.995 7.896 10.161 1.00 0.00 H new ATOM 0 HB THR A 3 5.218 8.745 9.371 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.032 10.962 9.454 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.428 9.890 11.509 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.855 8.170 11.669 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.137 9.404 11.608 1.00 0.00 H new ATOM 50 N ALA A 4 5.785 6.414 8.236 1.00 0.00 N ATOM 51 CA ALA A 4 5.135 5.197 7.880 1.00 0.00 C ATOM 52 C ALA A 4 5.539 4.923 6.462 1.00 0.00 C ATOM 53 O ALA A 4 5.471 5.828 5.627 1.00 0.00 O ATOM 54 CB ALA A 4 3.621 5.343 7.989 1.00 0.00 C ATOM 0 H ALA A 4 5.625 7.165 7.565 1.00 0.00 H new ATOM 0 HA ALA A 4 5.419 4.381 8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.144 4.403 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.353 5.599 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.282 6.132 7.318 1.00 0.00 H new ATOM 60 N ALA A 5 5.997 3.719 6.197 1.00 0.00 N ATOM 61 CA ALA A 5 6.507 3.349 4.880 1.00 0.00 C ATOM 62 C ALA A 5 5.430 3.487 3.802 1.00 0.00 C ATOM 63 O ALA A 5 5.615 4.197 2.795 1.00 0.00 O ATOM 64 CB ALA A 5 7.042 1.931 4.936 1.00 0.00 C ATOM 0 H ALA A 5 6.030 2.964 6.883 1.00 0.00 H new ATOM 0 HA ALA A 5 7.314 4.030 4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.425 1.648 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.846 1.874 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.240 1.251 5.223 1.00 0.00 H new ATOM 70 N LEU A 6 4.316 2.836 4.024 1.00 0.00 N ATOM 71 CA LEU A 6 3.198 2.887 3.125 1.00 0.00 C ATOM 72 C LEU A 6 1.925 2.706 3.918 1.00 0.00 C ATOM 73 O LEU A 6 1.878 1.899 4.858 1.00 0.00 O ATOM 74 CB LEU A 6 3.277 1.817 1.994 1.00 0.00 C ATOM 75 CG LEU A 6 3.288 0.323 2.410 1.00 0.00 C ATOM 76 CD1 LEU A 6 2.941 -0.544 1.230 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.648 -0.095 2.932 1.00 0.00 C ATOM 0 H LEU A 6 4.161 2.250 4.844 1.00 0.00 H new ATOM 0 HA LEU A 6 3.213 3.860 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.429 1.972 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.179 2.009 1.414 1.00 0.00 H new ATOM 0 HG LEU A 6 2.550 0.198 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.951 -1.591 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.948 -0.281 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.672 -0.388 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.621 -1.147 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.397 0.053 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.905 0.508 3.803 1.00 0.00 H new ATOM 89 N THR A 7 0.936 3.480 3.591 1.00 0.00 N ATOM 90 CA THR A 7 -0.347 3.385 4.215 1.00 0.00 C ATOM 91 C THR A 7 -1.305 2.674 3.261 1.00 0.00 C ATOM 92 O THR A 7 -1.524 3.127 2.129 1.00 0.00 O ATOM 93 CB THR A 7 -0.877 4.785 4.560 1.00 0.00 C ATOM 94 OG1 THR A 7 0.162 5.497 5.262 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.107 4.684 5.456 1.00 0.00 C ATOM 0 H THR A 7 0.998 4.204 2.875 1.00 0.00 H new ATOM 0 HA THR A 7 -0.264 2.817 5.142 1.00 0.00 H new ATOM 0 HB THR A 7 -1.156 5.306 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.155 6.396 5.491 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.469 5.685 5.691 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.889 4.127 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.843 4.168 6.379 1.00 0.00 H new ATOM 103 N ILE A 8 -1.817 1.565 3.699 1.00 0.00 N ATOM 104 CA ILE A 8 -2.699 0.745 2.921 1.00 0.00 C ATOM 105 C ILE A 8 -4.147 1.165 3.108 1.00 0.00 C ATOM 106 O ILE A 8 -4.658 1.203 4.234 1.00 0.00 O ATOM 107 CB ILE A 8 -2.539 -0.755 3.307 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.139 -1.268 2.968 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.612 -1.612 2.665 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.875 -2.673 3.453 1.00 0.00 C ATOM 0 H ILE A 8 -1.629 1.194 4.631 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.429 0.877 1.873 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.666 -0.831 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.001 -1.234 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.400 -0.597 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.469 -2.653 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.594 -1.274 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.545 -1.526 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.137 -2.969 3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.980 -2.709 4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.591 -3.356 2.996 1.00 0.00 H new ATOM 122 N TYR A 9 -4.782 1.497 2.014 1.00 0.00 N ATOM 123 CA TYR A 9 -6.187 1.791 2.006 1.00 0.00 C ATOM 124 C TYR A 9 -6.912 0.611 1.457 1.00 0.00 C ATOM 125 O TYR A 9 -6.622 0.166 0.342 1.00 0.00 O ATOM 126 CB TYR A 9 -6.509 3.015 1.167 1.00 0.00 C ATOM 127 CG TYR A 9 -5.889 4.289 1.646 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.181 4.797 2.903 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.018 4.990 0.840 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.617 5.970 3.343 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.452 6.159 1.263 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.748 6.652 2.513 1.00 0.00 C ATOM 133 OH TYR A 9 -4.176 7.836 2.928 1.00 0.00 O ATOM 0 H TYR A 9 -4.335 1.571 1.100 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.500 2.004 3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.182 2.832 0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.591 3.143 1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.863 4.262 3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.779 4.609 -0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.850 6.354 4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.773 6.696 0.617 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.075 7.826 3.903 1.00 0.00 H new ATOM 143 N THR A 10 -7.808 0.083 2.233 1.00 0.00 N ATOM 144 CA THR A 10 -8.572 -1.056 1.846 1.00 0.00 C ATOM 145 C THR A 10 -9.770 -1.162 2.764 1.00 0.00 C ATOM 146 O THR A 10 -9.886 -0.399 3.741 1.00 0.00 O ATOM 147 CB THR A 10 -7.707 -2.368 1.937 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.437 -3.519 1.469 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.220 -2.618 3.364 1.00 0.00 C ATOM 0 H THR A 10 -8.030 0.437 3.163 1.00 0.00 H new ATOM 0 HA THR A 10 -8.897 -0.941 0.812 1.00 0.00 H new ATOM 0 HB THR A 10 -6.842 -2.217 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.840 -4.095 0.947 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.626 -3.532 3.391 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.608 -1.778 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.078 -2.723 4.028 1.00 0.00 H new ATOM 157 N THR A 11 -10.648 -2.044 2.430 1.00 0.00 N ATOM 158 CA THR A 11 -11.758 -2.376 3.232 1.00 0.00 C ATOM 159 C THR A 11 -11.503 -3.749 3.835 1.00 0.00 C ATOM 160 O THR A 11 -10.795 -4.575 3.220 1.00 0.00 O ATOM 161 CB THR A 11 -13.020 -2.411 2.363 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.725 -3.090 1.127 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.519 -1.014 2.070 1.00 0.00 C ATOM 0 H THR A 11 -10.604 -2.569 1.557 1.00 0.00 H new ATOM 0 HA THR A 11 -11.899 -1.639 4.022 1.00 0.00 H new ATOM 0 HB THR A 11 -13.801 -2.943 2.905 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.530 -3.117 0.568 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.415 -1.070 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.755 -0.508 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.747 -0.456 1.540 1.00 0.00 H new ATOM 171 N SER A 12 -12.019 -3.996 5.016 1.00 0.00 N ATOM 172 CA SER A 12 -11.860 -5.288 5.651 1.00 0.00 C ATOM 173 C SER A 12 -12.628 -6.370 4.875 1.00 0.00 C ATOM 174 O SER A 12 -12.309 -7.558 4.976 1.00 0.00 O ATOM 175 CB SER A 12 -12.303 -5.231 7.130 1.00 0.00 C ATOM 176 OG SER A 12 -12.061 -6.466 7.808 1.00 0.00 O ATOM 0 H SER A 12 -12.554 -3.319 5.560 1.00 0.00 H new ATOM 0 HA SER A 12 -10.803 -5.553 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.769 -4.428 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.365 -4.991 7.182 1.00 0.00 H new ATOM 0 HG SER A 12 -12.353 -6.390 8.740 1.00 0.00 H new ATOM 182 N TRP A 13 -13.610 -5.953 4.080 1.00 0.00 N ATOM 183 CA TRP A 13 -14.390 -6.890 3.281 1.00 0.00 C ATOM 184 C TRP A 13 -13.750 -7.162 1.918 1.00 0.00 C ATOM 185 O TRP A 13 -14.331 -7.855 1.079 1.00 0.00 O ATOM 186 CB TRP A 13 -15.861 -6.435 3.127 1.00 0.00 C ATOM 187 CG TRP A 13 -16.060 -5.033 2.605 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.296 -3.924 3.352 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.055 -4.590 1.232 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.440 -2.830 2.547 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.295 -3.206 1.245 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.864 -5.223 0.000 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.356 -2.448 0.080 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.923 -4.471 -1.151 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.164 -3.099 -1.104 1.00 0.00 C ATOM 0 H TRP A 13 -13.883 -4.976 3.973 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.393 -7.832 3.830 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.368 -7.128 2.456 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.350 -6.515 4.098 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.361 -3.909 4.430 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.627 -1.881 2.870 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.673 -6.285 -0.