USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 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= 1.14 K(o=0.35,f=-4.7!) USER MOD Set 1.2: A 58 THR OG1 : rot -120:sc= -0.789 USER MOD Set 2.1: A 25 THR OG1 : rot 63:sc= 1.52 USER MOD Set 2.2: A 31 TYR OH : rot -46:sc= 0.296 USER MOD Set 3.1: A 17 CYS SG : rot 180:sc= -0.0417 USER MOD Set 3.2: A 21 LYS NZ :NH3+ -125:sc= 1.2 (180deg=0.921) USER MOD Set 4.1: A 9 TYR OH : rot 30:sc= 0.483 USER MOD Set 4.2: A 60 LYS NZ :NH3+ -147:sc= 0.526 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.125 (180deg=-0.125) 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 130:sc= -0.625 USER MOD Single : A 11 THR OG1 : rot 155:sc= 0.644 USER MOD Single : A 12 SER OG : rot 59:sc= 1.16 USER MOD Single : A 14 CYS SG : rot 102:sc= -0.868 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.874 USER MOD Single : A 27 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 48 SER OG : rot 66:sc= 1.22 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.59) 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 -170:sc= 0.0222 USER MOD Single : A 68 THR OG1 : rot -77:sc= 0.979 USER MOD Single : A 69 ASN : amide:sc= -0.211 K(o=-0.21,f=-0.73) USER MOD Single : A 71 SER OG : rot -135:sc= 1.27 USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0103) USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.11 (180deg=0.104) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0.99) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.254 8.857 8.827 1.00 0.00 N ATOM 2 CA MET A 1 12.523 10.086 8.521 1.00 0.00 C ATOM 3 C MET A 1 11.082 9.768 8.129 1.00 0.00 C ATOM 4 O MET A 1 10.327 10.665 7.761 1.00 0.00 O ATOM 5 CB MET A 1 13.192 10.870 7.366 1.00 0.00 C ATOM 6 CG MET A 1 13.048 10.236 5.979 1.00 0.00 C ATOM 7 SD MET A 1 13.822 11.214 4.674 1.00 0.00 S ATOM 8 CE MET A 1 13.446 10.214 3.234 1.00 0.00 C ATOM 0 H1 MET A 1 14.232 9.092 9.092 1.00 0.00 H new ATOM 0 H2 MET A 1 12.790 8.365 9.617 1.00 0.00 H new ATOM 0 H3 MET A 1 13.260 8.239 7.990 1.00 0.00 H new ATOM 0 HA MET A 1 12.536 10.701 9.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.767 11.873 7.335 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.253 10.980 7.589 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.493 9.241 5.992 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.990 10.109 5.751 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.860 10.688 2.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.884 9.223 3.355 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.365 10.122 3.127 1.00 0.00 H new ATOM 20 N VAL A 2 10.685 8.506 8.186 1.00 0.00 N ATOM 21 CA VAL A 2 9.346 8.158 7.773 1.00 0.00 C ATOM 22 C VAL A 2 8.536 7.594 8.884 1.00 0.00 C ATOM 23 O VAL A 2 8.902 6.616 9.546 1.00 0.00 O ATOM 24 CB VAL A 2 9.264 7.289 6.477 1.00 0.00 C ATOM 25 CG1 VAL A 2 9.810 8.047 5.278 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.996 5.960 6.634 1.00 0.00 C ATOM 0 H VAL A 2 11.259 7.727 8.507 1.00 0.00 H new ATOM 0 HA VAL A 2 8.894 9.110 7.493 1.00 0.00 H new ATOM 0 HB VAL A 2 8.209 7.072 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.741 7.420 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.228 8.956 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.853 8.309 5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.914 5.388 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.047 6.147 6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.551 5.394 7.452 1.00 0.00 H new ATOM 36 N THR A 3 7.457 8.262 9.095 1.00 0.00 N ATOM 37 CA THR A 3 6.498 7.948 10.079 1.00 0.00 C ATOM 38 C THR A 3 5.466 7.005 9.459 1.00 0.00 C ATOM 39 O THR A 3 4.678 6.357 10.155 1.00 0.00 O ATOM 40 CB THR A 3 5.826 9.251 10.486 1.00 0.00 C ATOM 41 OG1 THR A 3 6.839 10.269 10.598 1.00 0.00 O ATOM 42 CG2 THR A 3 5.188 9.092 11.816 1.00 0.00 C ATOM 0 H THR A 3 7.212 9.089 8.551 1.00 0.00 H new ATOM 0 HA THR A 3 6.951 7.468 10.947 1.00 0.00 H new ATOM 0 HB THR A 3 5.075 9.521 9.744 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.423 11.117 10.858 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.708 10.027 12.103 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.440 8.300 11.769 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.946 8.831 12.554 1.00 0.00 H new ATOM 50 N ALA A 4 5.469 6.976 8.153 1.00 0.00 N ATOM 51 CA ALA A 4 4.663 6.100 7.373 1.00 0.00 C ATOM 52 C ALA A 4 5.539 5.586 6.268 1.00 0.00 C ATOM 53 O ALA A 4 6.380 6.324 5.768 1.00 0.00 O ATOM 54 CB ALA A 4 3.464 6.847 6.793 1.00 0.00 C ATOM 0 H ALA A 4 6.059 7.589 7.590 1.00 0.00 H new ATOM 0 HA ALA A 4 4.272 5.284 7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.860 6.161 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.861 7.253 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.815 7.662 6.160 1.00 0.00 H new ATOM 60 N ALA A 5 5.401 4.347 5.932 1.00 0.00 N ATOM 61 CA ALA A 5 6.183 3.775 4.861 1.00 0.00 C ATOM 62 C ALA A 5 5.346 3.804 3.607 1.00 0.00 C ATOM 63 O ALA A 5 5.699 4.443 2.602 1.00 0.00 O ATOM 64 CB ALA A 5 6.600 2.364 5.221 1.00 0.00 C ATOM 0 H ALA A 5 4.753 3.699 6.380 1.00 0.00 H new ATOM 0 HA ALA A 5 7.095 4.348 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.189 1.940 4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.199 2.383 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.712 1.752 5.383 1.00 0.00 H new ATOM 70 N LEU A 6 4.230 3.130 3.685 1.00 0.00 N ATOM 71 CA LEU A 6 3.229 3.141 2.664 1.00 0.00 C ATOM 72 C LEU A 6 1.911 2.782 3.266 1.00 0.00 C ATOM 73 O LEU A 6 1.805 1.820 4.021 1.00 0.00 O ATOM 74 CB LEU A 6 3.584 2.360 1.329 1.00 0.00 C ATOM 75 CG LEU A 6 3.943 0.843 1.319 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.099 0.480 2.212 1.00 0.00 C ATOM 77 CD2 LEU A 6 2.745 -0.033 1.561 1.00 0.00 C ATOM 0 H LEU A 6 3.990 2.544 4.484 1.00 0.00 H new ATOM 0 HA LEU A 6 3.173 4.161 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.733 2.484 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.426 2.883 0.876 1.00 0.00 H new ATOM 0 HG LEU A 6 4.288 0.644 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.285 -0.592 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.989 1.022 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.861 0.746 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.050 -1.079 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.312 0.203 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.003 0.141 0.782 1.00 0.00 H new ATOM 89 N THR A 7 0.935 3.566 2.965 1.00 0.00 N ATOM 90 CA THR A 7 -0.344 3.448 3.564 1.00 0.00 C ATOM 91 C THR A 7 -1.304 2.752 2.619 1.00 0.00 C ATOM 92 O THR A 7 -1.567 3.220 1.512 1.00 0.00 O ATOM 93 CB THR A 7 -0.866 4.847 3.913 1.00 0.00 C ATOM 94 OG1 THR A 7 0.175 5.561 4.612 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.090 4.760 4.811 1.00 0.00 C ATOM 0 H THR A 7 1.007 4.321 2.283 1.00 0.00 H new ATOM 0 HA THR A 7 -0.265 2.852 4.473 1.00 0.00 H new ATOM 0 HB THR A 7 -1.145 5.362 2.994 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.142 6.460 4.841 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.442 5.765 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.879 4.209 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.828 4.243 5.734 1.00 0.00 H new ATOM 103 N ILE A 8 -1.764 1.627 3.061 1.00 0.00 N ATOM 104 CA ILE A 8 -2.674 0.797 2.346 1.00 0.00 C ATOM 105 C ILE A 8 -4.096 1.203 2.676 1.00 0.00 C ATOM 106 O ILE A 8 -4.494 1.207 3.850 1.00 0.00 O ATOM 107 CB ILE A 8 -2.465 -0.690 2.744 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.085 -1.195 2.334 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.560 -1.575 2.198 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.756 -2.565 2.875 1.00 0.00 C ATOM 0 H ILE A 8 -1.503 1.246 3.971 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.493 0.914 1.277 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.520 -0.739 3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.025 -1.220 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.331 -0.487 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.378 -2.607 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.522 -1.248 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.572 -1.510 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.240 -2.858 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.783 -2.542 3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.487 -3.286 2.509 1.00 0.00 H new ATOM 122 N TYR A 9 -4.829 1.574 1.664 1.00 0.00 N ATOM 123 CA TYR A 9 -6.226 1.878 1.803 1.00 0.00 C ATOM 124 C TYR A 9 -7.016 0.737 1.256 1.00 0.00 C ATOM 125 O TYR A 9 -6.806 0.334 0.103 1.00 0.00 O ATOM 126 CB TYR A 9 -6.602 3.151 1.069 1.00 0.00 C ATOM 127 CG TYR A 9 -5.887 4.379 1.533 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.130 4.914 2.787 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.983 5.017 0.709 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.486 6.052 3.208 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.334 6.151 1.115 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.585 6.672 2.365 1.00 0.00 C ATOM 133 OH TYR A 9 -3.930 7.811 2.774 1.00 0.00 O ATOM 0 H TYR A 9 -4.472 1.675 0.714 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.444 2.031 2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.404 3.012 0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.675 3.311 1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.837 4.429 3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.784 4.614 -0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.683 6.458 4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.627 6.636 0.458 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.817 7.792 3.747 1.00 0.00 H new ATOM 143 N THR A 10 -7.872 0.191 2.071 1.00 0.00 N ATOM 144 CA THR A 10 -8.677 -0.916 1.683 1.00 0.00 C ATOM 145 C THR A 10 -9.824 -1.069 2.668 1.00 0.00 C ATOM 146 O THR A 10 -9.884 -0.364 3.692 1.00 0.00 O ATOM 147 CB THR A 10 -7.815 -2.224 1.640 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.586 -3.359 1.197 