USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 14 SER OG : rot 180:sc= 0.393 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.555 X(o=0.95,f=0.55) USER MOD Single : A 1 ALA N :NH3+ 153:sc= 0.00573 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 75:sc= 1.33 USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00382 USER MOD Single : A 10 SER OG : rot -145:sc= -1.13 USER MOD Single : A 11 SER OG : rot 180:sc= -0.684 USER MOD Single : A 17 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.68) USER MOD Single : A 30 THR OG1 : rot 82:sc= 1.02 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.48! USER MOD Single : A 36 GLN : amide:sc= -1.76! C(o=-1.8!,f=-6.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 48 ASN : amide:sc= -1.56 K(o=-1.6,f=-8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0656 USER MOD Single : A 56 THR OG1 : rot 18:sc= 0.116 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 62 SER OG : rot 62:sc= 0.467 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00682 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -74:sc= 1.28 USER MOD Single : A 81 THR OG1 : rot 112:sc= 1.08 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.572 USER MOD Single : A 90 THR OG1 : rot -37:sc= 0.851 USER MOD Single : A 94 GLN :FLIP amide:sc= -1.3 F(o=-2.5!,f=-1.3) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.609 5.412 16.157 1.00 0.00 N ATOM 2 CA ALA A 1 -17.110 4.364 15.245 1.00 0.00 C ATOM 3 C ALA A 1 -16.028 3.334 14.978 1.00 0.00 C ATOM 4 O ALA A 1 -14.864 3.684 14.775 1.00 0.00 O ATOM 5 CB ALA A 1 -17.581 4.980 13.940 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.126 6.298 15.985 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.753 5.112 17.142 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.595 5.565 15.986 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.955 3.867 15.721 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.947 4.195 13.278 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.384 5.689 14.141 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.750 5.499 13.462 1.00 0.00 H new ATOM 11 N ALA A 2 -16.411 2.068 14.973 1.00 0.00 N ATOM 12 CA ALA A 2 -15.468 0.986 14.735 1.00 0.00 C ATOM 13 C ALA A 2 -15.607 0.443 13.316 1.00 0.00 C ATOM 14 O ALA A 2 -16.621 -0.166 12.976 1.00 0.00 O ATOM 15 CB ALA A 2 -15.675 -0.128 15.751 1.00 0.00 C ATOM 0 H ALA A 2 -17.371 1.763 15.131 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.459 1.383 14.849 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.963 -0.931 15.561 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.521 0.263 16.757 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.690 -0.516 15.664 1.00 0.00 H new ATOM 21 N PRO A 3 -14.598 0.681 12.464 1.00 0.00 N ATOM 22 CA PRO A 3 -14.598 0.205 11.084 1.00 0.00 C ATOM 23 C PRO A 3 -14.104 -1.236 10.975 1.00 0.00 C ATOM 24 O PRO A 3 -13.810 -1.883 11.982 1.00 0.00 O ATOM 25 CB PRO A 3 -13.630 1.165 10.399 1.00 0.00 C ATOM 26 CG PRO A 3 -12.641 1.519 11.457 1.00 0.00 C ATOM 27 CD PRO A 3 -13.376 1.449 12.775 1.00 0.00 C ATOM 0 HA PRO A 3 -15.594 0.193 10.642 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.145 0.695 9.544 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.146 2.050 10.026 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.798 0.828 11.446 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.237 2.518 11.291 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.777 0.954 13.540 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.615 2.444 13.152 1.00 0.00 H new ATOM 35 N THR A 4 -14.023 -1.740 9.755 1.00 0.00 N ATOM 36 CA THR A 4 -13.563 -3.096 9.519 1.00 0.00 C ATOM 37 C THR A 4 -12.476 -3.119 8.449 1.00 0.00 C ATOM 38 O THR A 4 -12.737 -2.842 7.277 1.00 0.00 O ATOM 39 CB THR A 4 -14.730 -4.000 9.085 