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -16.548 -1.386 0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.780 -4.952 -2.107 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.200 -2.538 -2.026 1.00 0.00 H new ATOM 206 N CYS A 14 -12.570 -6.623 1.696 1.00 0.00 N ATOM 207 CA CYS A 14 -11.872 -6.846 0.455 1.00 0.00 C ATOM 208 C CYS A 14 -11.072 -8.139 0.551 1.00 0.00 C ATOM 209 O CYS A 14 -10.370 -8.381 1.550 1.00 0.00 O ATOM 210 CB CYS A 14 -10.947 -5.661 0.115 1.00 0.00 C ATOM 211 SG CYS A 14 -10.056 -5.832 -1.453 1.00 0.00 S ATOM 0 H CYS A 14 -12.077 -6.028 2.361 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.604 -6.932 -0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.543 -4.749 0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.222 -5.540 0.920 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.595 -5.056 -2.345 1.00 0.00 H new ATOM 217 N GLY A 15 -11.188 -8.972 -0.458 1.00 0.00 N ATOM 218 CA GLY A 15 -10.454 -10.206 -0.490 1.00 0.00 C ATOM 219 C GLY A 15 -8.996 -9.957 -0.791 1.00 0.00 C ATOM 220 O GLY A 15 -8.123 -10.643 -0.281 1.00 0.00 O ATOM 0 H GLY A 15 -11.787 -8.812 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.550 -10.716 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.878 -10.867 -1.246 1.00 0.00 H new ATOM 224 N TYR A 16 -8.723 -8.936 -1.592 1.00 0.00 N ATOM 225 CA TYR A 16 -7.349 -8.586 -1.935 1.00 0.00 C ATOM 226 C TYR A 16 -6.576 -8.063 -0.745 1.00 0.00 C ATOM 227 O TYR A 16 -5.348 -8.048 -0.766 1.00 0.00 O ATOM 228 CB TYR A 16 -7.268 -7.588 -3.077 1.00 0.00 C ATOM 229 CG TYR A 16 -7.543 -8.158 -4.431 1.00 0.00 C ATOM 230 CD1 TYR A 16 -6.647 -9.044 -5.012 1.00 0.00 C ATOM 231 CD2 TYR A 16 -8.683 -7.809 -5.138 1.00 0.00 C ATOM 232 CE1 TYR A 16 -6.882 -9.565 -6.265 1.00 0.00 C ATOM 233 CE2 TYR A 16 -8.924 -8.323 -6.393 1.00 0.00 C ATOM 234 CZ TYR A 16 -8.022 -9.200 -6.952 1.00 0.00 C ATOM 235 OH TYR A 16 -8.255 -9.705 -8.210 1.00 0.00 O ATOM 0 H TYR A 16 -9.431 -8.337 -2.016 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.888 -9.517 -2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.977 -6.782 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.273 -7.143 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.754 -9.329 -4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.393 -7.124 -4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.179 -10.255 -6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.814 -8.040 -6.935 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.101 -9.349 -8.554 1.00 0.00 H new ATOM 245 N CYS A 17 -7.296 -7.660 0.291 1.00 0.00 N ATOM 246 CA CYS A 17 -6.695 -7.142 1.501 1.00 0.00 C ATOM 247 C CYS A 17 -5.736 -8.162 2.092 1.00 0.00 C ATOM 248 O CYS A 17 -4.539 -7.904 2.218 1.00 0.00 O ATOM 249 CB CYS A 17 -7.781 -6.734 2.512 1.00 0.00 C ATOM 250 SG CYS A 17 -7.171 -6.072 4.078 1.00 0.00 S ATOM 0 H CYS A 17 -8.315 -7.685 0.312 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.122 -6.248 1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.424 -5.987 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.403 -7.604 2.722 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.178 -5.764 4.841 1.00 0.00 H new ATOM 256 N LEU A 18 -6.245 -9.341 2.356 1.00 0.00 N ATOM 257 CA LEU A 18 -5.450 -10.398 2.950 1.00 0.00 C ATOM 258 C LEU A 18 -4.419 -10.986 1.972 1.00 0.00 C ATOM 259 O LEU A 18 -3.405 -11.559 2.397 1.00 0.00 O ATOM 260 CB LEU A 18 -6.354 -11.456 3.613 1.00 0.00 C ATOM 261 CG LEU A 18 -7.531 -11.999 2.786 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.072 -12.896 1.661 1.00 0.00 C ATOM 263 CD2 LEU A 18 -8.526 -12.699 3.675 1.00 0.00 C ATOM 0 H LEU A 18 -7.214 -9.598 2.168 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.849 -9.959 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.728 -12.300 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.756 -11.028 4.531 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.026 -11.146 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.938 -13.255 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.419 -12.336 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.527 -13.746 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.351 -13.076 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.038 -13.531 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.909 -11.997 4.415 1.00 0.00 H new ATOM 275 N ARG A 19 -4.669 -10.810 0.670 1.00 0.00 N ATOM 276 CA ARG A 19 -3.735 -11.260 -0.368 1.00 0.00 C ATOM 277 C ARG A 19 -2.464 -10.455 -0.234 1.00 0.00 C ATOM 278 O ARG A 19 -1.361 -10.995 -0.091 1.00 0.00 O ATOM 279 CB ARG A 19 -4.325 -11.051 -1.776 1.00 0.00 C ATOM 280 CG ARG A 19 -5.661 -11.733 -2.011 1.00 0.00 C ATOM 281 CD ARG A 19 -5.588 -13.237 -1.843 1.00 0.00 C ATOM 282 NE ARG A 19 -6.917 -13.840 -1.956 1.00 0.00 N ATOM 283 CZ ARG A 19 -7.234 -15.094 -1.597 1.00 0.00 C ATOM 284 NH1 ARG A 19 -6.309 -15.915 -1.092 1.00 0.00 N ATOM 285 NH2 ARG A 19 -8.479 -15.518 -1.728 1.00 0.00 N ATOM 0 H ARG A 19 -5.510 -10.359 0.310 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.541 -12.325 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.443 -9.982 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.610 -11.418 -2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.397 -11.329 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.011 -11.501 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.927 -13.660 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.156 -13.478 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.663 -13.260 -2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.349 -15.591 -0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.563 -16.866 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.194 -14.893 -2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.725 -16.470 -1.457 1.00 0.00 H new ATOM 299 N LEU A 20 -2.658 -9.158 -0.191 1.00 0.00 N ATOM 300 CA LEU A 20 -1.602 -8.198 -0.057 1.00 0.00 C ATOM 301 C LEU A 20 -0.873 -8.338 1.289 1.00 0.00 C ATOM 302 O LEU A 20 0.362 -8.237 1.350 1.00 0.00 O ATOM 303 CB LEU A 20 -2.191 -6.805 -0.207 1.00 0.00 C ATOM 304 CG LEU A 20 -1.267 -5.649 0.092 1.00 0.00 C ATOM 305 CD1 LEU A 20 -0.092 -5.597 -0.889 1.00 0.00 C ATOM 306 CD2 LEU A 20 -2.040 -4.358 0.097 1.00 0.00 C ATOM 0 H LEU A 20 -3.584 -8.735 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.861 -8.376 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.555 -6.696 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.058 -6.728 0.450 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.841 -5.799 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.551 -4.752 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.481 -6.522 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.471 -5.480 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.365 -3.530 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.500 -4.205 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.817 -4.402 0.861 1.00 0.00 H new ATOM 318 N LYS A 21 -1.631 -8.582 2.364 1.00 0.00 N ATOM 319 CA LYS A 21 -1.029 -8.745 3.699 1.00 0.00 C ATOM 320 C LYS A 21 -0.060 -9.923 3.694 1.00 0.00 C ATOM 321 O LYS A 21 1.038 -9.836 4.251 1.00 0.00 O ATOM 322 CB LYS A 21 -2.085 -8.967 4.796 1.00 0.00 C ATOM 323 CG LYS A 21 -3.176 -7.912 4.884 1.00 0.00 C ATOM 324 CD LYS A 21 -2.644 -6.503 5.085 1.00 0.00 C ATOM 325 CE LYS A 21 -3.793 -5.502 5.143 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.735 -5.790 6.253 1.00 0.00 N ATOM 0 H LYS A 21 -2.647 -8.670 2.341 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.501 -7.819 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.555 -9.937 4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.577 -9.019 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.771 -7.940 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.844 -8.160 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.065 -6.455 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.968 -6.243 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.390 -4.496 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.334 -5.518 4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.019 -4.899 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.577 -6.271 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.270 -6.403 6.953 1.00 0.00 H new ATOM 340 N THR A 22 -0.461 -11.005 3.026 1.00 0.00 N ATOM 341 CA THR A 22 0.364 -12.191 2.906 1.00 0.00 C ATOM 342 C THR A 22 1.690 -11.843 2.205 1.00 0.00 C ATOM 343 O THR A 22 2.770 -12.210 2.675 1.00 0.00 O ATOM 344 CB THR A 22 -0.379 -13.295 2.100 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.632 -13.635 2.748 1.00 0.00 O ATOM 346 CG2 THR A 22 0.476 -14.556 1.957 1.00 0.00 C ATOM 0 H THR A 22 -1.364 -11.077 2.557 1.00 0.00 H new ATOM 0 HA THR A 22 0.573 -12.567 3.908 1.00 0.00 H new ATOM 0 HB THR A 22 -0.576 -12.897 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.313 -12.972 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.074 -15.306 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.401 -14.311 1.435 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.711 -14.950 2.946 1.00 0.00 H new ATOM 354 N ALA A 23 1.587 -11.083 1.127 1.00 0.00 N ATOM 355 CA ALA A 23 2.733 -10.702 0.332 1.00 0.00 C ATOM 356 C ALA A 23 3.713 -9.844 1.130 1.00 0.00 C ATOM 357 O ALA A 23 4.908 -10.162 1.207 1.00 0.00 O ATOM 358 CB ALA A 23 2.278 -9.975 -0.929 1.00 0.00 C ATOM 0 H ALA A 23 0.701 -10.714 0.781 1.00 0.00 H new ATOM 0 HA ALA A 23 3.260 -11.611 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.149 -9.693 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.638 -10.633 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.722 -9.080 -0.652 1.00 0.00 H new ATOM 364 N LEU A 24 3.208 -8.795 1.757 1.00 0.00 N ATOM 365 CA LEU A 24 4.069 -7.860 2.485 1.00 0.00 C ATOM 366 C LEU A 24 4.736 -8.505 3.687 1.00 0.00 C ATOM 367 O LEU A 24 5.939 -8.325 3.901 1.00 0.00 O ATOM 368 CB LEU A 24 3.322 -6.606 2.927 1.00 0.00 C ATOM 369 CG LEU A 24 2.649 -5.741 1.850 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.069 -4.502 2.485 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.609 -5.334 0.748 1.00 0.00 C ATOM 0 H LEU A 24 2.215 -8.565 1.781 1.00 0.00 H new ATOM 0 HA LEU A 24 4.844 -7.568 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.553 -6.910 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.025 -5.974 3.469 1.00 0.00 H new ATOM 0 HG LEU A 24 1.863 -6.345 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.592 -3.890 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.330 -4.789 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.865 -3.931 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.082 -4.725 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.430 -4.759 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.005 -6.226 0.262 1.00 0.00 H new ATOM 383 N THR A 25 3.980 -9.260 4.449 1.00 0.00 N ATOM 384 CA THR A 25 4.502 -9.917 5.627 1.00 0.00 C ATOM 385 C THR A 25 5.584 -10.953 5.238 1.00 0.00 C ATOM 386 O THR A 25 6.596 -11.098 5.929 1.00 0.00 O ATOM 387 CB THR A 25 3.353 -10.570 6.421 1.00 0.00 C ATOM 388 OG1 THR A 25 2.353 -9.569 6.688 1.00 0.00 O ATOM 389 CG2 THR A 25 3.849 -11.148 7.744 1.00 0.00 C ATOM 0 H THR A 25 2.991 -9.436 4.272 1.00 0.00 H new ATOM 0 HA THR A 25 4.976 -9.174 6.268 1.00 0.00 H new ATOM 0 HB THR A 25 2.939 -11.386 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.733 -9.516 5.931 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.014 -11.601 8.279 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.608 -11.905 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.279 -10.351 8.351 1.00 0.00 H new ATOM 397 N ALA A 26 5.400 -11.592 4.081 1.00 0.00 N ATOM 398 CA ALA A 26 6.362 -12.562 3.558 1.00 0.00 C ATOM 399 C ALA A 26 7.693 -11.888 3.211 1.00 0.00 C ATOM 400 O ALA A 26 8.743 -12.524 3.187 1.00 0.00 O ATOM 401 CB ALA A 26 5.799 -13.253 2.328 1.00 0.00 C ATOM 0 H ALA A 26 4.585 -11.452 3.484 1.00 0.00 H new ATOM 0 HA ALA A 26 6.544 -13.304 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.526 -13.972 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.878 -13.773 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.589 -12.511 1.558 1.00 0.00 H new ATOM 407 N ASN A 27 7.647 -10.600 2.927 1.00 0.00 N ATOM 408 CA ASN A 27 8.860 -9.847 2.614 1.00 0.00 C ATOM 409 C ASN A 27 9.279 -8.989 3.793 1.00 0.00 C ATOM 410 O ASN A 27 10.183 -8.158 3.673 1.00 0.00 O ATOM 411 CB ASN A 27 8.719 -8.973 1.345 1.00 0.00 C ATOM 412 CG ASN A 27 8.662 -9.746 0.025 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.191 -9.286 -0.990 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.958 -10.853 -0.009 1.00 0.00 N ATOM 0 H ASN A 27 6.789 -10.049 2.905 1.00 0.00 H new ATOM 0 HA ASN A 27 9.635 -10.586 2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.814 -8.373 1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.559 -8.279 1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.838 -11.354 -0.889 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.531 -11.212 0.845 1.00 0.00 H new ATOM 421 N ARG A 28 8.616 -9.204 4.944 1.00 0.00 N ATOM 422 CA ARG A 28 8.894 -8.481 6.199 1.00 0.00 C ATOM 423 C ARG A 28 8.808 -6.962 5.998 1.00 0.00 C ATOM 424 O ARG A 28 9.611 -6.195 6.536 1.00 0.00 O ATOM 425 CB ARG A 28 10.269 -8.873 6.750 1.00 0.00 C ATOM 426 CG ARG A 28 10.400 -10.334 7.145 1.00 0.00 C ATOM 427 CD ARG A 28 11.808 -10.637 7.625 1.00 0.00 C ATOM 428 NE ARG A 28 12.188 -9.820 8.789 1.00 0.00 N ATOM 429 CZ ARG A 28 13.436 -9.402 9.065 1.00 0.00 C ATOM 430 NH1 ARG A 28 14.444 -9.719 8.256 1.00 0.00 N ATOM 431 NH2 ARG A 28 13.671 -8.669 10.145 1.00 0.00 N ATOM 0 H ARG A 28 7.866 -9.890 5.030 1.00 0.00 H new ATOM 0 HA ARG A 28 8.132 -8.765 6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.025 -8.644 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.487 -8.254 7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.684 -10.568 7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.156 -10.969 6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.882 -11.693 7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.513 -10.459 6.813 1.00 0.00 H new ATOM 0 HE ARG A 28 11.447 -9.550 9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.272 -10.281 7.423 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.389 -9.400 8.469 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.904 -8.421 10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.619 -8.354 10.351 1.00 0.00 H new ATOM 445 N ILE A 29 7.827 -6.535 5.249 1.00 0.00 N ATOM 446 CA ILE A 29 7.665 -5.133 4.939 1.00 0.00 C ATOM 447 C ILE A 29 6.904 -4.414 6.057 1.00 0.00 C ATOM 448 O ILE A 29 5.961 -4.967 6.646 1.00 0.00 O ATOM 449 CB ILE A 29 6.959 -4.957 3.562 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.803 -5.645 2.479 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.751 -3.477 3.219 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.187 -5.661 1.106 1.00 0.00 C ATOM 0 H ILE A 29 7.119 -7.143 4.837 1.00 0.00 H new ATOM 0 HA ILE A 29 8.652 -4.676 4.868 1.00 0.00 H new ATOM 0 HB ILE A 29 5.972 -5.417 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.770 -5.145 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.994 -6.673 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.256 -3.394 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.132 -3.010 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.717 -2.974 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.858 -6.168 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.234 -6.189 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.022 -4.638 0.769 1.00 0.00 H new ATOM 464 N ALA A 30 7.359 -3.223 6.387 1.00 0.00 N ATOM 465 CA ALA A 30 6.719 -2.399 7.380 1.00 0.00 C ATOM 466 C ALA A 30 5.595 -1.638 6.721 1.00 0.00 C ATOM 467 O ALA A 30 5.827 -0.882 5.790 1.00 0.00 O ATOM 468 CB ALA A 30 7.726 -1.430 7.979 1.00 0.00 C ATOM 0 H ALA A 30 8.188 -2.801 5.969 1.00 0.00 H new ATOM 0 HA ALA A 30 6.323 -3.023 8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.234 -0.811 8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.536 -1.990 8.446 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.131 -0.794 7.192 1.00 0.00 H new ATOM 474 N TYR A 31 4.391 -1.844 7.170 1.00 0.00 N ATOM 475 CA TYR A 31 3.264 -1.184 6.567 1.00 0.00 C ATOM 476 C TYR A 31 2.312 -0.679 7.619 1.00 0.00 C ATOM 477 O TYR A 31 2.439 -1.024 8.798 1.00 0.00 O ATOM 478 CB TYR A 31 2.537 -2.109 5.558 1.00 0.00 C ATOM 479 CG TYR A 31 1.942 -3.393 6.141 1.00 0.00 C ATOM 480 CD1 TYR A 31 0.654 -3.410 6.678 1.00 0.00 C ATOM 481 CD2 TYR A 31 2.654 -4.587 6.126 1.00 0.00 C ATOM 482 CE1 TYR A 31 0.100 -4.571 7.183 1.00 0.00 C ATOM 483 CE2 TYR A 31 2.105 -5.759 6.627 1.00 0.00 C ATOM 484 CZ TYR A 31 0.827 -5.744 7.154 1.00 0.00 C ATOM 485 OH TYR A 31 0.272 -6.911 7.657 1.00 0.00 O ATOM 0 H TYR A 31 4.162 -2.461 7.949 1.00 0.00 H new ATOM 0 HA TYR A 31 3.642 -0.326 6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.735 -1.541 5.086 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.241 -2.381 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.078 -2.497 6.699 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.653 -4.603 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.897 -4.561 7.598 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.673 -6.677 6.605 1.00 0.00 H new ATOM 0 HH TYR A 31 0.913 -7.646 7.561 1.00 0.00 H new ATOM 495 N ASP A 32 1.387 0.138 7.199 1.00 0.00 N ATOM 496 CA ASP A 32 0.352 0.668 8.058 1.00 0.00 C ATOM 497 C ASP A 32 -0.951 0.533 7.311 1.00 0.00 C ATOM 498 O ASP A 32 -0.967 0.686 6.095 1.00 0.00 O ATOM 499 CB ASP A 32 0.620 2.142 8.378 1.00 0.00 C ATOM 500 CG ASP A 32 -0.372 2.717 9.361 1.00 0.00 C ATOM 501 OD1 ASP A 32 -0.167 2.570 10.581 1.00 0.00 O ATOM 502 OD2 ASP A 32 -1.342 3.349 8.955 1.00 0.00 O ATOM 0 H ASP A 32 1.325 0.463 6.234 1.00 0.00 H new ATOM 0 HA ASP A 32 0.323 0.125 9.003 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.627 2.244 8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.588 2.721 7.455 1.00 0.00 H new ATOM 507 N GLU A 33 -2.008 0.214 7.992 1.00 0.00 N ATOM 508 CA GLU A 33 -3.280 0.012 7.352 1.00 0.00 C ATOM 509 C GLU A 33 -4.371 0.744 8.102 1.00 0.00 C ATOM 510 O GLU A 33 -4.386 0.763 9.339 1.00 0.00 O ATOM 511 CB GLU A 33 -3.596 -1.493 7.239 1.00 0.00 C ATOM 512 CG GLU A 33 -3.610 -2.243 8.566 1.00 0.00 C ATOM 513 CD GLU A 33 -3.965 -3.689 8.395 1.00 0.00 C ATOM 514 OE1 GLU A 33 -5.152 -4.023 8.341 1.00 0.00 O ATOM 515 OE2 GLU A 33 -3.062 -4.543 8.285 1.00 0.00 O ATOM 0 H GLU A 33 -2.018 0.086 9.004 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.232 0.421 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.568 -1.611 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.859 -1.957 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.630 -2.164 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.326 -1.772 9.240 1.00 0.00 H new ATOM 522 N VAL A 34 -5.243 1.370 7.360 1.00 0.00 N ATOM 523 CA VAL A 34 -6.374 2.076 7.905 1.00 0.00 C ATOM 524 C VAL A 34 -7.562 1.749 7.012 1.00 0.00 C ATOM 525 O VAL A 34 -7.388 1.595 5.790 1.00 0.00 O ATOM 526 CB VAL A 34 -6.103 3.629 7.990 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.843 4.259 