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.191 -2.519 3.001 1.00 0.00 C ATOM 0 H THR A 10 -8.027 0.508 3.028 1.00 0.00 H new ATOM 0 HA THR A 10 -9.080 -0.740 0.686 1.00 0.00 H new ATOM 0 HB THR A 10 -7.017 -2.052 0.918 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.104 -3.822 0.481 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.599 -3.432 2.940 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.548 -1.689 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.979 -2.647 3.743 1.00 0.00 H new ATOM 157 N THR A 11 -10.724 -1.936 2.336 1.00 0.00 N ATOM 158 CA THR A 11 -11.794 -2.320 3.177 1.00 0.00 C ATOM 159 C THR A 11 -11.530 -3.726 3.647 1.00 0.00 C ATOM 160 O THR A 11 -10.760 -4.470 3.010 1.00 0.00 O ATOM 161 CB THR A 11 -13.102 -2.290 2.395 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.893 -2.893 1.104 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.602 -0.882 2.224 1.00 0.00 C ATOM 0 H THR A 11 -10.728 -2.411 1.434 1.00 0.00 H new ATOM 0 HA THR A 11 -11.873 -1.637 4.023 1.00 0.00 H new ATOM 0 HB THR A 11 -13.854 -2.848 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.745 -3.235 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.536 -0.893 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.773 -0.435 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.860 -0.296 1.682 1.00 0.00 H new ATOM 171 N SER A 12 -12.145 -4.107 4.722 1.00 0.00 N ATOM 172 CA SER A 12 -11.983 -5.424 5.248 1.00 0.00 C ATOM 173 C SER A 12 -12.783 -6.455 4.433 1.00 0.00 C ATOM 174 O SER A 12 -12.551 -7.657 4.547 1.00 0.00 O ATOM 175 CB SER A 12 -12.366 -5.433 6.722 1.00 0.00 C ATOM 176 OG SER A 12 -11.547 -4.494 7.453 1.00 0.00 O ATOM 0 H SER A 12 -12.775 -3.512 5.260 1.00 0.00 H new ATOM 0 HA SER A 12 -10.936 -5.716 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.419 -5.173 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.239 -6.435 7.133 1.00 0.00 H new ATOM 0 HG SER A 12 -11.666 -3.596 7.079 1.00 0.00 H new ATOM 182 N TRP A 13 -13.697 -5.970 3.579 1.00 0.00 N ATOM 183 CA TRP A 13 -14.487 -6.852 2.721 1.00 0.00 C ATOM 184 C TRP A 13 -13.769 -7.173 1.411 1.00 0.00 C ATOM 185 O TRP A 13 -14.260 -7.950 0.596 1.00 0.00 O ATOM 186 CB TRP A 13 -15.931 -6.325 2.476 1.00 0.00 C ATOM 187 CG TRP A 13 -16.083 -4.888 2.000 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.469 -3.824 2.766 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.895 -4.362 0.661 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.524 -2.684 2.005 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.176 -2.979 0.717 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.507 -4.914 -0.569 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.090 -2.145 -0.400 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.421 -4.080 -1.678 1.00 0.00 C ATOM 195 CH2 TRP A 13 -15.710 -2.708 -1.583 1.00 0.00 C ATOM 0 H TRP A 13 -13.903 -4.977 3.468 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.593 -7.788 3.269 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.406 -6.975 1.741 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.490 -6.432 3.405 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.698 -3.874 3.820 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.784 -1.759 2.348 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.280 -5.966 -0.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -16.316 -1.091 -0.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.126 -4.494 -2.631 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -15.630 -2.088 -2.463 1.00 0.00 H new ATOM 206 N CYS A 14 -12.606 -6.596 1.226 1.00 0.00 N ATOM 207 CA CYS A 14 -11.832 -6.830 0.037 1.00 0.00 C ATOM 208 C CYS A 14 -11.010 -8.111 0.195 1.00 0.00 C ATOM 209 O CYS A 14 -10.348 -8.315 1.225 1.00 0.00 O ATOM 210 CB CYS A 14 -10.920 -5.625 -0.247 1.00 0.00 C ATOM 211 SG CYS A 14 -9.879 -5.795 -1.714 1.00 0.00 S ATOM 0 H CYS A 14 -12.174 -5.956 1.892 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.505 -6.954 -0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.540 -4.736 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.279 -5.459 0.619 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.397 -5.117 -2.695 1.00 0.00 H new ATOM 217 N GLY A 15 -11.056 -8.966 -0.814 1.00 0.00 N ATOM 218 CA GLY A 15 -10.306 -10.204 -0.791 1.00 0.00 C ATOM 219 C GLY A 15 -8.845 -9.951 -1.062 1.00 0.00 C ATOM 220 O GLY A 15 -7.973 -10.652 -0.564 1.00 0.00 O ATOM 0 H GLY A 15 -11.607 -8.822 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.422 -10.687 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.705 -10.890 -1.538 1.00 0.00 H new ATOM 224 N TYR A 16 -8.573 -8.921 -1.835 1.00 0.00 N ATOM 225 CA TYR A 16 -7.204 -8.540 -2.131 1.00 0.00 C ATOM 226 C TYR A 16 -6.509 -7.945 -0.925 1.00 0.00 C ATOM 227 O TYR A 16 -5.284 -7.912 -0.875 1.00 0.00 O ATOM 228 CB TYR A 16 -7.114 -7.582 -3.299 1.00 0.00 C ATOM 229 CG TYR A 16 -7.234 -8.219 -4.650 1.00 0.00 C ATOM 230 CD1 TYR A 16 -6.297 -9.154 -5.078 1.00 0.00 C ATOM 231 CD2 TYR A 16 -8.263 -7.881 -5.509 1.00 0.00 C ATOM 232 CE1 TYR A 16 -6.391 -9.727 -6.330 1.00 0.00 C ATOM 233 CE2 TYR A 16 -8.360 -8.444 -6.762 1.00 0.00 C ATOM 234 CZ TYR A 16 -7.422 -9.365 -7.169 1.00 0.00 C ATOM 235 OH TYR A 16 -7.516 -9.927 -8.423 1.00 0.00 O ATOM 0 H TYR A 16 -9.281 -8.331 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.692 -9.462 -2.407 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.899 -6.832 -3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.161 -7.055 -3.245 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.486 -9.435 -4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.004 -7.162 -5.192 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.660 -10.455 -6.650 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.168 -8.164 -7.422 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.300 -9.565 -8.886 1.00 0.00 H new ATOM 245 N CYS A 17 -7.292 -7.490 0.040 1.00 0.00 N ATOM 246 CA CYS A 17 -6.766 -6.917 1.263 1.00 0.00 C ATOM 247 C CYS A 17 -5.891 -7.916 1.979 1.00 0.00 C ATOM 248 O CYS A 17 -4.684 -7.712 2.126 1.00 0.00 O ATOM 249 CB CYS A 17 -7.907 -6.448 2.176 1.00 0.00 C ATOM 250 SG CYS A 17 -7.388 -5.859 3.803 1.00 0.00 S ATOM 0 H CYS A 17 -8.311 -7.509 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.159 -6.050 1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.450 -5.648 1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.607 -7.273 2.311 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.432 -5.488 4.484 1.00 0.00 H new ATOM 256 N LEU A 18 -6.486 -9.015 2.353 1.00 0.00 N ATOM 257 CA LEU A 18 -5.807 -10.060 3.070 1.00 0.00 C ATOM 258 C LEU A 18 -4.717 -10.711 2.217 1.00 0.00 C ATOM 259 O LEU A 18 -3.687 -11.139 2.737 1.00 0.00 O ATOM 260 CB LEU A 18 -6.842 -11.058 3.617 1.00 0.00 C ATOM 261 CG LEU A 18 -7.882 -11.603 2.615 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.333 -12.714 1.744 1.00 0.00 C ATOM 263 CD2 LEU A 18 -9.152 -12.020 3.316 1.00 0.00 C ATOM 0 H LEU A 18 -7.469 -9.213 2.166 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.280 -9.636 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.305 -11.905 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.378 -10.577 4.435 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.126 -10.782 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.109 -13.057 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.483 -12.342 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.011 -13.544 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.864 -12.399 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.927 -12.802 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.583 -11.161 3.830 1.00 0.00 H new ATOM 275 N ARG A 19 -4.934 -10.707 0.900 1.00 0.00 N ATOM 276 CA ARG A 19 -3.990 -11.257 -0.056 1.00 0.00 C ATOM 277 C ARG A 19 -2.680 -10.483 0.036 1.00 0.00 C ATOM 278 O ARG A 19 -1.589 -11.058 0.193 1.00 0.00 O ATOM 279 CB ARG A 19 -4.548 -11.114 -1.476 1.00 0.00 C ATOM 280 CG ARG A 19 -3.791 -11.914 -2.525 1.00 0.00 C ATOM 281 CD ARG A 19 -4.028 -13.405 -2.330 1.00 0.00 C ATOM 282 NE ARG A 19 -5.455 -13.731 -2.464 1.00 0.00 N ATOM 283 CZ ARG A 19 -6.066 -14.814 -1.976 1.00 0.00 C ATOM 284 NH1 ARG A 19 -5.380 -15.739 -1.312 1.00 0.00 N ATOM 285 NH2 ARG A 19 -7.371 -14.966 -2.170 1.00 0.00 N ATOM 0 H ARG A 19 -5.775 -10.319 0.472 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.823 -12.311 0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.592 -11.429 -1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.532 -10.061 -1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.114 -11.615 -3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.725 -11.697 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.452 -13.968 -3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.672 -13.708 -1.345 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.034 -13.067 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.376 -15.626 -1.171 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.857 -16.562 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.895 -14.260 -2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.849 -15.789 -1.802 1.00 0.00 H new ATOM 299 N LEU A 20 -2.816 -9.178 -0.019 1.00 0.00 N ATOM 300 CA LEU A 20 -1.706 -8.272 0.024 1.00 0.00 C ATOM 301 C LEU A 20 -1.037 -8.269 1.401 1.00 0.00 C ATOM 302 O LEU A 20 0.203 -8.236 1.497 1.00 0.00 O ATOM 303 CB LEU A 20 -2.181 -6.870 -0.358 1.00 0.00 C ATOM 304 CG LEU A 20 -1.150 -5.762 -0.260 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.017 -5.989 -1.220 1.00 0.00 C ATOM 306 CD2 LEU A 20 -1.785 -4.420 -0.492 1.00 0.00 C ATOM 0 H LEU A 20 -3.721 -8.714 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.956 -8.604 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.553 -6.902 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.026 -6.609 0.280 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.745 -5.779 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.734 -5.174 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.506 -6.934 