6.634 1.00 0.00 C ATOM 528 CG2 VAL A 34 -7.227 4.357 8.695 1.00 0.00 C ATOM 0 H VAL A 34 -5.188 1.405 6.342 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.572 1.763 8.930 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.193 3.736 8.580 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.664 5.327 6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.968 3.794 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.710 4.109 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.003 5.423 8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.159 4.201 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.330 3.972 9.709 1.00 0.00 H new ATOM 538 N ASP A 35 -8.741 1.585 7.573 1.00 0.00 N ATOM 539 CA ASP A 35 -9.850 1.182 6.741 1.00 0.00 C ATOM 540 C ASP A 35 -10.537 2.411 6.184 1.00 0.00 C ATOM 541 O ASP A 35 -10.692 3.442 6.874 1.00 0.00 O ATOM 542 CB ASP A 35 -10.849 0.326 7.522 1.00 0.00 C ATOM 543 CG ASP A 35 -11.779 -0.470 6.619 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.602 0.113 5.920 1.00 0.00 O ATOM 545 OD2 ASP A 35 -11.684 -1.711 6.608 1.00 0.00 O ATOM 0 H ASP A 35 -8.951 1.718 8.562 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.464 0.576 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.303 -0.361 8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.443 0.970 8.170 1.00 0.00 H new ATOM 550 N ILE A 36 -10.953 2.315 4.961 1.00 0.00 N ATOM 551 CA ILE A 36 -11.590 3.411 4.272 1.00 0.00 C ATOM 552 C ILE A 36 -13.078 3.501 4.565 1.00 0.00 C ATOM 553 O ILE A 36 -13.747 4.446 4.150 1.00 0.00 O ATOM 554 CB ILE A 36 -11.347 3.353 2.768 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.981 2.090 2.174 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.850 3.389 2.517 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.911 2.002 0.669 1.00 0.00 C ATOM 0 H ILE A 36 -10.863 1.468 4.400 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.125 4.317 4.660 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.811 4.210 2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.487 1.216 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.026 2.046 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.660 3.348 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.435 4.311 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.379 2.534 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.383 1.078 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.431 2.853 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.868 2.011 0.352 1.00 0.00 H new ATOM 569 N GLU A 37 -13.610 2.519 5.254 1.00 0.00 N ATOM 570 CA GLU A 37 -15.013 2.528 5.568 1.00 0.00 C ATOM 571 C GLU A 37 -15.275 3.590 6.621 1.00 0.00 C ATOM 572 O GLU A 37 -16.327 4.228 6.649 1.00 0.00 O ATOM 573 CB GLU A 37 -15.452 1.176 6.095 1.00 0.00 C ATOM 574 CG GLU A 37 -16.869 0.823 5.736 1.00 0.00 C ATOM 575 CD GLU A 37 -17.025 0.662 4.245 1.00 0.00 C ATOM 576 OE1 GLU A 37 -17.189 1.679 3.533 1.00 0.00 O ATOM 577 OE2 GLU A 37 -16.975 -0.483 3.755 1.00 0.00 O ATOM 0 H GLU A 37 -13.095 1.711 5.604 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.579 2.747 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.785 0.408 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.347 1.166 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.155 -0.102 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.543 1.601 6.094 1.00 0.00 H new ATOM 584 N HIS A 38 -14.285 3.790 7.463 1.00 0.00 N ATOM 585 CA HIS A 38 -14.380 4.735 8.562 1.00 0.00 C ATOM 586 C HIS A 38 -13.899 6.116 8.115 1.00 0.00 C ATOM 587 O HIS A 38 -14.164 7.130 8.772 1.00 0.00 O ATOM 588 CB HIS A 38 -13.535 4.250 9.757 1.00 0.00 C ATOM 589 CG HIS A 38 -13.839 2.841 10.194 1.00 0.00 C ATOM 590 ND1 HIS A 38 -12.900 1.830 10.236 1.00 0.00 N ATOM 591 CD2 HIS A 38 -15.009 2.279 10.594 1.00 0.00 C ATOM 592 CE1 HIS A 38 -13.511 0.711 10.642 1.00 0.00 C ATOM 593 NE2 HIS A 38 -14.797 0.929 10.872 1.00 0.00 N ATOM 0 H HIS A 38 -13.390 3.304 7.408 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.423 4.805 8.870 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.480 4.317 9.493 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.696 4.923 10.599 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.953 2.795 10.683 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.021 -0.243 10.766 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.489 0.250 11.187 1.00 0.00 H new ATOM 601 N ASN A 39 -13.208 6.152 6.988 1.00 0.00 N ATOM 602 CA ASN A 39 -12.645 7.390 6.470 1.00 0.00 C ATOM 603 C ASN A 39 -13.113 7.607 5.059 1.00 0.00 C ATOM 604 O ASN A 39 -12.519 7.071 4.120 1.00 0.00 O ATOM 605 CB ASN A 39 -11.104 7.380 6.479 1.00 0.00 C ATOM 606 CG ASN A 39 -10.488 7.191 7.843 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.263 8.154 8.580 1.00 0.00 O ATOM 608 ND2 ASN A 39 -10.157 5.968 8.179 1.00 0.00 N ATOM 0 H ASN A 39 -13.022 5.332 6.410 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.985 8.195 7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.755 6.583 5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.745 8.319 6.059 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.699 5.791 9.073 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.357 5.193 7.546 1.00 0.00 H new ATOM 615 N ARG A 40 -14.167 8.378 4.895 1.00 0.00 N ATOM 616 CA ARG A 40 -14.728 8.628 3.584 1.00 0.00 C ATOM 617 C ARG A 40 -13.764 9.421 2.708 1.00 0.00 C ATOM 618 O ARG A 40 -13.693 9.189 1.511 1.00 0.00 O ATOM 619 CB ARG A 40 -16.089 9.326 3.659 1.00 0.00 C ATOM 620 CG ARG A 40 -16.725 9.501 2.289 1.00 0.00 C ATOM 621 CD ARG A 40 -18.089 10.135 2.354 1.00 0.00 C ATOM 622 NE ARG A 40 -18.707 10.183 1.026 1.00 0.00 N ATOM 623 CZ ARG A 40 -19.911 10.674 0.743 1.00 0.00 C ATOM 624 NH1 ARG A 40 -20.664 11.195 1.708 1.00 0.00 N ATOM 625 NH2 ARG A 40 -20.355 10.640 -0.511 1.00 0.00 N ATOM 0 H ARG A 40 -14.655 8.845 5.659 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.887 7.653 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.757 8.746 4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.969 10.302 4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.074 10.115 1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.805 8.528 1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.725 9.570 3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.007 11.144 2.758 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.165 9.806 0.248 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.319 11.219 2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.587 11.571 1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.774 10.240 -1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.277 11.014 -0.736 1.00 0.00 H new ATOM 639 N ALA A 41 -13.011 10.327 3.309 1.00 0.00 N ATOM 640 CA ALA A 41 -12.031 11.113 2.568 1.00 0.00 C ATOM 641 C ALA A 41 -10.958 10.203 1.999 1.00 0.00 C ATOM 642 O ALA A 41 -10.548 10.347 0.841 1.00 0.00 O ATOM 643 CB ALA A 41 -11.404 12.171 3.448 1.00 0.00 C ATOM 0 H ALA A 41 -13.057 10.538 4.306 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.546 11.616 1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.678 12.742 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.179 12.841 3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.903 11.694 4.290 1.00 0.00 H new ATOM 649 N ALA A 42 -10.526 9.244 2.808 1.00 0.00 N ATOM 650 CA ALA A 42 -9.540 8.272 2.378 1.00 0.00 C ATOM 651 C ALA A 42 -10.143 7.361 1.318 1.00 0.00 C ATOM 652 O ALA A 42 -9.483 7.005 0.352 1.00 0.00 O ATOM 653 CB ALA A 42 -9.020 7.458 3.557 1.00 0.00 C ATOM 0 H ALA A 42 -10.847 9.122 3.768 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.692 8.805 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.282 6.737 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.557 8.125 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.849 6.928 4.027 1.00 0.00 H new ATOM 659 N ALA A 43 -11.418 7.019 1.499 1.00 0.00 N ATOM 660 CA ALA A 43 -12.156 6.198 0.549 1.00 0.00 C ATOM 661 C ALA A 43 -12.287 6.909 -0.790 1.00 0.00 C ATOM 662 O ALA A 43 -12.130 6.298 -1.850 1.00 0.00 O ATOM 663 CB ALA A 43 -13.530 5.847 1.097 1.00 0.00 C ATOM 0 H ALA A 43 -11.966 7.305 2.310 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.598 5.274 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.065 5.233 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.419 5.293 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.092 6.762 1.283 1.00 0.00 H new ATOM 669 N GLU A 44 -12.564 8.196 -0.739 1.00 0.00 N ATOM 670 CA GLU A 44 -12.688 9.025 -1.927 1.00 0.00 C ATOM 671 C GLU A 44 -11.342 9.056 -2.649 1.00 0.00 C ATOM 672 O GLU A 44 -11.273 9.016 -3.883 1.00 0.00 O ATOM 673 CB GLU A 44 -13.073 10.448 -1.524 1.00 0.00 C ATOM 674 CG GLU A 44 -13.499 11.337 -2.679 1.00 0.00 C ATOM 675 CD GLU A 44 -14.836 10.931 -3.241 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.867 11.348 -2.678 1.00 0.00 O ATOM 677 OE2 GLU A 44 -14.888 10.187 -4.242 1.00 0.00 O ATOM 0 H GLU A 44 -12.711 8.703 0.134 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.457 8.615 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.887 10.399 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.225 10.911 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.547 12.372 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.747 11.294 -3.466 1.00 0.00 H new ATOM 684 N PHE A 45 -10.288 9.123 -1.862 1.00 0.00 N ATOM 685 CA PHE A 45 -8.932 9.135 -2.355 1.00 0.00 C ATOM 686 C PHE A 45 -8.616 7.824 -3.087 1.00 0.00 C ATOM 687 O PHE A 45 -8.316 7.824 -4.288 1.00 0.00 O ATOM 688 CB PHE A 45 -7.959 9.354 -1.186 1.00 0.00 C ATOM 689 CG PHE A 45 -6.519 9.339 -1.593 1.00 0.00 C ATOM 690 CD1 PHE A 45 -5.962 10.419 -2.247 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.724 8.237 -1.327 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.640 10.402 -2.629 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.409 8.221 -1.703 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.864 9.302 -2.355 1.00 0.00 C ATOM 0 H PHE A 45 -10.354 9.171 -0.845 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.818 9.953 -3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.184 10.309 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.124 8.579 -0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.569 11.286 -2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.146 7.383 -0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.214 11.251 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.797 7.357 -1.487 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.826 9.286 -2.652 1.00 0.00 H new ATOM 704 N VAL A 46 -8.737 6.716 -2.369 1.00 0.00 N ATOM 705 CA VAL A 46 -8.444 5.390 -2.907 1.00 0.00 C ATOM 706 C VAL A 46 -9.369 5.017 -4.079 1.00 0.00 C ATOM 707 O VAL A 46 -8.944 4.360 -5.017 1.00 0.00 O ATOM 708 CB VAL A 46 -8.425 4.300 -1.786 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.683 4.270 -1.039 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.176 2.943 -2.322 1.00 0.00 C ATOM 0 H VAL A 46 -9.041 6.709 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.436 5.430 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.606 4.580 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.631 3.500 -0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.852 5.240 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.505 4.048 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.173 2.223 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.962 2.682 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.210 2.923 -2.827 1.00 0.00 H new ATOM 720 N GLY A 47 -10.595 5.514 -4.050 1.00 0.00 N ATOM 721 CA GLY A 47 -11.538 5.246 -5.119 1.00 0.00 C ATOM 722 C GLY A 47 -11.088 5.822 -6.455 1.00 0.00 C ATOM 723 O GLY A 47 -11.245 5.182 -7.494 1.00 0.00 O ATOM 0 H GLY A 47 -10.958 6.103 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.672 4.169 -5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.509 5.665 -4.855 1.00 0.00 H new ATOM 727 N SER A 48 -10.478 6.996 -6.422 1.00 0.00 N ATOM 728 CA SER A 48 -10.046 7.657 -7.639 1.00 0.00 C ATOM 729 C SER A 48 -8.695 7.132 -8.148 1.00 0.00 C ATOM 730 O SER A 48 -8.304 7.390 -9.282 1.00 0.00 O ATOM 731 CB SER A 48 -10.029 9.175 -7.437 1.00 0.00 C ATOM 732 OG SER A 48 -9.320 9.536 -6.249 1.00 0.00 O ATOM 0 H SER A 48 -10.272 7.509 -5.565 1.00 0.00 H new ATOM 0 HA SER A 48 -10.769 7.420 -8.419 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.564 9.653 -8.299 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.052 9.547 -7.379 1.00 0.00 H new ATOM 0 HG SER A 48 -8.953 8.730 -5.829 1.00 0.00 H new ATOM 738 N VAL A 49 -7.994 6.397 -7.312 1.00 0.00 N ATOM 739 CA VAL A 49 -6.693 5.839 -7.691 1.00 0.00 C ATOM 740 C VAL A 49 -6.809 4.328 -7.824 1.00 0.00 C ATOM 741 O VAL A 49 -5.813 3.594 -7.909 1.00 0.00 O ATOM 742 CB VAL A 49 -5.570 6.205 -6.671 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.338 7.702 -6.650 1.00 0.00 C ATOM 744 CG2 VAL A 49 -5.928 5.740 -5.282 1.00 0.00 C ATOM 0 H VAL A 49 -8.294 6.166 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.409 6.277 -8.648 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.658 5.700 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.552 7.938 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.037 8.037 -7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.258 8.209 -6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.128 6.008 -4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.855 6.218 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.059 4.658 -5.283 1.00 0.00 H new ATOM 754 N ASN A 50 -8.030 3.877 -7.855 1.00 0.00 N ATOM 755 CA ASN A 50 -8.330 2.475 -7.941 1.00 0.00 C ATOM 756 C ASN A 50 -8.476 2.056 -9.390 1.00 0.00 C ATOM 757 O ASN A 50 -8.185 2.831 -10.314 1.00 0.00 O ATOM 758 CB ASN A 50 -9.617 2.131 -7.187 1.00 0.00 C ATOM 759 CG ASN A 50 -9.401 1.107 -6.097 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.250 0.246 -5.848 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.320 1.210 -5.404 1.00 0.00 N ATOM 0 H ASN A 50 -8.854 4.477 -7.821 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.502 1.935 -7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.030 3.040 -6.749 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.356 1.753 -7.893 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.149 0.571 -4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.635 1.931 -5.632 1.00 0.00 H new ATOM 768 N GLY A 51 -8.906 0.840 -9.598 1.00 0.00 N ATOM 769 CA GLY A 51 -9.090 0.337 -10.926 1.00 0.00 C ATOM 770 C GLY A 51 -10.543 0.342 -11.342 1.00 0.00 C ATOM 771 O GLY A 51 -11.124 -0.713 -11.587 1.00 0.00 O ATOM 0 H GLY A 51 -9.136 0.178 -8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.512 0.941 -11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.700 -0.679 -10.985 1.00 0.00 H new ATOM 775 N GLY A 52 -11.142 1.514 -11.366 1.00 0.00 N ATOM 776 CA GLY A 52 -12.502 1.639 -11.828 1.00 0.00 C ATOM 777 C GLY A 52 -13.447 2.076 -10.742 1.00 0.00 C ATOM 778 O GLY A 52 -14.125 3.102 -10.861 1.00 0.00 O ATOM 0 H GLY A 52 -10.708 2.389 -11.072 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.539 2.358 -12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.834 0.682 -12.229 1.00 0.00 H new ATOM 782 N ASN A 53 -13.483 1.327 -9.685 1.00 0.00 N ATOM 783 CA ASN A 53 -14.374 1.591 -8.573 1.00 0.00 C ATOM 784 C ASN A 53 -13.612 1.192 -7.333 1.00 0.00 C ATOM 785 O ASN A 53 -12.576 0.548 -7.470 1.00 0.00 O ATOM 786 CB ASN A 53 -15.624 0.711 -8.718 1.00 0.00 C ATOM 787 CG ASN A 53 -16.795 1.148 -7.859 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.903 0.768 -6.701 1.00 0.00 O ATOM 789 ND2 ASN A 53 -17.695 1.909 -8.429 1.00 0.00 N ATOM 0 H ASN A 53 -12.893 0.504 -9.558 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.687 2.634 -8.532 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.935 0.710 -9.763 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.363 -0.316 -8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.519 2.204 -7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.572 2.207 -9.397 1.00 0.00 H new ATOM 796 N ARG A 54 -14.082 1.557 -6.146 1.00 0.00 N ATOM 797 CA ARG A 54 -13.397 1.157 -4.919 1.00 0.00 C ATOM 798 C ARG A 54 -13.587 -0.346 -4.678 1.00 0.00 C ATOM 799 O ARG A 54 -14.672 -0.806 -4.289 1.00 0.00 O ATOM 800 CB ARG A 54 -13.793 2.009 -3.655 1.00 0.00 C ATOM 801 CG ARG A 54 -15.249 1.893 -3.122 1.00 0.00 C ATOM 802 CD ARG A 54 -16.285 2.511 -4.053 1.00 0.00 C ATOM 803 NE ARG A 54 -16.034 3.937 -4.264 1.00 0.00 N ATOM 804 CZ ARG A 54 -16.511 4.676 -5.270 1.00 0.00 C ATOM 805 NH1 ARG A 54 -17.354 4.156 -6.149 1.00 0.00 N ATOM 806 NH2 ARG A 54 -16.178 5.950 -5.356 1.00 0.00 N ATOM 0 H ARG A 54 -14.921 2.120 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.337 1.364 -5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.118 1.736 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.605 3.057 -3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.490 0.841 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.311 2.378 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.270 1.992 -5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.281 2.374 -3.632 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.441 4.410 -3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.645 3.182 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.712 4.729 -6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.561 6.364 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.538 6.521 -6.121 1.00 0.00 H new ATOM 820 N THR A 55 -12.556 -1.099 -4.967 1.00 0.00 N ATOM 821 CA THR A 55 -12.615 -2.531 -4.856 1.00 0.00 C ATOM 822 C THR A 55 -11.259 -3.128 -4.409 1.00 0.00 C ATOM 823 O THR A 55 -11.218 -4.114 -3.660 1.00 0.00 O ATOM 824 CB THR A 55 -13.103 -3.164 -6.214 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.245 -4.584 -6.109 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.171 -2.824 -7.379 1.00 0.00 C ATOM 0 H THR A 55 -11.657 -0.737 -5.284 1.00 0.00 H new ATOM 0 HA THR A 55 -13.340 -2.780 -4.081 1.00 0.00 H new ATOM 0 HB THR A 55 -14.079 -2.725 -6.421 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.550 -4.947 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.549 -3.282 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.128 -1.742 -7.507 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.172 -3.205 -7.169 1.00 0.00 H new ATOM 834 N VAL A 56 -10.164 -2.503 -4.809 1.00 0.00 N ATOM 835 CA VAL A 56 -8.849 -3.032 -4.518 1.00 0.00 C ATOM 836 C VAL A 56 -8.044 -2.120 -3.603 1.00 0.00 C ATOM 837 O VAL A 56 -8.215 -0.896 -3.626 1.00 0.00 O ATOM 838 CB VAL A 56 -8.028 -3.345 -5.807 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.561 -4.578 -6.505 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.043 -2.176 -6.769 1.00 0.00 C ATOM 0 H VAL A 56 -10.163 -1.629 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.029 -3.971 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.000 -3.528 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.971 -4.773 -7.400 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.495 -5.434 