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.355 -6.021 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.027 -3.641 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.233 -4.396 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.557 -4.248 0.258 1.00 0.00 H new ATOM 318 N LYS A 21 -1.852 -8.326 2.467 1.00 0.00 N ATOM 319 CA LYS A 21 -1.327 -8.336 3.837 1.00 0.00 C ATOM 320 C LYS A 21 -0.362 -9.495 4.017 1.00 0.00 C ATOM 321 O LYS A 21 0.745 -9.310 4.525 1.00 0.00 O ATOM 322 CB LYS A 21 -2.442 -8.455 4.890 1.00 0.00 C ATOM 323 CG LYS A 21 -3.509 -7.373 4.868 1.00 0.00 C ATOM 324 CD LYS A 21 -2.970 -5.973 5.100 1.00 0.00 C ATOM 325 CE LYS A 21 -4.104 -4.947 5.039 1.00 0.00 C ATOM 326 NZ LYS A 21 -5.142 -5.176 6.075 1.00 0.00 N ATOM 0 H LYS A 21 -2.869 -8.366 2.405 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.816 -7.385 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.931 -9.420 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.981 -8.460 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.020 -7.400 3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.254 -7.596 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.477 -5.923 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.217 -5.737 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.690 -3.946 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.567 -4.982 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.074 -5.259 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.929 -6.053 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.151 -4.376 6.740 1.00 0.00 H new ATOM 340 N THR A 22 -0.769 -10.678 3.555 1.00 0.00 N ATOM 341 CA THR A 22 0.038 -11.880 3.659 1.00 0.00 C ATOM 342 C THR A 22 1.391 -11.709 2.936 1.00 0.00 C ATOM 343 O THR A 22 2.453 -12.006 3.504 1.00 0.00 O ATOM 344 CB THR A 22 -0.725 -13.091 3.070 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.996 -13.226 3.731 1.00 0.00 O ATOM 346 CG2 THR A 22 0.069 -14.378 3.249 1.00 0.00 C ATOM 0 H THR A 22 -1.670 -10.823 3.099 1.00 0.00 H new ATOM 0 HA THR A 22 0.236 -12.060 4.716 1.00 0.00 H new ATOM 0 HB THR A 22 -0.871 -12.917 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.614 -12.545 3.393 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.490 -15.212 2.826 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.028 -14.288 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.239 -14.556 4.311 1.00 0.00 H new ATOM 354 N ALA A 23 1.341 -11.172 1.722 1.00 0.00 N ATOM 355 CA ALA A 23 2.529 -10.990 0.901 1.00 0.00 C ATOM 356 C ALA A 23 3.542 -10.059 1.574 1.00 0.00 C ATOM 357 O ALA A 23 4.754 -10.325 1.569 1.00 0.00 O ATOM 358 CB ALA A 23 2.143 -10.470 -0.478 1.00 0.00 C ATOM 0 H ALA A 23 0.478 -10.852 1.282 1.00 0.00 H new ATOM 0 HA ALA A 23 3.010 -11.961 0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.041 -10.338 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.480 -11.186 -0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.631 -9.513 -0.376 1.00 0.00 H new ATOM 364 N LEU A 24 3.051 -8.997 2.185 1.00 0.00 N ATOM 365 CA LEU A 24 3.930 -8.042 2.851 1.00 0.00 C ATOM 366 C LEU A 24 4.449 -8.601 4.163 1.00 0.00 C ATOM 367 O LEU A 24 5.611 -8.381 4.519 1.00 0.00 O ATOM 368 CB LEU A 24 3.230 -6.714 3.107 1.00 0.00 C ATOM 369 CG LEU A 24 2.621 -5.966 1.901 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.111 -4.622 2.346 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.614 -5.775 0.770 1.00 0.00 C ATOM 0 H LEU A 24 2.058 -8.771 2.237 1.00 0.00 H new ATOM 0 HA LEU A 24 4.770 -7.866 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.431 -6.892 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.947 -6.047 3.585 1.00 0.00 H new ATOM 0 HG LEU A 24 1.805 -6.580 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.682 -4.095 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.347 -4.758 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.935 -4.038 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.133 -5.244 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.465 -5.196 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.959 -6.748 0.420 1.00 0.00 H new ATOM 383 N THR A 25 3.606 -9.335 4.856 1.00 0.00 N ATOM 384 CA THR A 25 3.963 -9.939 6.128 1.00 0.00 C ATOM 385 C THR A 25 5.100 -10.974 5.943 1.00 0.00 C ATOM 386 O THR A 25 6.065 -11.009 6.724 1.00 0.00 O ATOM 387 CB THR A 25 2.714 -10.601 6.779 1.00 0.00 C ATOM 388 OG1 THR A 25 1.683 -9.610 6.966 1.00 0.00 O ATOM 389 CG2 THR A 25 3.040 -11.252 8.118 1.00 0.00 C ATOM 0 H THR A 25 2.651 -9.532 4.556 1.00 0.00 H new ATOM 0 HA THR A 25 4.326 -9.156 6.794 1.00 0.00 H new ATOM 0 HB THR A 25 2.369 -11.385 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.401 -9.263 6.094 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.138 -11.700 8.534 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.795 -12.024 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.420 -10.497 8.806 1.00 0.00 H new ATOM 397 N ALA A 26 5.009 -11.763 4.877 1.00 0.00 N ATOM 398 CA ALA A 26 6.005 -12.789 4.579 1.00 0.00 C ATOM 399 C ALA A 26 7.357 -12.173 4.219 1.00 0.00 C ATOM 400 O ALA A 26 8.410 -12.719 4.541 1.00 0.00 O ATOM 401 CB ALA A 26 5.515 -13.695 3.458 1.00 0.00 C ATOM 0 H ALA A 26 4.249 -11.711 4.199 1.00 0.00 H new ATOM 0 HA ALA A 26 6.145 -13.387 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.269 -14.454 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.587 -14.179 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.338 -13.101 2.561 1.00 0.00 H new ATOM 407 N ASN A 27 7.327 -11.013 3.594 1.00 0.00 N ATOM 408 CA ASN A 27 8.559 -10.354 3.172 1.00 0.00 C ATOM 409 C ASN A 27 9.079 -9.372 4.207 1.00 0.00 C ATOM 410 O ASN A 27 10.151 -8.782 4.019 1.00 0.00 O ATOM 411 CB ASN A 27 8.399 -9.664 1.808 1.00 0.00 C ATOM 412 CG ASN A 27 8.336 -10.640 0.646 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.366 -11.004 0.074 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.153 -11.060 0.278 1.00 0.00 N ATOM 0 H ASN A 27 6.472 -10.505 3.366 1.00 0.00 H new ATOM 0 HA ASN A 27 9.302 -11.145 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.491 -9.062 1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.234 -8.980 1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.063 -11.709 -0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.321 -10.739 0.773 1.00 0.00 H new ATOM 421 N ARG A 28 8.336 -9.220 5.315 1.00 0.00 N ATOM 422 CA ARG A 28 8.672 -8.269 6.391 1.00 0.00 C ATOM 423 C ARG A 28 8.806 -6.857 5.864 1.00 0.00 C ATOM 424 O ARG A 28 9.815 -6.171 6.077 1.00 0.00 O ATOM 425 CB ARG A 28 9.918 -8.671 7.171 1.00 0.00 C ATOM 426 CG ARG A 28 9.712 -9.781 8.172 1.00 0.00 C ATOM 427 CD ARG A 28 11.012 -10.067 8.871 1.00 0.00 C ATOM 428 NE ARG A 28 10.873 -10.960 10.017 1.00 0.00 N ATOM 429 CZ ARG A 28 11.913 -11.392 10.747 1.00 0.00 C ATOM 430 NH1 ARG A 28 13.160 -11.104 10.372 1.00 0.00 N ATOM 431 NH2 ARG A 28 11.706 -12.112 11.835 1.00 0.00 N ATOM 0 H ARG A 28 7.484 -9.753 5.492 1.00 0.00 H new ATOM 0 HA ARG A 28 7.835 -8.299 7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.688 -8.978 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.299 -7.795 7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.951 -9.495 8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.351 -10.678 7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.709 -10.509 8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.451 -9.127 9.204 1.00 0.00 H new ATOM 0 HE ARG A 28 9.937 -11.272 10.276 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.325 -10.554 9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.949 -11.433 10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.754 -12.341 12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.498 -12.439 12.388 1.00 0.00 H new ATOM 445 N ILE A 29 7.804 -6.438 5.170 1.00 0.00 N ATOM 446 CA ILE A 29 7.764 -5.119 4.613 1.00 0.00 C ATOM 447 C ILE A 29 7.080 -4.214 5.617 1.00 0.00 C ATOM 448 O ILE A 29 6.178 -4.653 6.325 1.00 0.00 O ATOM 449 CB ILE A 29 7.010 -5.145 3.252 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.774 -6.067 2.286 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.862 -3.740 2.664 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.095 -6.331 0.971 1.00 0.00 C ATOM 0 H ILE A 29 6.979 -7.003 4.968 1.00 0.00 H new ATOM 0 HA ILE A 29 8.768 -4.743 4.417 1.00 0.00 H new ATOM 0 HB ILE A 29 6.001 -5.528 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.752 -5.627 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.948 -7.021 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.331 -3.797 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.300 -3.113 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.849 -3.307 2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.717 -6.991 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.129 -6.805 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.946 -5.389 0.443 1.00 0.00 H new ATOM 464 N ALA A 30 7.568 -3.014 5.766 1.00 0.00 N ATOM 465 CA ALA A 30 6.959 -2.069 6.670 1.00 0.00 C ATOM 466 C ALA A 30 5.779 -1.427 5.978 1.00 0.00 C ATOM 467 O ALA A 30 5.949 -0.747 4.986 1.00 0.00 O ATOM 468 CB ALA A 30 7.972 -1.016 7.091 1.00 0.00 C ATOM 0 H ALA A 30 8.389 -2.663 5.273 1.00 0.00 H new ATOM 0 HA ALA A 30 6.617 -2.583 7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.500 -0.309 7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.811 -1.498 7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.332 -0.485 6.210 1.00 0.00 H new ATOM 474 N TYR A 31 4.595 -1.673 6.469 1.00 0.00 N ATOM 475 CA TYR A 31 3.403 -1.127 5.858 1.00 0.00 C ATOM 476 C TYR A 31 2.482 -0.513 6.884 1.00 0.00 C ATOM 477 O TYR A 31 2.468 -0.910 8.064 1.00 0.00 O ATOM 478 CB TYR A 31 2.658 -2.191 5.021 1.00 0.00 C ATOM 479 CG TYR A 31 2.206 -3.422 5.793 1.00 0.00 C ATOM 480 CD1 TYR A 31 3.066 -4.487 5.996 1.00 0.00 C ATOM 481 CD2 TYR A 31 0.918 -3.514 6.312 1.00 0.00 C ATOM 482 CE1 TYR A 31 2.672 -5.604 6.694 1.00 0.00 C ATOM 483 CE2 TYR A 31 0.513 -4.634 7.013 1.00 0.00 C ATOM 484 CZ TYR A 31 1.398 -5.676 7.202 1.00 0.00 C ATOM 485 OH TYR A 31 1.008 -6.789 7.916 1.00 0.00 O ATOM 0 H TYR A 31 4.425 -2.249 7.293 1.00 0.00 H new ATOM 0 HA TYR A 31 3.726 -0.334 5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.784 -1.726 4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.309 -2.511 4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.069 -4.440 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.225 -2.699 6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.362 -6.422 6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.489 -4.693 7.410 1.00 0.00 H new ATOM 0 HH TYR A 31 1.287 -7.598 7.438 1.00 0.00 H new ATOM 495 N ASP A 32 1.739 0.445 6.434 1.00 0.00 N ATOM 496 CA ASP A 32 0.783 1.159 7.226 1.00 0.00 C ATOM 497 C ASP A 32 -0.589 0.853 6.698 1.00 0.00 C ATOM 498 O ASP A 32 -0.884 1.145 5.553 1.00 0.00 O ATOM 499 CB ASP A 32 1.051 2.665 7.133 1.00 0.00 C ATOM 500 CG ASP A 32 2.291 3.098 7.871 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.399 3.084 7.279 1.00 0.00 O ATOM 502 OD2 ASP A 32 2.180 3.470 9.062 1.00 0.00 O ATOM 0 H ASP A 32 1.781 0.767 5.467 1.00 0.00 H new ATOM 0 HA ASP A 32 0.860 0.856 8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.145 2.946 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.192 3.205 7.532 1.00 0.00 H new ATOM 507 N GLU A 33 -1.408 0.233 7.489 1.00 0.00 N ATOM 508 CA GLU A 33 -2.734 -0.111 7.043 1.00 0.00 C ATOM 509 C GLU A 33 -3.782 0.671 7.812 1.00 0.00 C ATOM 510 O GLU A 33 -3.727 0.779 9.051 1.00 0.00 O ATOM 511 CB GLU A 33 -2.980 -1.631 7.139 1.00 0.00 C ATOM 512 CG GLU A 33 -2.860 -2.215 8.540 1.00 0.00 C ATOM 513 CD GLU A 33 -3.119 -3.699 8.573 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.252 -4.123 8.315 1.00 0.00 O ATOM 515 OE2 GLU A 33 -2.193 -4.474 8.850 1.00 0.00 O ATOM 0 H GLU A 33 -1.189 -0.047 8.445 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.818 0.165 5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.977 -1.847 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.270 -2.141 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.861 -2.015 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.566 -1.712 9.201 1.00 0.00 H new ATOM 522 N VAL A 34 -4.687 1.252 7.087 1.00 0.00 N ATOM 523 CA VAL A 34 -5.800 1.949 7.656 1.00 0.00 C ATOM 524 C VAL A 34 -7.025 1.586 6.836 1.00 0.00 C ATOM 525 O VAL A 34 -6.977 1.592 5.599 1.00 0.00 O ATOM 526 CB VAL A 34 -5.574 3.515 7.741 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.303 4.156 6.398 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.741 4.201 8.422 1.00 0.00 C ATOM 0 H VAL A 34 -4.673 1.256 6.067 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.933 1.641 8.693 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.676 3.652 8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.158 5.228 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.405 3.719 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.151 3.983 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.557 5.274 8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.654 4.012 7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.853 3.811 9.434 1.00 0.00 H new ATOM 538 N ASP A 35 -8.081 1.201 7.492 1.00 0.00 N ATOM 539 CA ASP A 35 -9.258 0.780 6.779 1.00 0.00 C ATOM 540 C ASP A 35 -10.086 2.020 6.463 1.00 0.00 C ATOM 541 O ASP A 35 -10.187 2.938 7.288 1.00 0.00 O ATOM 542 CB ASP A 35 -10.033 -0.242 7.633 1.00 0.00 C ATOM 543 CG ASP A 35 -11.297 -0.757 6.987 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.288 -0.018 6.951 1.00 0.00 O ATOM 545 OD2 ASP A 35 -11.330 -1.929 6.529 1.00 0.00 O ATOM 0 H ASP A 35 -8.155 1.169 8.509 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.004 0.287 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.379 -1.087 7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.288 0.218 8.588 1.00 0.00 H new ATOM 550 N ILE A 36 -10.674 2.051 5.304 1.00 0.00 N ATOM 551 CA ILE A 36 -11.368 3.246 4.832 1.00 0.00 C ATOM 552 C ILE A 36 -12.804 3.408 5.318 1.00 0.00 C ATOM 553 O ILE A 36 -13.390 4.463 5.127 1.00 0.00 O ATOM 554 CB ILE A 36 -11.326 3.381 3.308 1.00 0.00 C ATOM 555 CG1 ILE A 36 -12.006 2.177 2.654 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.883 3.528 2.845 1.00 0.00 C ATOM 557 CD1 ILE A 36 -12.080 2.240 1.143 1.00 0.00 C ATOM 0 H ILE A 36 -10.695 1.265 4.654 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.799 4.055 5.290 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.872 4.275 3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.469 1.273 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.017 2.087 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.857 3.624 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.444 4.417 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.313 2.649 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.577 1.346 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.644 3.123 0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.072 2.296 0.731 1.00 0.00 H new ATOM 569 N GLU A 37 -13.364 2.406 5.955 1.00 0.00 N ATOM 570 CA GLU A 37 -14.774 2.472 6.351 1.00 0.00 C ATOM 571 C GLU A 37 -15.080 3.588 7.359 1.00 0.00 C ATOM 572 O GLU A 37 -16.203 4.089 7.417 1.00 0.00 O ATOM 573 CB GLU A 37 -15.275 1.125 6.838 1.00 0.00 C ATOM 574 CG GLU A 37 -15.345 0.075 5.749 1.00 0.00 C ATOM 575 CD GLU A 37 -16.289 0.452 4.651 1.00 0.00 C ATOM 576 OE1 GLU A 37 -15.890 1.156 3.716 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.466 0.052 4.708 1.00 0.00 O ATOM 0 H GLU A 37 -12.884 1.543 6.212 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.325 2.734 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.620 0.769 7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.266 1.251 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.350 -0.078 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.658 -0.874 6.183 1.00 0.00 H new ATOM 584 N HIS A 38 -14.097 3.981 8.131 1.00 0.00 N ATOM 585 CA HIS A 38 -14.279 5.067 9.079 1.00 0.00 C ATOM 586 C HIS A 38 -13.671 6.362 8.546 1.00 0.00 C ATOM 587 O HIS A 38 -13.792 7.420 9.163 1.00 0.00 O ATOM 588 CB HIS A 38 -13.711 4.706 10.462 1.00 0.00 C ATOM 589 CG HIS A 38 -14.425 3.551 11.111 1.00 0.00 C ATOM 590 ND1 HIS A 38 -13.981 2.248 11.069 1.00 0.00 N ATOM 591 CD2 HIS A 38 -15.585 3.522 11.805 1.00 0.00 C ATOM 592 CE1 HIS A 38 -14.855 1.482 11.709 1.00 0.00 C ATOM 593 NE2 HIS A 38 -15.858 2.206 12.182 1.00 0.00 N ATOM 0 H HIS A 38 -13.163 3.571 8.126 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.350 5.228 9.202 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.654 4.461 10.361 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.776 5.578 11.113 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -16.201 4.379 12.031 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.761 0.413 11.828 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -16.663 1.871 12.712 1.00 0.00 H new ATOM 601 N ASN A 39 -13.057 6.283 7.379 1.00 0.00 N ATOM 602 CA ASN A 39 -12.445 7.445 6.747 1.00 0.00 C ATOM 603 C ASN A 39 -13.026 7.614 5.360 1.00 0.00 C ATOM 604 O ASN A 39 -12.492 7.095 4.378 1.00 0.00 O ATOM 605 CB ASN A 39 -10.899 7.355 6.674 1.00 0.00 C ATOM 606 CG ASN A 39 -10.196 7.395 8.027 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.693 7.965 8.992 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.024 6.812 8.096 1.00 0.00 N ATOM 0 H ASN A 39 -12.967 5.420 6.843 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.671 8.313 7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.626 6.431 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.529 8.178 6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.499 6.825 8.970 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.637 6.346 7.275 1.00 0.00 H new ATOM 615 N ARG A 40 -14.119 8.343 5.280 1.00 0.00 N ATOM 616 CA ARG A 40 -14.893 8.453 4.050 1.00 0.00 C ATOM 617 C ARG A 40 -14.141 9.244 2.965 1.00 0.00 C ATOM 618 O ARG A 40 -14.283 8.969 1.771 1.00 0.00 O ATOM 619 CB ARG A 40 -16.261 9.072 4.349 1.00 0.00 C ATOM 620 CG ARG A 40 -17.270 8.946 3.216 1.00 0.00 C ATOM 621 CD ARG A 40 -18.605 9.542 3.614 1.00 0.00 C ATOM 622 NE ARG A 40 -19.641 9.309 2.607 1.00 0.00 N ATOM 623 CZ ARG A 40 -20.856 9.873 2.599 1.00 0.00 C ATOM 624 NH1 ARG A 40 -21.188 10.769 3.527 1.00 0.00 N ATOM 625 NH2 ARG A 40 -21.738 9.533 1.664 1.00 0.00 N ATOM 0 H ARG A 40 -14.500 8.877 6.061 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.043 7.449 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.673 8.599 5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.125 10.128 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.891 9.452 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.399 7.896 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.923 9.113 4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.489 10.614 3.771 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.420 8.664 1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.516 11.029 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.115 11.195 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.489 8.844 0.954 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.664 9.961 1.656 1.00 0.00 H new ATOM 639 N ALA A 41 -13.311 10.188 3.381 1.00 0.00 N ATOM 640 CA ALA A 41 -12.528 10.973 2.435 1.00 0.00 C ATOM 641 C ALA A 41 -11.425 10.113 1.858 1.00 0.00 C ATOM 642 O ALA A 41 -11.119 10.188 0.666 1.00 0.00 O ATOM 643 CB ALA A 41 -11.943 12.210 3.093 1.00 0.00 C ATOM 0 H ALA A 41 -13.162 10.429 4.361 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.187 11.307 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.365 12.773 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.750 12.835 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.293 11.912 3.916 1.00 0.00 H new ATOM 649 N ALA A 42 -10.859 9.262 2.701 1.00 0.00 N ATOM 650 CA ALA A 42 -9.828 8.344 2.269 1.00 0.00 C ATOM 651 C ALA A 42 -10.426 7.311 1.333 1.00 0.00 C ATOM 652 O ALA A 42 -9.798 6.917 0.365 1.00 0.00 O ATOM 653 CB ALA A 42 -9.146 7.677 3.451 1.00 0.00 C ATOM 0 H ALA A 42 -11.100 9.192 3.690 