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.602 -4.416 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.462 -2.427 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.071 -1.956 -7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.607 -1.301 -6.286 1.00 0.00 H new ATOM 850 N PRO A 57 -7.158 -2.708 -2.779 1.00 0.00 N ATOM 851 CA PRO A 57 -6.296 -1.957 -1.880 1.00 0.00 C ATOM 852 C PRO A 57 -5.333 -1.064 -2.656 1.00 0.00 C ATOM 853 O PRO A 57 -4.929 -1.377 -3.786 1.00 0.00 O ATOM 854 CB PRO A 57 -5.512 -3.043 -1.121 1.00 0.00 C ATOM 855 CG PRO A 57 -5.606 -4.247 -1.978 1.00 0.00 C ATOM 856 CD PRO A 57 -6.935 -4.154 -2.658 1.00 0.00 C ATOM 0 HA PRO A 57 -6.864 -1.298 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.474 -2.747 -0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.941 -3.225 -0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.795 -4.275 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.533 -5.158 -1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.922 -4.641 -3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.720 -4.633 -2.073 1.00 0.00 H new ATOM 864 N THR A 58 -5.016 0.052 -2.098 1.00 0.00 N ATOM 865 CA THR A 58 -4.088 0.954 -2.701 1.00 0.00 C ATOM 866 C THR A 58 -3.120 1.426 -1.626 1.00 0.00 C ATOM 867 O THR A 58 -3.526 1.638 -0.477 1.00 0.00 O ATOM 868 CB THR A 58 -4.839 2.149 -3.304 1.00 0.00 C ATOM 869 OG1 THR A 58 -5.853 1.642 -4.170 1.00 0.00 O ATOM 870 CG2 THR A 58 -3.926 3.032 -4.128 1.00 0.00 C ATOM 0 H THR A 58 -5.393 0.370 -1.205 1.00 0.00 H new ATOM 0 HA THR A 58 -3.541 0.457 -3.502 1.00 0.00 H new ATOM 0 HB THR A 58 -5.250 2.742 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.702 1.974 -5.080 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.497 3.866 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.125 3.416 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.498 2.451 -4.945 1.00 0.00 H new ATOM 878 N VAL A 59 -1.866 1.541 -1.963 1.00 0.00 N ATOM 879 CA VAL A 59 -0.870 1.948 -1.000 1.00 0.00 C ATOM 880 C VAL A 59 -0.430 3.375 -1.244 1.00 0.00 C ATOM 881 O VAL A 59 -0.171 3.760 -2.382 1.00 0.00 O ATOM 882 CB VAL A 59 0.370 1.014 -1.019 1.00 0.00 C ATOM 883 CG1 VAL A 59 -0.030 -0.381 -0.675 1.00 0.00 C ATOM 884 CG2 VAL A 59 1.050 1.009 -2.363 1.00 0.00 C ATOM 0 H VAL A 59 -1.504 1.359 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.337 1.878 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 59 1.072 1.398 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.848 -1.026 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.473 -0.397 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.758 -0.741 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.912 0.343 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.350 0.662 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.380 2.019 -2.607 1.00 0.00 H new ATOM 894 N LYS A 60 -0.393 4.162 -0.205 1.00 0.00 N ATOM 895 CA LYS A 60 0.120 5.501 -0.305 1.00 0.00 C ATOM 896 C LYS A 60 1.470 5.505 0.359 1.00 0.00 C ATOM 897 O LYS A 60 1.573 5.242 1.562 1.00 0.00 O ATOM 898 CB LYS A 60 -0.787 6.523 0.385 1.00 0.00 C ATOM 899 CG LYS A 60 -0.476 7.970 -0.020 1.00 0.00 C ATOM 900 CD LYS A 60 -1.297 8.984 0.766 1.00 0.00 C ATOM 901 CE LYS A 60 -0.804 9.110 2.197 1.00 0.00 C ATOM 902 NZ LYS A 60 -1.638 10.035 2.989 1.00 0.00 N ATOM 0 H LYS A 60 -0.714 3.898 0.726 1.00 0.00 H new ATOM 0 HA LYS A 60 0.177 5.786 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.826 6.299 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.682 6.423 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.585 8.167 0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.671 8.096 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.244 9.956 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.345 8.684 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.804 8.127 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.227 9.462 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.268 10.092 3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.618 10.980 2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.617 9.686 3.013 1.00 0.00 H new ATOM 916 N PHE A 61 2.482 5.754 -0.401 1.00 0.00 N ATOM 917 CA PHE A 61 3.835 5.737 0.106 1.00 0.00 C ATOM 918 C PHE A 61 4.162 7.037 0.780 1.00 0.00 C ATOM 919 O PHE A 61 3.509 8.053 0.534 1.00 0.00 O ATOM 920 CB PHE A 61 4.832 5.532 -1.032 1.00 0.00 C ATOM 921 CG PHE A 61 4.753 4.211 -1.704 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.829 3.991 -2.697 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.617 3.189 -1.352 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.759 2.790 -3.330 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.550 1.971 -1.983 1.00 0.00 C ATOM 926 CZ PHE A 61 4.620 1.771 -2.978 1.00 0.00 C ATOM 0 H PHE A 61 2.407 5.977 -1.394 1.00 0.00 H new ATOM 0 HA PHE A 61 3.907 4.916 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.675 6.312 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.840 5.664 -0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.150 4.782 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.350 3.350 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.028 2.633 -4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.223 1.175 -1.700 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.564 0.818 -3.482 1.00 0.00 H new ATOM 936 N ALA A 62 5.208 7.017 1.588 1.00 0.00 N ATOM 937 CA ALA A 62 5.747 8.226 2.208 1.00 0.00 C ATOM 938 C ALA A 62 6.404 9.109 1.136 1.00 0.00 C ATOM 939 O ALA A 62 6.797 10.239 1.390 1.00 0.00 O ATOM 940 CB ALA A 62 6.746 7.868 3.288 1.00 0.00 C ATOM 0 H ALA A 62 5.711 6.165 1.836 1.00 0.00 H new ATOM 0 HA ALA A 62 4.931 8.781 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.137 8.780 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.255 7.267 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.566 7.299 2.851 1.00 0.00 H new ATOM 946 N ASP A 63 6.543 8.533 -0.059 1.00 0.00 N ATOM 947 CA ASP A 63 7.066 9.221 -1.244 1.00 0.00 C ATOM 948 C ASP A 63 5.954 10.126 -1.819 1.00 0.00 C ATOM 949 O ASP A 63 6.188 10.961 -2.687 1.00 0.00 O ATOM 950 CB ASP A 63 7.545 8.175 -2.285 1.00 0.00 C ATOM 951 CG ASP A 63 8.297 8.754 -3.481 1.00 0.00 C ATOM 952 OD1 ASP A 63 9.026 9.748 -3.327 1.00 0.00 O ATOM 953 OD2 ASP A 63 8.199 8.189 -4.608 1.00 0.00 O ATOM 0 H ASP A 63 6.292 7.560 -0.235 1.00 0.00 H new ATOM 0 HA ASP A 63 7.922 9.843 -0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.191 7.454 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.678 7.625 -2.651 1.00 0.00 H new ATOM 958 N GLY A 64 4.733 9.908 -1.325 1.00 0.00 N ATOM 959 CA GLY A 64 3.616 10.780 -1.611 1.00 0.00 C ATOM 960 C GLY A 64 2.596 10.248 -2.598 1.00 0.00 C ATOM 961 O GLY A 64 1.433 10.670 -2.558 1.00 0.00 O ATOM 0 H GLY A 64 4.502 9.121 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.105 11.003 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.005 11.723 -1.994 1.00 0.00 H new ATOM 965 N SER A 65 2.970 9.324 -3.442 1.00 0.00 N ATOM 966 CA SER A 65 2.029 8.830 -4.431 1.00 0.00 C ATOM 967 C SER A 65 1.524 7.436 -4.062 1.00 0.00 C ATOM 968 O SER A 65 2.001 6.810 -3.093 1.00 0.00 O ATOM 969 CB SER A 65 2.679 8.804 -5.805 1.00 0.00 C ATOM 970 OG SER A 65 3.390 10.013 -6.049 1.00 0.00 O ATOM 0 H SER A 65 3.898 8.901 -3.472 1.00 0.00 H new ATOM 0 HA SER A 65 1.174 9.506 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.360 7.956 -5.875 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.916 8.664 -6.571 1.00 0.00 H new ATOM 0 HG SER A 65 3.803 9.976 -6.937 1.00 0.00 H new ATOM 976 N THR A 66 0.586 6.954 -4.831 1.00 0.00 N ATOM 977 CA THR A 66 -0.019 5.677 -4.610 1.00 0.00 C ATOM 978 C THR A 66 0.308 4.694 -5.720 1.00 0.00 C ATOM 979 O THR A 66 0.740 5.088 -6.801 1.00 0.00 O ATOM 980 CB THR A 66 -1.543 5.848 -4.551 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.964 6.750 -5.588 1.00 0.00 O ATOM 982 CG2 THR A 66 -1.988 6.370 -3.213 1.00 0.00 C ATOM 0 H THR A 66 0.217 7.450 -5.642 1.00 0.00 H new ATOM 0 HA THR A 66 0.373 5.282 -3.673 1.00 0.00 H new ATOM 0 HB THR A 66 -2.001 4.870 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.870 6.515 -5.878 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.073 6.479 -3.207 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.689 5.671 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.525 7.339 -3.028 1.00 0.00 H new ATOM 990 N LEU A 67 0.151 3.428 -5.421 1.00 0.00 N ATOM 991 CA LEU A 67 0.201 2.363 -6.407 1.00 0.00 C ATOM 992 C LEU A 67 -0.982 1.450 -6.126 1.00 0.00 C ATOM 993 O LEU A 67 -1.188 1.034 -4.969 1.00 0.00 O ATOM 994 CB LEU A 67 1.533 1.543 -6.384 1.00 0.00 C ATOM 995 CG LEU A 67 2.847 2.263 -6.774 1.00 0.00 C ATOM 996 CD1 LEU A 67 4.031 1.291 -6.736 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.742 2.873 -8.158 1.00 0.00 C ATOM 0 H LEU A 67 -0.018 3.097 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 67 0.157 2.806 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.659 1.143 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.410 0.691 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 67 3.013 3.059 -6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.944 1.818 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.137 0.886 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.855 0.476 -7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.678 3.373 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.544 2.088 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.928 3.598 -8.175 1.00 0.00 H new ATOM 1009 N THR A 68 -1.792 1.212 -7.133 1.00 0.00 N