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.063 8.908 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.377 6.994 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.688 8.437 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.883 7.120 4.030 1.00 0.00 H new ATOM 659 N ALA A 43 -11.670 6.913 1.615 1.00 0.00 N ATOM 660 CA ALA A 43 -12.418 5.978 0.772 1.00 0.00 C ATOM 661 C ALA A 43 -12.624 6.564 -0.620 1.00 0.00 C ATOM 662 O ALA A 43 -12.490 5.865 -1.646 1.00 0.00 O ATOM 663 CB ALA A 43 -13.763 5.642 1.405 1.00 0.00 C ATOM 0 H ALA A 43 -12.187 7.231 2.435 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.838 5.060 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.303 4.946 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.602 5.185 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.347 6.554 1.524 1.00 0.00 H new ATOM 669 N GLU A 44 -12.939 7.844 -0.656 1.00 0.00 N ATOM 670 CA GLU A 44 -13.108 8.560 -1.899 1.00 0.00 C ATOM 671 C GLU A 44 -11.762 8.588 -2.643 1.00 0.00 C ATOM 672 O GLU A 44 -11.692 8.255 -3.830 1.00 0.00 O ATOM 673 CB GLU A 44 -13.604 9.985 -1.615 1.00 0.00 C ATOM 674 CG GLU A 44 -13.995 10.783 -2.850 1.00 0.00 C ATOM 675 CD GLU A 44 -15.210 10.215 -3.560 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.072 9.298 -4.399 1.00 0.00 O ATOM 677 OE2 GLU A 44 -16.342 10.686 -3.304 1.00 0.00 O ATOM 0 H GLU A 44 -13.084 8.414 0.177 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.850 8.060 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.465 9.929 -0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.823 10.527 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.199 11.814 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.154 10.806 -3.543 1.00 0.00 H new ATOM 684 N PHE A 45 -10.698 8.917 -1.901 1.00 0.00 N ATOM 685 CA PHE A 45 -9.329 8.980 -2.425 1.00 0.00 C ATOM 686 C PHE A 45 -8.926 7.661 -3.084 1.00 0.00 C ATOM 687 O PHE A 45 -8.626 7.627 -4.278 1.00 0.00 O ATOM 688 CB PHE A 45 -8.337 9.340 -1.298 1.00 0.00 C ATOM 689 CG PHE A 45 -6.885 9.386 -1.728 1.00 0.00 C ATOM 690 CD1 PHE A 45 -6.364 10.518 -2.329 1.00 0.00 C ATOM 691 CD2 PHE A 45 -6.041 8.293 -1.523 1.00 0.00 C ATOM 692 CE1 PHE A 45 -5.037 10.566 -2.720 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.721 8.340 -1.911 1.00 0.00 C ATOM 694 CZ PHE A 45 -4.217 9.476 -2.509 1.00 0.00 C ATOM 0 H PHE A 45 -10.764 9.149 -0.910 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.298 9.760 -3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.612 10.311 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.441 8.612 -0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.000 11.375 -2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.428 7.400 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.644 11.455 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.080 7.487 -1.747 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.181 9.513 -2.812 1.00 0.00 H new ATOM 704 N VAL A 46 -8.963 6.576 -2.317 1.00 0.00 N ATOM 705 CA VAL A 46 -8.578 5.256 -2.820 1.00 0.00 C ATOM 706 C VAL A 46 -9.471 4.796 -3.971 1.00 0.00 C ATOM 707 O VAL A 46 -9.005 4.163 -4.899 1.00 0.00 O ATOM 708 CB VAL A 46 -8.454 4.189 -1.678 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.674 4.117 -0.857 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.180 2.822 -2.204 1.00 0.00 C ATOM 0 H VAL A 46 -9.257 6.582 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.576 5.360 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.613 4.521 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.545 3.365 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.861 5.087 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.521 3.845 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.103 2.121 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.993 2.516 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.243 2.828 -2.762 1.00 0.00 H new ATOM 720 N GLY A 47 -10.726 5.194 -3.942 1.00 0.00 N ATOM 721 CA GLY A 47 -11.631 4.851 -5.023 1.00 0.00 C ATOM 722 C GLY A 47 -11.273 5.583 -6.313 1.00 0.00 C ATOM 723 O GLY A 47 -11.488 5.069 -7.403 1.00 0.00 O ATOM 0 H GLY A 47 -11.140 5.748 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.601 3.775 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.652 5.100 -4.735 1.00 0.00 H new ATOM 727 N SER A 48 -10.688 6.762 -6.178 1.00 0.00 N ATOM 728 CA SER A 48 -10.308 7.578 -7.321 1.00 0.00 C ATOM 729 C SER A 48 -9.007 7.062 -7.954 1.00 0.00 C ATOM 730 O SER A 48 -8.778 7.207 -9.150 1.00 0.00 O ATOM 731 CB SER A 48 -10.146 9.034 -6.885 1.00 0.00 C ATOM 732 OG SER A 48 -11.331 9.514 -6.257 1.00 0.00 O ATOM 0 H SER A 48 -10.463 7.180 -5.275 1.00 0.00 H new ATOM 0 HA SER A 48 -11.096 7.514 -8.071 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.305 9.120 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.913 9.653 -7.751 1.00 0.00 H new ATOM 0 HG SER A 48 -11.478 9.026 -5.420 1.00 0.00 H new ATOM 738 N VAL A 49 -8.179 6.445 -7.147 1.00 0.00 N ATOM 739 CA VAL A 49 -6.904 5.901 -7.602 1.00 0.00 C ATOM 740 C VAL A 49 -7.008 4.395 -7.787 1.00 0.00 C ATOM 741 O VAL A 49 -6.004 3.685 -7.927 1.00 0.00 O ATOM 742 CB VAL A 49 -5.753 6.241 -6.620 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.499 7.730 -6.616 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.098 5.795 -5.218 1.00 0.00 C ATOM 0 H VAL A 49 -8.362 6.301 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.671 6.364 -8.561 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.858 5.715 -6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.689 7.959 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.222 8.054 -7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.403 8.252 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.277 6.043 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.004 6.302 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.262 4.717 -5.209 1.00 0.00 H new ATOM 754 N ASN A 50 -8.223 3.916 -7.790 1.00 0.00 N ATOM 755 CA ASN A 50 -8.483 2.506 -7.935 1.00 0.00 C ATOM 756 C ASN A 50 -8.643 2.150 -9.400 1.00 0.00 C ATOM 757 O ASN A 50 -8.434 2.993 -10.296 1.00 0.00 O ATOM 758 CB ASN A 50 -9.769 2.099 -7.190 1.00 0.00 C ATOM 759 CG ASN A 50 -9.524 1.075 -6.101 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.350 0.180 -5.851 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.450 1.216 -5.405 1.00 0.00 N ATOM 0 H ASN A 50 -9.061 4.490 -7.692 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.635 1.971 -7.508 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.224 2.987 -6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.485 1.695 -7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.260 0.585 -4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.789 1.959 -5.632 1.00 0.00 H new ATOM 768 N GLY A 51 -9.013 0.915 -9.642 1.00 0.00 N ATOM 769 CA GLY A 51 -9.309 0.466 -10.967 1.00 0.00 C ATOM 770 C GLY A 51 -10.801 0.437 -11.153 1.00 0.00 C ATOM 771 O GLY A 51 -11.436 -0.620 -11.030 1.00 0.00 O ATOM 0 H GLY A 51 -9.115 0.200 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.851 1.130 -11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.890 -0.527 -11.130 1.00 0.00 H new ATOM 775 N GLY A 52 -11.364 1.599 -11.384 1.00 0.00 N ATOM 776 CA GLY A 52 -12.783 1.735 -11.531 1.00 0.00 C ATOM 777 C GLY A 52 -13.377 2.391 -10.312 1.00 0.00 C ATOM 778 O GLY A 52 -13.453 3.610 -10.234 1.00 0.00 O ATOM 0 H GLY A 52 -10.846 2.473 -11.474 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.008 2.329 -12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.235 0.755 -11.681 1.00 0.00 H new ATOM 782 N ASN A 53 -13.747 1.582 -9.354 1.00 0.00 N ATOM 783 CA ASN A 53 -14.328 2.022 -8.086 1.00 0.00 C ATOM 784 C ASN A 53 -13.719 1.177 -6.998 1.00 0.00 C ATOM 785 O ASN A 53 -12.833 0.383 -7.294 1.00 0.00 O ATOM 786 CB ASN A 53 -15.856 1.851 -8.063 1.00 0.00 C ATOM 787 CG ASN A 53 -16.623 2.813 -8.955 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.219 3.954 -9.176 1.00 0.00 O ATOM 789 ND2 ASN A 53 -17.729 2.361 -9.462 1.00 0.00 N ATOM 0 H ASN A 53 -13.655 0.569 -9.424 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.119 3.082 -7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.097 0.831 -8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.205 1.973 -7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.295 2.958 -10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -18.033 1.409 -9.257 1.00 0.00 H new ATOM 796 N ARG A 54 -14.180 1.340 -5.749 1.00 0.00 N ATOM 797 CA ARG A 54 -13.667 0.552 -4.611 1.00 0.00 C ATOM 798 C ARG A 54 -13.757 -0.931 -4.858 1.00 0.00 C ATOM 799 O ARG A 54 -14.857 -1.500 -4.935 1.00 0.00 O ATOM 800 CB ARG A 54 -14.424 0.835 -3.321 1.00 0.00 C ATOM 801 CG ARG A 54 -13.744 1.755 -2.337 1.00 0.00 C ATOM 802 CD ARG A 54 -13.730 3.171 -2.833 1.00 0.00 C ATOM 803 NE ARG A 54 -15.083 3.652 -3.143 1.00 0.00 N ATOM 804 CZ ARG A 54 -15.362 4.808 -3.750 1.00 0.00 C ATOM 805 NH1 ARG A 54 -14.477 5.805 -3.739 1.00 0.00 N ATOM 806 NH2 ARG A 54 -16.560 4.999 -4.276 1.00 0.00 N ATOM 0 H ARG A 54 -14.907 2.010 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.625 0.857 -4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.392 1.265 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.619 -0.115 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.259 1.709 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.722 1.417 -2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.278 3.816 -2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.107 3.238 -3.725 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.868 3.059 -2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.581 5.687 -3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.695 6.686 -4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.266 4.265 -4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.778 5.880 -4.741 1.00 0.00 H new ATOM 820 N THR A 55 -12.630 -1.545 -4.998 1.00 0.00 N ATOM 821 CA THR A 55 -12.581 -2.957 -5.139 1.00 0.00 C ATOM 822 C THR A 55 -11.204 -3.491 -4.736 1.00 0.00 C ATOM 