ATOM 1010 CA THR A 68 -2.951 0.349 -7.023 1.00 0.00 C ATOM 1011 C THR A 68 -2.444 -1.094 -6.814 1.00 0.00 C ATOM 1012 O THR A 68 -1.471 -1.477 -7.476 1.00 0.00 O ATOM 1013 CB THR A 68 -3.760 0.456 -8.329 1.00 0.00 C ATOM 1014 OG1 THR A 68 -3.810 1.851 -8.732 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.182 -0.054 -8.130 1.00 0.00 C ATOM 0 H THR A 68 -1.665 1.615 -8.061 1.00 0.00 H new ATOM 0 HA THR A 68 -3.590 0.635 -6.187 1.00 0.00 H new ATOM 0 HB THR A 68 -3.277 -0.151 -9.095 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.586 2.283 -8.319 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.734 0.032 -9.066 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.154 -1.099 -7.820 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.677 0.539 -7.361 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.151 -1.880 -5.950 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.732 -3.240 -5.418 1.00 0.00 C ATOM 1025 C ASN A 69 -1.434 -3.808 -6.015 1.00 0.00 C ATOM 1026 O ASN A 69 -1.433 -4.538 -7.027 1.00 0.00 O ATOM 1027 CB ASN A 69 -3.875 -4.273 -5.509 1.00 0.00 C ATOM 1028 CG ASN A 69 -3.509 -5.648 -4.930 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -2.701 -5.760 -4.028 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -4.115 -6.696 -5.437 1.00 0.00 N ATOM 0 H ASN A 69 -4.058 -1.588 -5.585 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.505 -3.051 -4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.746 -3.886 -4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.163 -4.393 -6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.912 -7.628 -5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.789 -6.579 -6.193 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.314 -3.393 -5.432 1.00 0.00 N ATOM 1038 CA PRO A 70 1.005 -3.818 -5.817 1.00 0.00 C ATOM 1039 C PRO A 70 1.511 -4.959 -4.945 1.00 0.00 C ATOM 1040 O PRO A 70 1.321 -4.964 -3.735 1.00 0.00 O ATOM 1041 CB PRO A 70 1.832 -2.558 -5.587 1.00 0.00 C ATOM 1042 CG PRO A 70 1.089 -1.776 -4.533 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.249 -2.425 -4.336 1.00 0.00 C ATOM 0 HA PRO A 70 1.049 -4.201 -6.837 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.840 -2.805 -5.254 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.932 -1.981 -6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.650 -1.767 -3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.968 -0.738 -4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.321 -2.912 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.061 -1.700 -4.390 1.00 0.00 H new ATOM 1051 N SER A 71 2.144 -5.925 -5.553 1.00 0.00 N ATOM 1052 CA SER A 71 2.671 -7.032 -4.810 1.00 0.00 C ATOM 1053 C SER A 71 3.915 -6.582 -4.005 1.00 0.00 C ATOM 1054 O SER A 71 4.417 -5.456 -4.182 1.00 0.00 O ATOM 1055 CB SER A 71 2.964 -8.221 -5.746 1.00 0.00 C ATOM 1056 OG SER A 71 3.322 -9.385 -5.014 1.00 0.00 O ATOM 0 H SER A 71 2.306 -5.966 -6.559 1.00 0.00 H new ATOM 0 HA SER A 71 1.928 -7.378 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.085 -8.430 -6.356 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.771 -7.957 -6.429 1.00 0.00 H new ATOM 0 HG SER A 71 3.500 -10.121 -5.636 1.00 0.00 H new ATOM 1062 N ALA A 72 4.416 -7.464 -3.171 1.00 0.00 N ATOM 1063 CA ALA A 72 5.474 -7.155 -2.223 1.00 0.00 C ATOM 1064 C ALA A 72 6.759 -6.642 -2.861 1.00 0.00 C ATOM 1065 O ALA A 72 7.340 -5.690 -2.369 1.00 0.00 O ATOM 1066 CB ALA A 72 5.746 -8.341 -1.344 1.00 0.00 C ATOM 0 H ALA A 72 4.098 -8.432 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 72 5.105 -6.326 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.540 -8.097 -0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.841 -8.602 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.054 -9.187 -1.959 1.00 0.00 H new ATOM 1072 N ASP A 73 7.197 -7.220 -3.958 1.00 0.00 N ATOM 1073 CA ASP A 73 8.458 -6.746 -4.533 1.00 0.00 C ATOM 1074 C ASP A 73 8.214 -5.484 -5.355 1.00 0.00 C ATOM 1075 O ASP A 73 9.114 -4.661 -5.556 1.00 0.00 O ATOM 1076 CB ASP A 73 9.168 -7.831 -5.347 1.00 0.00 C ATOM 1077 CG ASP A 73 10.660 -7.566 -5.483 1.00 0.00 C ATOM 1078 OD1 ASP A 73 11.433 -7.978 -4.571 1.00 0.00 O ATOM 1079 OD2 ASP A 73 11.098 -6.981 -6.479 1.00 0.00 O ATOM 0 H ASP A 73 6.735 -7.981 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 73 9.132 -6.498 -3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.015 -8.799 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.720 -7.890 -6.339 1.00 0.00 H new ATOM 1084 N GLU A 74 6.951 -5.295 -5.743 1.00 0.00 N ATOM 1085 CA GLU A 74 6.538 -4.130 -6.516 1.00 0.00 C ATOM 1086 C GLU A 74 6.597 -2.896 -5.647 1.00 0.00 C ATOM 1087 O GLU A 74 7.068 -1.834 -6.080 1.00 0.00 O ATOM 1088 CB GLU A 74 5.118 -4.295 -7.065 1.00 0.00 C ATOM 1089 CG GLU A 74 4.915 -5.538 -7.898 1.00 0.00 C ATOM 1090 CD GLU A 74 5.945 -5.671 -8.979 1.00 0.00 C ATOM 1091 OE1 GLU A 74 5.843 -4.956 -10.003 1.00 0.00 O ATOM 1092 OE2 GLU A 74 6.861 -6.500 -8.826 1.00 0.00 O ATOM 0 H GLU A 74 6.193 -5.943 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 74 7.221 -4.029 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.418 -4.313 -6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.871 -3.422 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.953 -6.416 -7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.922 -5.515 -8.346 1.00 0.00 H new ATOM 1099 N VAL A 75 6.114 -3.029 -4.416 1.00 0.00 N ATOM 1100 CA VAL A 75 6.191 -1.938 -3.471 1.00 0.00 C ATOM 1101 C VAL A 75 7.617 -1.684 -3.057 1.00 0.00 C ATOM 1102 O VAL A 75 8.024 -0.545 -2.979 1.00 0.00 O ATOM 1103 CB VAL A 75 5.287 -2.090 -2.217 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.851 -1.868 -2.568 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.412 -3.447 -1.602 1.00 0.00 C ATOM 0 H VAL A 75 5.671 -3.875 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 75 5.799 -1.076 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 75 5.622 -1.339 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.237 -1.979 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.726 -0.863 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.542 -2.599 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.764 -3.512 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.118 -4.204 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.446 -3.616 -1.300 1.00 0.00 H new ATOM 1115 N LYS A 76 8.386 -2.760 -2.843 1.00 0.00 N ATOM 1116 CA LYS A 76 9.808 -2.663 -2.482 1.00 0.00 C ATOM 1117 C LYS A 76 10.577 -1.800 -3.464 1.00 0.00 C ATOM 1118 O LYS A 76 11.407 -0.995 -3.058 1.00 0.00 O ATOM 1119 CB LYS A 76 10.441 -4.052 -2.388 1.00 0.00 C ATOM 1120 CG LYS A 76 10.075 -4.835 -1.132 1.00 0.00 C ATOM 1121 CD LYS A 76 10.493 -6.304 -1.240 1.00 0.00 C ATOM 1122 CE LYS A 76 11.980 -6.477 -1.489 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.319 -7.871 -1.838 1.00 0.00 N ATOM 0 H LYS A 76 8.043 -3.718 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 76 9.862 -2.186 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.143 -4.632 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.525 -3.946 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.558 -4.382 -0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.000 -4.774 -0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.221 -6.823 -0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.937 -6.776 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.293 -5.814 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.535 -6.180 -0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.341 -8.020 -1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.800 -8.521 -1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.055 -8.055 -2.827 1.00 0.00 H new ATOM 1137 N ALA A 77 10.250 -1.933 -4.740 1.00 0.00 N ATOM 1138 CA ALA A 77 10.892 -1.164 -5.790 1.00 0.00 C ATOM 1139 C ALA A 77 10.661 0.345 -5.617 1.00 0.00 C ATOM 1140 O ALA A 77 11.535 1.152 -5.913 1.00 0.00 O ATOM 1141 CB ALA A 77 10.411 -1.625 -7.159 1.00 0.00 C ATOM 0 H ALA A 77 9.533 -2.577 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 77 11.965 -1.341 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.903 -1.037 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.653 -2.679 -7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.332 -1.489 -7.230 1.00 0.00 H new ATOM 1147 N LYS A 78 9.481 0.732 -5.178 1.00 0.00 N ATOM 1148 CA LYS A 78 9.202 2.144 -4.971 1.00 0.00 C ATOM 1149 C LYS A 78 9.663 2.588 -3.565 1.00 0.00 C ATOM 1150 O LYS A 78 10.177 3.700 -3.370 1.00 0.00 O ATOM 1151 CB LYS A 78 7.713 2.453 -5.202 1.00 0.00 C ATOM 1152 CG LYS A 78 7.466 3.910 -5.532 1.00 0.00 C ATOM 1153 CD LYS A 78 6.039 4.200 -5.937 1.00 0.00 C ATOM 1154 CE LYS A 78 5.898 5.667 -6.259 1.00 0.00 C ATOM 1155 NZ LYS A 78 4.566 6.030 -6.783 1.00 0.00 N ATOM 0 H LYS A 78 8.709 0.103 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 78 9.769 2.717 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.338 1.831 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.147 2.185 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.721 4.520 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.133 4.210 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.766 3.598 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.358 3.926 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.097 6.249 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.656 5.944 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.592 7.000 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.302 5.373 -7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.864 