823 O THR A 55 -11.092 -4.570 -4.144 1.00 0.00 O ATOM 824 CB THR A 55 -13.001 -3.428 -6.580 1.00 0.00 C ATOM 825 OG1 THR A 55 -12.996 -4.860 -6.679 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.098 -2.840 -7.663 1.00 0.00 C ATOM 0 H THR A 55 -11.721 -1.082 -5.018 1.00 0.00 H new ATOM 0 HA THR A 55 -13.317 -3.383 -4.458 1.00 0.00 H new ATOM 0 HB THR A 55 -14.014 -3.060 -6.742 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.262 -5.126 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.426 -3.193 -8.641 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.154 -1.752 -7.632 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.069 -3.155 -7.490 1.00 0.00 H new ATOM 834 N VAL A 56 -10.172 -2.713 -4.990 1.00 0.00 N ATOM 835 CA VAL A 56 -8.823 -3.142 -4.722 1.00 0.00 C ATOM 836 C VAL A 56 -8.095 -2.170 -3.798 1.00 0.00 C ATOM 837 O VAL A 56 -8.388 -0.978 -3.788 1.00 0.00 O ATOM 838 CB VAL A 56 -8.010 -3.334 -6.035 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.471 -4.566 -6.790 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.135 -2.116 -6.933 1.00 0.00 C ATOM 0 H VAL A 56 -10.247 -1.775 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.898 -4.106 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.965 -3.464 -5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.885 -4.674 -7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.335 -5.448 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.525 -4.462 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.558 -2.275 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.183 -1.959 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.754 -1.238 -6.411 1.00 0.00 H new ATOM 850 N PRO A 57 -7.169 -2.677 -2.978 1.00 0.00 N ATOM 851 CA PRO A 57 -6.346 -1.842 -2.107 1.00 0.00 C ATOM 852 C PRO A 57 -5.430 -0.916 -2.922 1.00 0.00 C ATOM 853 O PRO A 57 -5.130 -1.177 -4.101 1.00 0.00 O ATOM 854 CB PRO A 57 -5.500 -2.858 -1.320 1.00 0.00 C ATOM 855 CG PRO A 57 -5.549 -4.104 -2.128 1.00 0.00 C ATOM 856 CD PRO A 57 -6.877 -4.105 -2.802 1.00 0.00 C ATOM 0 HA PRO A 57 -6.948 -1.192 -1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.475 -2.507 -1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.904 -3.019 -0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.741 -4.127 -2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.432 -4.984 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.843 -4.629 -3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.636 -4.599 -2.195 1.00 0.00 H new ATOM 864 N THR A 58 -5.044 0.173 -2.338 1.00 0.00 N ATOM 865 CA THR A 58 -4.125 1.086 -2.968 1.00 0.00 C ATOM 866 C THR A 58 -3.095 1.515 -1.942 1.00 0.00 C ATOM 867 O THR A 58 -3.436 1.697 -0.771 1.00 0.00 O ATOM 868 CB THR A 58 -4.873 2.320 -3.501 1.00 0.00 C ATOM 869 OG1 THR A 58 -5.938 1.858 -4.325 1.00 0.00 O ATOM 870 CG2 THR A 58 -3.970 3.191 -4.355 1.00 0.00 C ATOM 0 H THR A 58 -5.353 0.461 -1.410 1.00 0.00 H new ATOM 0 HA THR A 58 -3.638 0.592 -3.809 1.00 0.00 H new ATOM 0 HB THR A 58 -5.228 2.908 -2.655 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.825 2.209 -5.233 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.531 4.054 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.123 3.532 -3.759 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.606 2.614 -5.205 1.00 0.00 H new ATOM 878 N VAL A 59 -1.860 1.627 -2.354 1.00 0.00 N ATOM 879 CA VAL A 59 -0.813 2.045 -1.460 1.00 0.00 C ATOM 880 C VAL A 59 -0.405 3.464 -1.753 1.00 0.00 C ATOM 881 O VAL A 59 -0.263 3.851 -2.914 1.00 0.00 O ATOM 882 CB VAL A 59 0.444 1.131 -1.530 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.120 -0.251 -1.061 1.00 0.00 C ATOM 884 CG2 VAL A 59 1.013 1.075 -2.927 1.00 0.00 C ATOM 0 H VAL A 59 -1.554 1.434 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.224 1.969 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 59 1.196 1.565 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.013 -0.873 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.230 -0.212 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.660 -0.676 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.890 0.427 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.262 0.679 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.299 2.078 -3.244 1.00 0.00 H new ATOM 894 N LYS A 60 -0.289 4.237 -0.726 1.00 0.00 N ATOM 895 CA LYS A 60 0.239 5.559 -0.835 1.00 0.00 C ATOM 896 C LYS A 60 1.557 5.555 -0.110 1.00 0.00 C ATOM 897 O LYS A 60 1.588 5.390 1.105 1.00 0.00 O ATOM 898 CB LYS A 60 -0.684 6.578 -0.174 1.00 0.00 C ATOM 899 CG LYS A 60 -0.298 8.027 -0.469 1.00 0.00 C ATOM 900 CD LYS A 60 -1.187 9.010 0.265 1.00 0.00 C ATOM 901 CE LYS A 60 -1.009 8.888 1.768 1.00 0.00 C ATOM 902 NZ LYS A 60 -1.827 9.855 2.512 1.00 0.00 N ATOM 0 H LYS A 60 -0.559 3.969 0.220 1.00 0.00 H new ATOM 0 HA LYS A 60 0.343 5.835 -1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.706 6.406 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.675 6.420 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.740 8.192 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.364 8.209 -1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.951 10.026 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.229 8.829 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.272 7.878 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.041 9.036 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.326 10.141 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.000 10.692 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.736 9.418 2.767 1.00 0.00 H new ATOM 916 N PHE A 61 2.625 5.691 -0.827 1.00 0.00 N ATOM 917 CA PHE A 61 3.937 5.660 -0.220 1.00 0.00 C ATOM 918 C PHE A 61 4.240 6.967 0.453 1.00 0.00 C ATOM 919 O PHE A 61 3.564 7.969 0.204 1.00 0.00 O ATOM 920 CB PHE A 61 5.016 5.352 -1.243 1.00 0.00 C ATOM 921 CG PHE A 61 4.901 4.014 -1.896 1.00 0.00 C ATOM 922 CD1 PHE A 61 4.099 3.851 -3.001 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.609 2.920 -1.415 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.996 2.641 -3.622 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.506 1.694 -2.035 1.00 0.00 C ATOM 926 CZ PHE A 61 4.698 1.557 -3.144 1.00 0.00 C ATOM 0 H PHE A 61 2.625 5.826 -1.838 1.00 0.00 H new ATOM 0 HA PHE A 61 3.931 4.864 0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.993 6.120 -2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.988 5.419 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.542 4.694 -3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.245 3.031 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.363 2.533 -4.490 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.055 0.845 -1.655 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.616 0.600 -3.638 1.00 0.00 H new ATOM 936 N ALA A 62 5.267 6.973 1.282 1.00 0.00 N ATOM 937 CA ALA A 62 5.704 8.181 1.978 1.00 0.00 C ATOM 938 C ALA A 62 6.239 9.226 1.004 1.00 0.00 C ATOM 939 O ALA A 62 6.449 10.381 1.370 1.00 0.00 O ATOM 940 CB ALA A 62 6.748 7.851 3.022 1.00 0.00 C ATOM 0 H ALA A 62 5.824 6.146 1.495 1.00 0.00 H new ATOM 0 HA ALA A 62 4.832 8.604 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.059 8.765 3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.327 7.158 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.611 7.391 2.541 1.00 0.00 H new ATOM 946 N ASP A 63 6.462 8.819 -0.244 1.00 0.00 N ATOM 947 CA ASP A 63 6.902 9.747 -1.267 1.00 0.00 C ATOM 948 C ASP A 63 5.684 10.455 -1.853 1.00 0.00 C ATOM 949 O ASP A 63 5.811 11.414 -2.612 1.00 0.00 O ATOM 950 CB ASP A 63 7.721 9.057 -2.383 1.00 0.00 C ATOM 951 CG ASP A 63 6.904 8.309 -3.429 1.00 0.00 C ATOM 952 OD1 ASP A 63 6.444 7.194 -3.169 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.760 8.820 -4.553 1.00 0.00 O ATOM 0 H ASP A 63 6.344 7.858 -0.564 1.00 0.00 H new ATOM 0 HA ASP A 63 7.569 10.472 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.322 9.813 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.415 8.356 -1.920 1.00 0.00 H new ATOM 958 N GLY A 64 4.504 9.969 -1.494 1.00 0.00 N ATOM 959 CA GLY A 64 3.268 10.591 -1.906 1.00 0.00 C ATOM 960 C GLY A 64 2.636 9.943 -3.114 1.00 0.00 C ATOM 961 O GLY A 64 1.555 10.343 -3.531 1.00 0.00 O ATOM 0 H GLY A 64 4.384 9.139 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.562 10.560 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.456 11.642 -2.125 1.00 0.00 H new ATOM 965 N SER A 65 3.278 8.944 -3.666 1.00 0.00 N ATOM 966 CA SER A 65 2.767 8.322 -4.859 1.00 0.00 C ATOM 967 C SER A 65 1.865 7.133 -4.506 1.00 0.00 C ATOM 968 O SER A 65 2.098 6.427 -3.505 1.00 0.00 O ATOM 969 CB SER A 65 3.923 7.886 -5.763 1.00 0.00 C ATOM 970 OG SER A 65 3.469 7.524 -7.055 1.00 0.00 O ATOM 0 H SER A 65 4.148 8.547 -3.311 1.00 0.00 H new ATOM 0 HA SER A 65 2.163 9.049 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.647 8.697 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.441 7.041 -5.309 1.00 0.00 H new ATOM 0 HG SER A 65 4.233 7.253 -7.606 1.00 0.00 H new ATOM 976 N THR A 66 0.838 6.931 -5.308 1.00 0.00 N ATOM 977 CA THR A 66 -0.093 5.849 -5.130 1.00 0.00 C ATOM 978 C THR A 66 -0.013 4.831 -6.263 1.00 0.00 C ATOM 979 O THR A 66 0.154 5.197 -7.435 1.00 0.00 O ATOM 980 CB THR A 66 -1.526 6.399 -5.080 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.621 7.578 -5.897 1.00 0.00 O ATOM 982 CG2 THR A 66 -1.977 6.699 -3.676 1.00 0.00 C ATOM 0 H THR A 66 0.629 7.525 -6.110 1.00 0.00 H new ATOM 0 HA THR A 66 0.169 5.353 -4.195 1.00 0.00 H new ATOM 0 HB THR A 66 -2.189 5.626 -5.468 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.484 8.015 -5.741 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.996 7.085 -3.696 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.946 5.786 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.316 7.443 -3.233 1.00 0.00 H new ATOM 990 N LEU A 67 -0.134 3.571 -5.914 1.00 0.00 N ATOM 991 CA LEU A 67 -0.221 2.491 -6.888 1.00 0.00 C ATOM 992 C LEU A 67 -1.368 1.588 -6.505 1.00 0.00 C ATOM 993 O LEU A 67 -1.525 1.240 -5.316 1.00 0.00 O ATOM 994 CB LEU A 67 1.078 1.647 -6.996 1.00 0.00 C ATOM 995 CG LEU A 67 2.349 2.318 -7.547 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.488 1.305 -7.595 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.111 2.882 -8.943 1.00 0.00 C ATOM 0 H LEU A 67 -0.176 3.258 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.377 2.950 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.309 1.267 -6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.860 0.784 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 67 2.614 3.141 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.385 1.785 -7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.685 0.931 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.209 0.474 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.026 3.350 -9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.823 2.075 -9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.314 3.625 -8.904 1.00 0.00 H new ATOM 1009 N THR A 68 -2.180 1.250 -7.469 1.00 0.00 N ATOM 1010 CA THR A 68 -3.287 0.355 -7.284 1.00 0.00 C ATOM 1011 C THR A 68 -2.705 -1.057 -7.062 1.00 0.00 C ATOM 1012 O THR A 68 -1.777 -1.429 -7.780 1.00 0.00 O ATOM 1013 CB THR A 68 -4.151 0.384 -8.557 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.350 1.761 -8.964 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.502 -0.256 -8.317 1.00 0.00 C ATOM 0 H THR A 68 -2.088 1.597 -8.424 1.00 0.00 H new ATOM 0 HA THR A 68 -3.903 0.641 -6.431 1.00 0.00 H new ATOM 0 HB THR A 68 -3.634 -0.177 -9.335 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.029 2.176 -8.392 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.090 -0.220 -9.234 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.364 -1.294 -8.014 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.026 0.285 -7.529 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.299 -1.821 -6.109 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.799 -3.144 -5.570 1.00 0.00 C ATOM 1025 C ASN A 69 -1.554 -3.719 -6.270 1.00 0.00 C ATOM 1026 O ASN A 69 -1.646 -4.397 -7.311 1.00 0.00 O ATOM 1027 CB ASN A 69 -3.908 -4.200 -5.530 1.00 0.00 C ATOM 1028 CG ASN A 69 -3.466 -5.491 -4.841 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -2.668 -5.473 -3.931 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -3.975 -6.611 -5.281 1.00 0.00 N ATOM 0 H ASN A 69 -4.173 -1.535 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.482 -2.900 -4.556 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.774 -3.792 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.226 -4.426 -6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.702 -7.497 -4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.646 -6.599 -6.049 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.387 -3.362 -5.740 1.00 0.00 N ATOM 1038 CA PRO A 70 0.901 -3.818 -6.214 1.00 0.00 C ATOM 1039 C PRO A 70 1.424 -5.028 -5.443 1.00 0.00 C ATOM 1040 O PRO A 70 1.086 -5.248 -4.284 1.00 0.00 O ATOM 1041 CB PRO A 70 1.793 -2.606 -5.960 1.00 0.00 C ATOM 1042 CG PRO A 70 1.135 -1.854 -4.836 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.237 -2.430 -4.630 1.00 0.00 C ATOM 0 HA PRO A 70 0.863 -4.148 -7.252 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.804 -2.912 -5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.876 -1.985 -6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.725 -1.940 -3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.070 -0.792 -5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.319 -2.936 -3.668 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.004 -1.656 -4.650 1.00 0.00 H new ATOM 1051 N SER A 71 2.232 -5.811 -6.100 1.00 0.00 N ATOM 1052 CA SER A 71 2.834 -6.960 -5.490 1.00 0.00 C ATOM 1053 C SER A 71 3.919 -6.525 -4.474 1.00 0.00 C ATOM 1054 O SER A 71 4.397 -5.381 -4.512 1.00 0.00 O ATOM 1055 CB SER A 71 3.408 -7.868 -6.588 1.00 0.00 C ATOM 1056 OG SER A 71 4.040 -9.016 -6.056 1.00 0.00 O ATOM 0 H SER A 71 2.492 -5.669 -7.076 1.00 0.00 H new ATOM 0 HA SER A 71 2.084 -7.523 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.606 -8.175 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.125 -7.304 -7.185 1.00 0.00 H new ATOM 0 HG SER A 71 4.894 -9.161 -6.514 1.00 0.00 H new ATOM 1062 N ALA A 72 4.308 -7.447 -3.594 1.00 0.00 N ATOM 1063 CA ALA A 72 5.300 -7.194 -2.544 1.00 0.00 C ATOM 1064 C ALA A 72 6.645 -6.778 -3.128 1.00 0.00 C ATOM 1065 O ALA A 72 7.323 -5.910 -2.588 1.00 0.00 O ATOM 1066 CB ALA A 72 5.451 -8.422 -1.658 1.00 0.00 C ATOM 0 H ALA A 72 3.942 -8.399 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 72 4.941 -6.363 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.190 -8.222 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.493 -8.656 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.779 -9.268 -2.262 1.00 0.00 H new ATOM 1072 N ASP A 73 7.005 -7.356 -4.245 1.00 0.00 N ATOM 1073 CA ASP A 73 8.263 -7.012 -4.906 1.00 0.00 C ATOM 1074 C ASP A 73 8.172 -5.628 -5.552 1.00 0.00 C ATOM 1075 O ASP A 73 9.171 -4.916 -5.657 1.00 0.00 O ATOM 1076 CB ASP A 73 8.671 -8.082 -5.941 1.00 0.00 C ATOM 1077 CG ASP A 73 7.698 -8.233 -7.090 1.00 0.00 C ATOM 1078 OD1 ASP A 73 6.542 -8.675 -6.855 1.00 0.00 O ATOM 1079 OD2 ASP A 73 8.080 -7.973 -8.248 1.00 0.00 O ATOM 0 H ASP A 73 6.454 -8.068 -4.725 1.00 0.00 H new ATOM 0 HA ASP A 73 9.042 -6.984 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.653 -7.829 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.771 -9.042 -5.435 1.00 0.00 H new ATOM 1084 N GLU A 74 6.961 -5.234 -5.904 1.00 0.00 N ATOM 1085 CA GLU A 74 6.696 -3.948 -6.540 1.00 0.00 C ATOM 1086 C GLU A 74 6.757 -2.823 -5.517 1.00 0.00 C ATOM 1087 O GLU A 74 7.374 -1.790 -5.757 1.00 0.00 O ATOM 1088 CB GLU A 74 5.323 -3.976 -7.204 1.00 0.00 C ATOM 1089 CG GLU A 74 5.212 -4.966 -8.347 1.00 0.00 C ATOM 1090 CD GLU A 74 5.983 -4.532 -9.567 1.00 0.00 C ATOM 1091 OE1 GLU A 74 7.222 -4.624 -9.580 1.00 0.00 O ATOM 1092 OE2 GLU A 74 5.357 -4.084 -10.538 1.00 0.00 O ATOM 0 H GLU A 74 6.125 -5.799 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 74 7.459 -3.767 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.572 -4.219 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.090 -2.978 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.578 -5.938 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.162 -5.094 -8.612 1.00 0.00 H new ATOM 1099 N VAL A 75 6.127 -3.031 -4.370 1.00 0.00 N ATOM 1100 CA VAL A 75 6.156 -2.030 -3.303 1.00 0.00 C ATOM 1101 C VAL A 75 7.564 -1.821 -2.768 1.00 0.00 C ATOM 1102 O VAL A 75 7.966 -0.683 -2.490 1.00 0.00 O ATOM 1103 CB VAL A 75 5.154 -2.313 -2.147 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.760 -1.992 -2.588 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.183 -3.757 -1.754 1.00 0.00 C ATOM 0 H VAL A 75 5.594 -3.873 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 75 5.822 -1.103 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 75 5.447 -1.692 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.065 -2.193 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.699 -0.940 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.499 -2.609 -3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.474 -3.928 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.911 -4.373 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.186 -4.023 -1.420 1.00 0.00 H new ATOM 1115 N LYS A 76 8.337 -2.908 -2.686 1.00 0.00 N ATOM 1116 CA LYS A 76 9.727 -2.829 -2.255 1.00 0.00 C ATOM 1117 C LYS A 76 10.541 -1.935 -3.175 1.00 0.00 C ATOM 1118 O LYS A 76 11.391 -1.198 -2.707 1.00 0.00 O ATOM 1119 CB LYS A 76 10.380 -4.215 -2.158 1.00 0.00 C ATOM 1120 CG LYS A 76 9.916 -5.064 -0.979 1.00 0.00 C ATOM 1121 CD LYS A 76 10.585 -6.444 -0.971 1.00 0.00 C ATOM 1122 CE LYS A 76 12.103 -6.367 -0.770 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.480 -5.883 0.582 1.00 0.00 N ATOM 0 H LYS A 76 8.020 -3.850 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 76 9.718 -2.390 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.179 -4.760 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.460 -4.087 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.142 -4.546 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.834 -5.185 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.148 -7.050 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.373 -6.951 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.537 -7.354 -0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.531 -5.703 -1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.516 -5.883 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.120 -4.917 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.068 -6.510 1.302 1.00 0.00 H new ATOM 1137 N ALA A 77 10.226 -1.964 -4.471 1.00 0.00 N ATOM 1138 CA ALA A 77 10.947 -1.181 -5.474 1.00 0.00 C ATOM 1139 C ALA A 77 10.887 0.322 -5.178 1.00 0.00 C ATOM 1140 O ALA A 77 11.864 1.036 -5.374 1.00 0.00 O ATOM 1141 CB ALA A 77 10.424 -1.481 -6.870 1.00 0.00 C ATOM 0 H ALA A 77 9.467 -2.529 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 77 11.995 -1.477 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.974 -0.888 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.557 -2.540 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.365 -1.230 -6.923 1.00 0.00 H new ATOM 1147 N LYS A 78 9.751 0.803 -4.699 1.00 0.00 N ATOM 1148 CA LYS A 78 9.659 2.205 -4.348 1.00 0.00 C ATOM 1149 C LYS A 78 10.184 2.453 -2.944 1.00 0.00 C ATOM 1150 O LYS A 78 10.978 3.379 -2.707 1.00 0.00 O ATOM 1151 CB LYS A 78 8.243 2.755 -4.469 1.00 0.00 C ATOM 1152 CG LYS A 78 7.675 2.711 -5.869 1.00 0.00 C ATOM 1153 CD LYS A 78 6.354 3.459 -5.953 1.00 0.00 C ATOM 1154 CE LYS A 78 6.503 4.947 -6.329 1.00 0.00 C ATOM 1155 NZ LYS A 78 7.299 5.778 -5.385 1.00 0.00 N ATOM 0 H LYS A 78 8.902 0.258 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 78 10.281 2.736 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.588 2.189 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.236 3.787 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.388 3.149 