5.972 -6.018 1.00 0.00 H new ATOM 1169 N LEU A 79 9.501 1.681 -2.623 1.00 0.00 N ATOM 1170 CA LEU A 79 9.785 1.876 -1.201 1.00 0.00 C ATOM 1171 C LEU A 79 11.279 2.067 -0.922 1.00 0.00 C ATOM 1172 O LEU A 79 11.662 2.850 -0.039 1.00 0.00 O ATOM 1173 CB LEU A 79 9.246 0.664 -0.421 1.00 0.00 C ATOM 1174 CG LEU A 79 9.446 0.653 1.087 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.714 1.804 1.740 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.986 -0.672 1.672 1.00 0.00 C ATOM 0 H LEU A 79 9.153 0.744 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 79 9.290 2.791 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.177 0.585 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.713 -0.233 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 79 10.510 0.773 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.874 1.772 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.092 2.747 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.648 1.724 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.135 -0.665 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.928 -0.819 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.564 -1.484 1.231 1.00 0.00 H new ATOM 1188 N VAL A 80 12.111 1.375 -1.680 1.00 0.00 N ATOM 1189 CA VAL A 80 13.564 1.425 -1.517 1.00 0.00 C ATOM 1190 C VAL A 80 14.107 2.859 -1.668 1.00 0.00 C ATOM 1191 O VAL A 80 15.059 3.248 -0.980 1.00 0.00 O ATOM 1192 CB VAL A 80 14.283 0.445 -2.502 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.005 0.777 -3.957 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.770 0.383 -2.241 1.00 0.00 C ATOM 0 H VAL A 80 11.802 0.758 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 80 13.783 1.098 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 80 13.864 -0.543 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.527 0.067 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.933 0.716 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.355 1.787 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.234 -0.308 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.203 1.375 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.947 0.037 -1.223 1.00 0.00 H new ATOM 1204 N LYS A 81 13.435 3.656 -2.495 1.00 0.00 N ATOM 1205 CA LYS A 81 13.846 5.033 -2.767 1.00 0.00 C ATOM 1206 C LYS A 81 13.611 5.906 -1.541 1.00 0.00 C ATOM 1207 O LYS A 81 14.282 6.913 -1.336 1.00 0.00 O ATOM 1208 CB LYS A 81 13.027 5.611 -3.931 1.00 0.00 C ATOM 1209 CG LYS A 81 12.979 4.742 -5.180 1.00 0.00 C ATOM 1210 CD LYS A 81 12.229 5.400 -6.367 1.00 0.00 C ATOM 1211 CE LYS A 81 10.763 5.797 -6.064 1.00 0.00 C ATOM 1212 NZ LYS A 81 10.642 7.066 -5.291 1.00 0.00 N ATOM 0 H LYS A 81 12.593 3.368 -2.994 1.00 0.00 H new ATOM 0 HA LYS A 81 14.906 5.024 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.007 5.783 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.441 6.583 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.998 4.509 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.496 3.796 -4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.776 6.291 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.238 4.711 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.220 5.899 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.284 4.993 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.727 7.515 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.701 6.860 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.413 7.710 -5.559 1.00 0.00 H new ATOM 1226 N ILE A 82 12.663 5.502 -0.734 1.00 0.00 N ATOM 1227 CA ILE A 82 12.243 6.267 0.417 1.00 0.00 C ATOM 1228 C ILE A 82 13.158 5.979 1.597 1.00 0.00 C ATOM 1229 O ILE A 82 13.706 6.893 2.206 1.00 0.00 O ATOM 1230 CB ILE A 82 10.798 5.891 0.806 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.893 5.915 -0.434 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.272 6.849 1.872 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.483 5.407 -0.194 1.00 0.00 C ATOM 0 H ILE A 82 12.155 4.626 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 82 12.291 7.326 0.163 1.00 0.00 H new ATOM 0 HB ILE A 82 10.795 4.882 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.839 6.937 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.354 5.313 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.252 6.573 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.906 6.792 2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.283 7.867 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.914 5.460 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.522 4.373 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.998 6.023 0.564 1.00 0.00 H new ATOM 1245 N ALA A 83 13.335 4.704 1.891 1.00 0.00 N ATOM 1246 CA ALA A 83 14.135 4.283 3.030 1.00 0.00 C ATOM 1247 C ALA A 83 15.613 4.571 2.823 1.00 0.00 C ATOM 1248 O ALA A 83 16.293 5.054 3.739 1.00 0.00 O ATOM 1249 CB ALA A 83 13.914 2.811 3.321 1.00 0.00 C ATOM 0 H ALA A 83 12.933 3.936 1.353 1.00 0.00 H new ATOM 0 HA ALA A 83 13.808 4.865 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.521 2.514 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.861 2.639 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.201 2.221 2.451 1.00 0.00 H new ATOM 1255 N GLY A 84 16.100 4.317 1.622 1.00 0.00 N ATOM 1256 CA GLY A 84 17.499 4.528 1.352 1.00 0.00 C ATOM 1257 C GLY A 84 18.326 3.372 1.840 1.00 0.00 C ATOM 1258 O GLY A 84 19.125 3.506 2.780 1.00 0.00 O ATOM 0 H GLY A 84 15.553 3.970 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.650 4.660 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.831 5.446 1.836 1.00 0.00 H new ATOM 1262 N LEU A 85 18.124 2.231 1.238 1.00 0.00 N ATOM 1263 CA LEU A 85 18.824 1.038 1.657 1.00 0.00 C ATOM 1264 C LEU A 85 19.689 0.518 0.526 1.00 0.00 C ATOM 1265 O LEU A 85 20.914 0.639 0.554 1.00 0.00 O ATOM 1266 CB LEU A 85 17.833 -0.041 2.124 1.00 0.00 C ATOM 1267 CG LEU A 85 16.888 0.348 3.266 1.00 0.00 C ATOM 1268 CD1 LEU A 85 15.849 -0.736 3.479 1.00 0.00 C ATOM 1269 CD2 LEU A 85 17.668 0.590 4.550 1.00 0.00 C ATOM 0 H LEU A 85 17.482 2.098 0.456 1.00 0.00 H new ATOM 0 HA LEU A 85 19.467 1.291 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.229 -0.343 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.403 -0.916 2.436 1.00 0.00 H new ATOM 0 HG LEU A 85 16.380 1.273 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.184 -0.448 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.269 -0.868 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 85 16.347 -1.672 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.979 0.865 5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 85 18.202 -0.319 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 85 18.383 1.397 4.394 1.00 0.00 H new ATOM 1281 N GLU A 86 19.045 -0.023 -0.477 1.00 0.00 N ATOM 1282 CA GLU A 86 19.718 -0.562 -1.632 1.00 0.00 C ATOM 1283 C GLU A 86 19.916 0.531 -2.663 1.00 0.00 C ATOM 1284 O GLU A 86 18.988 1.302 -2.937 1.00 0.00 O ATOM 1285 CB GLU A 86 18.880 -1.691 -2.239 1.00 0.00 C ATOM 1286 CG GLU A 86 18.677 -2.888 -1.322 1.00 0.00 C ATOM 1287 CD GLU A 86 19.938 -3.691 -1.131 1.00 0.00 C ATOM 1288 OE1 GLU A 86 20.858 -3.245 -0.399 1.00 0.00 O ATOM 1289 OE2 GLU A 86 20.054 -4.773 -1.732 1.00 0.00 O ATOM 0 H GLU A 86 18.029 -0.103 -0.515 1.00 0.00 H new ATOM 0 HA GLU A 86 20.689 -0.955 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.904 -1.293 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.360 -2.030 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.321 -2.542 -0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.900 -3.531 -1.736 1.00 0.00 H new ATOM 1296 N HIS A 87 21.139 0.629 -3.175 1.00 0.00 N ATOM 1297 CA HIS A 87 21.536 1.549 -4.260 1.00 0.00 C ATOM 1298 C HIS A 87 21.618 3.014 -3.831 1.00 0.00 C ATOM 1299 O HIS A 87 22.636 3.685 -4.067 1.00 0.00 O ATOM 1300 CB HIS A 87 20.643 1.415 -5.524 1.00 0.00 C ATOM 1301 CG HIS A 87 20.690 0.071 -6.187 1.00 0.00 C ATOM 1302 ND1 HIS A 87 19.609 -0.776 -6.287 1.00 0.00 N ATOM 1303 CD2 HIS A 87 21.714 -0.555 -6.810 1.00 0.00 C ATOM 1304 CE1 HIS A 87 19.993 -1.865 -6.945 1.00 0.00 C ATOM 1305 NE2 HIS A 87 21.271 -1.782 -7.293 1.00 0.00 N ATOM 0 H HIS A 87 21.914 0.055 -2.842 1.00 0.00 H new ATOM 0 HA HIS A 87 22.546 1.230 -4.518 1.00 0.00 H new ATOM 0 HB2 HIS A 87 19.611 1.632 -5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 87 20.945 2.172 -6.247 1.00 0.00 H new ATOM 0 HD2 HIS A 87 22.715 -0.165 -6.916 1.00 0.00 H new ATOM 0 HE1 HIS A 87 19.351 -2.705 -7.167 1.00 0.00 H new ATOM 0 HE2 HIS A 87 21.815 -2.474 -7.808 1.00 0.00 H new ATOM 1313 N HIS A 88 20.587 3.501 -3.220 1.00 0.00 N ATOM 1314 CA HIS A 88 20.475 4.898 -2.876 1.00 0.00 C ATOM 1315 C HIS A 88 19.797 5.095 -1.524 1.00 0.00 C ATOM 1316 O HIS A 88 18.554 5.104 -1.453 1.00 0.00 O ATOM 1317 CB HIS A 88 19.757 5.691 -4.008 1.00 0.00 C ATOM 1318 CG HIS A 88 18.540 5.003 -4.589 1.00 0.00 C ATOM 1319 ND1 HIS A 88 17.447 4.638 -3.855 1.00 0.00 N ATOM 1320 CD2 HIS A 88 18.302 4.576 -5.846 1.00 0.00 C ATOM 1321 CE1 HIS A 88 16.594 4.012 -4.652 1.00 0.00 C ATOM 1322 NE2 HIS A 88 17.060 3.945 -5.887 1.00 0.00 N ATOM 0 H HIS A 88 19.783 2.940 -2.938 1.00 0.00 H new ATOM 0 HA HIS A 88 21.484 5.300 -2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 88 19.456 6.663 -3.617 1.00 0.00 H new ATOM 0 HB3 HIS A 88 20.470 5.877 -4.811 1.00 0.00 H new ATOM 0 HD1 HIS A 88 17.311 4.817 -2.860 1.00 0.00 H new ATOM 0 HD2 HIS A 88 18.968 4.703 -6.687 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.643 3.610 -4.335 1.00 0.00 H new TER 1330 HIS A 88