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.528 1.674 -6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.717 2.970 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.844 3.386 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.964 5.009 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.507 5.382 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.322 6.761 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.863 5.746 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.269 5.408 -5.330 1.00 0.00 H new ATOM 1169 N LEU A 79 9.770 1.591 -2.031 1.00 0.00 N ATOM 1170 CA LEU A 79 10.070 1.705 -0.602 1.00 0.00 C ATOM 1171 C LEU A 79 11.585 1.666 -0.314 1.00 0.00 C ATOM 1172 O LEU A 79 12.073 2.346 0.605 1.00 0.00 O ATOM 1173 CB LEU A 79 9.337 0.583 0.150 1.00 0.00 C ATOM 1174 CG LEU A 79 9.470 0.544 1.674 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.896 1.791 2.321 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.801 -0.693 2.228 1.00 0.00 C ATOM 0 H LEU A 79 9.204 0.774 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 79 9.720 2.676 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.277 0.654 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.691 -0.370 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 79 10.533 0.510 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.010 1.725 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.427 2.669 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.838 1.876 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.904 -0.707 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.744 -0.684 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.273 -1.581 1.807 1.00 0.00 H new ATOM 1188 N VAL A 80 12.318 0.908 -1.116 1.00 0.00 N ATOM 1189 CA VAL A 80 13.763 0.763 -0.961 1.00 0.00 C ATOM 1190 C VAL A 80 14.477 2.127 -1.169 1.00 0.00 C ATOM 1191 O VAL A 80 15.492 2.437 -0.506 1.00 0.00 O ATOM 1192 CB VAL A 80 14.328 -0.338 -1.934 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.248 0.063 -3.401 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.726 -0.780 -1.556 1.00 0.00 C ATOM 0 H VAL A 80 11.930 0.375 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 80 13.966 0.433 0.058 1.00 0.00 H new ATOM 0 HB VAL A 80 13.671 -1.199 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.653 -0.738 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.208 0.241 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.826 0.973 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.070 -1.540 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.400 0.076 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.716 -1.195 -0.548 1.00 0.00 H new ATOM 1204 N LYS A 81 13.902 2.962 -2.033 1.00 0.00 N ATOM 1205 CA LYS A 81 14.459 4.272 -2.313 1.00 0.00 C ATOM 1206 C LYS A 81 14.099 5.218 -1.193 1.00 0.00 C ATOM 1207 O LYS A 81 14.953 5.916 -0.655 1.00 0.00 O ATOM 1208 CB LYS A 81 13.904 4.854 -3.612 1.00 0.00 C ATOM 1209 CG LYS A 81 14.069 3.996 -4.839 1.00 0.00 C ATOM 1210 CD LYS A 81 13.513 4.715 -6.056 1.00 0.00 C ATOM 1211 CE LYS A 81 13.469 3.806 -7.269 1.00 0.00 C ATOM 1212 NZ LYS A 81 14.809 3.521 -7.792 1.00 0.00 N ATOM 0 H LYS A 81 13.049 2.748 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 81 15.539 4.157 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.842 5.055 -3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.389 5.813 -3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.123 3.766 -4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.553 3.046 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.509 5.080 -5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.128 5.588 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.977 2.870 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.867 4.272 -8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.762 2.713 -8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.168 4.355 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.448 3.293 -7.004 1.00 0.00 H new ATOM 1226 N ILE A 82 12.821 5.194 -0.823 1.00 0.00 N ATOM 1227 CA ILE A 82 12.241 6.090 0.183 1.00 0.00 C ATOM 1228 C ILE A 82 12.964 5.965 1.531 1.00 0.00 C ATOM 1229 O ILE A 82 13.245 6.966 2.191 1.00 0.00 O ATOM 1230 CB ILE A 82 10.728 5.796 0.367 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.993 5.899 -0.981 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.104 6.741 1.395 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.521 5.562 -0.922 1.00 0.00 C ATOM 0 H ILE A 82 12.145 4.541 -1.219 1.00 0.00 H new ATOM 0 HA ILE A 82 12.366 7.111 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 82 10.624 4.778 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.105 6.913 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.477 5.233 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.044 6.512 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.603 6.614 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.220 7.772 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.085 5.661 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.396 4.537 -0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.019 6.244 -0.236 1.00 0.00 H new ATOM 1245 N ALA A 83 13.310 4.742 1.905 1.00 0.00 N ATOM 1246 CA ALA A 83 14.014 4.496 3.163 1.00 0.00 C ATOM 1247 C ALA A 83 15.453 5.029 3.122 1.00 0.00 C ATOM 1248 O ALA A 83 16.067 5.273 4.163 1.00 0.00 O ATOM 1249 CB ALA A 83 14.011 3.013 3.485 1.00 0.00 C ATOM 0 H ALA A 83 13.117 3.903 1.359 1.00 0.00 H new ATOM 0 HA ALA A 83 13.485 5.034 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.538 2.843 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.983 2.663 3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.510 2.466 2.685 1.00 0.00 H new ATOM 1255 N GLY A 84 15.974 5.237 1.924 1.00 0.00 N ATOM 1256 CA GLY A 84 17.338 5.703 1.783 1.00 0.00 C ATOM 1257 C GLY A 84 18.307 4.562 1.875 1.00 0.00 C ATOM 1258 O GLY A 84 19.454 4.727 2.303 1.00 0.00 O ATOM 0 H GLY A 84 15.477 5.092 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.456 6.209 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.558 6.436 2.560 1.00 0.00 H new ATOM 1262 N LEU A 85 17.837 3.397 1.495 1.00 0.00 N ATOM 1263 CA LEU A 85 18.644 2.207 1.530 1.00 0.00 C ATOM 1264 C LEU A 85 19.196 1.913 0.145 1.00 0.00 C ATOM 1265 O LEU A 85 20.331 1.461 0.011 1.00 0.00 O ATOM 1266 CB LEU A 85 17.838 1.015 2.066 1.00 0.00 C ATOM 1267 CG LEU A 85 17.328 1.108 3.511 1.00 0.00 C ATOM 1268 CD1 LEU A 85 16.475 -0.103 3.846 1.00 0.00 C ATOM 1269 CD2 LEU A 85 18.485 1.213 4.489 1.00 0.00 C ATOM 0 H LEU A 85 16.887 3.251 1.154 1.00 0.00 H new ATOM 0 HA LEU A 85 19.481 2.372 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 85 16.978 0.867 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.458 0.123 1.983 1.00 0.00 H new ATOM 0 HG LEU A 85 16.720 2.009 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 85 16.120 -0.025 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.622 -0.145 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 85 17.071 -1.009 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 85 18.097 1.278 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 85 19.120 0.331 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.070 2.105 4.266 1.00 0.00 H new ATOM 1281 N GLU A 86 18.393 2.178 -0.887 1.00 0.00 N ATOM 1282 CA GLU A 86 18.844 1.988 -2.251 1.00 0.00 C ATOM 1283 C GLU A 86 19.840 3.064 -2.620 1.00 0.00 C ATOM 1284 O GLU A 86 19.511 4.264 -2.647 1.00 0.00 O ATOM 1285 CB GLU A 86 17.690 1.999 -3.275 1.00 0.00 C ATOM 1286 CG GLU A 86 18.162 1.738 -4.711 1.00 0.00 C ATOM 1287 CD GLU A 86 17.084 1.895 -5.759 1.00 0.00 C ATOM 1288 OE1 GLU A 86 16.920 3.000 -6.295 1.00 0.00 O ATOM 1289 OE2 GLU A 86 16.420 0.914 -6.109 1.00 0.00 O ATOM 0 H GLU A 86 17.437 2.521 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 86 19.308 1.003 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.957 1.242 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.184 2.964 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.979 2.421 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.565 0.727 -4.770 1.00 0.00 H new ATOM 1296 N HIS A 87 21.045 2.647 -2.830 1.00 0.00 N ATOM 1297 CA HIS A 87 22.083 3.506 -3.334 1.00 0.00 C ATOM 1298 C HIS A 87 22.483 2.944 -4.680 1.00 0.00 C ATOM 1299 O HIS A 87 22.313 3.583 -5.721 1.00 0.00 O ATOM 1300 CB HIS A 87 23.300 3.545 -2.379 1.00 0.00 C ATOM 1301 CG HIS A 87 22.985 4.035 -0.990 1.00 0.00 C ATOM 1302 ND1 HIS A 87 23.178 3.292 0.154 1.00 0.00 N ATOM 1303 CD2 HIS A 87 22.490 5.226 -0.577 1.00 0.00 C ATOM 1304 CE1 HIS A 87 22.800 4.031 1.197 1.00 0.00 C ATOM 1305 NE2 HIS A 87 22.374 5.217 0.810 1.00 0.00 N ATOM 0 H HIS A 87 21.347 1.689 -2.656 1.00 0.00 H new ATOM 0 HA HIS A 87 21.725 4.532 -3.418 1.00 0.00 H new ATOM 0 HB2 HIS A 87 23.725 2.544 -2.310 1.00 0.00 H new ATOM 0 HB3 HIS A 87 24.066 4.187 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 87 22.227 6.052 -1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 87 22.838 3.701 2.225 1.00 0.00 H new ATOM 0 HE2 HIS A 87 22.031 5.972 1.404 1.00 0.00 H new ATOM 1313 N HIS A 88 22.950 1.711 -4.637 1.00 0.00 N ATOM 1314 CA HIS A 88 23.338 0.920 -5.787 1.00 0.00 C ATOM 1315 C HIS A 88 23.873 -0.383 -5.254 1.00 0.00 C ATOM 1316 O HIS A 88 23.121 -1.366 -5.204 1.00 0.00 O ATOM 1317 CB HIS A 88 24.399 1.621 -6.667 1.00 0.00 C ATOM 1318 CG HIS A 88 24.737 0.883 -7.936 1.00 0.00 C ATOM 1319 ND1 HIS A 88 23.997 0.974 -9.094 1.00 0.00 N ATOM 1320 CD2 HIS A 88 25.761 0.036 -8.213 1.00 0.00 C ATOM 1321 CE1 HIS A 88 24.572 0.200 -10.017 1.00 0.00 C ATOM 1322 NE2 HIS A 88 25.654 -0.396 -9.534 1.00 0.00 N ATOM 0 H HIS A 88 23.075 1.211 -3.757 1.00 0.00 H new ATOM 0 HA HIS A 88 22.474 0.770 -6.434 1.00 0.00 H new ATOM 0 HB2 HIS A 88 24.040 2.617 -6.925 1.00 0.00 H new ATOM 0 HB3 HIS A 88 25.310 1.752 -6.083 1.00 0.00 H new ATOM 0 HD2 HIS A 88 26.536 -0.257 -7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 88 24.204 0.075 -11.025 1.00 0.00 H new ATOM 0 HE2 HIS A 88 26.277 -1.036 -10.026 1.00 0.00 H new TER 1330 HIS A 88