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.876 -3.748 9.912 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.349 -5.469 9.174 1.00 0.00 C ATOM 0 H THR A 4 -14.271 -1.227 8.909 1.00 0.00 H new ATOM 0 HA THR A 4 -13.150 -3.474 10.454 1.00 0.00 H new ATOM 0 HB THR A 4 -14.969 -3.770 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.616 -4.325 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.193 -6.083 8.861 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.497 -5.664 8.523 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.083 -5.714 10.202 1.00 0.00 H new ATOM 49 N ALA A 5 -11.257 -3.438 8.854 1.00 0.00 N ATOM 50 CA ALA A 5 -10.137 -3.486 7.929 1.00 0.00 C ATOM 51 C ALA A 5 -9.816 -4.921 7.528 1.00 0.00 C ATOM 52 O ALA A 5 -8.941 -5.560 8.112 1.00 0.00 O ATOM 53 CB ALA A 5 -8.912 -2.817 8.543 1.00 0.00 C ATOM 0 H ALA A 5 -11.018 -3.668 9.819 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.419 -2.941 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.082 -2.861 7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.141 -1.776 8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.636 -3.335 9.461 1.00 0.00 H new ATOM 59 N THR A 6 -10.541 -5.430 6.546 1.00 0.00 N ATOM 60 CA THR A 6 -10.319 -6.783 6.064 1.00 0.00 C ATOM 61 C THR A 6 -9.197 -6.793 5.027 1.00 0.00 C ATOM 62 O THR A 6 -9.308 -6.158 3.979 1.00 0.00 O ATOM 63 CB THR A 6 -11.604 -7.365 5.443 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.594 -6.330 5.313 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.154 -8.495 6.301 1.00 0.00 C ATOM 0 H THR A 6 -11.288 -4.927 6.067 1.00 0.00 H new ATOM 0 HA THR A 6 -10.033 -7.403 6.914 1.00 0.00 H new ATOM 0 HB THR A 6 -11.361 -7.764 4.458 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.360 -5.746 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.061 -8.891 5.844 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.410 -9.288 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.385 -8.116 7.297 1.00 0.00 H new ATOM 73 N VAL A 7 -8.107 -7.483 5.327 1.00 0.00 N ATOM 74 CA VAL A 7 -6.979 -7.550 4.407 1.00 0.00 C ATOM 75 C VAL A 7 -6.450 -8.972 4.281 1.00 0.00 C ATOM 76 O VAL A 7 -6.395 -9.717 5.262 1.00 0.00 O ATOM 77 CB VAL A 7 -5.820 -6.623 4.846 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.081 -5.186 4.417 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.598 -6.700 6.353 1.00 0.00 C ATOM 0 H VAL A 7 -7.979 -8.002 6.195 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.353 -7.214 3.440 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.912 -6.968 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.252 -4.554 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.173 -5.141 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.005 -4.832 4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.778 -6.039 6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.506 -6.392 6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.351 -7.724 6.632 1.00 0.00 H new ATOM 89 N THR A 8 -6.069 -9.341 3.069 1.00 0.00 N ATOM 90 CA THR A 8 -5.524 -10.661 2.806 1.00 0.00 C ATOM 91 C THR A 8 -4.023 -10.557 2.544 1.00 0.00 C ATOM 92 O THR A 8 -3.600 -10.181 1.447 1.00 0.00 O ATOM 93 CB THR A 8 -6.212 -11.329 1.599 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.631 -11.134 1.675 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.907 -12.817 1.555 1.00 0.00 C ATOM 0 H THR A 8 -6.128 -8.740 2.247 1.00 0.00 H new ATOM 0 HA THR A 8 -5.707 -11.279 3.685 1.00 0.00 H new ATOM 0 HB THR A 8 -5.826 -10.867 0.690 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.061 -11.559 0.904 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.404 -13.265 0.694 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.830 -12.965 1.470 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.268 -13.289 2.469 1.00 0.00 H new ATOM 103 N PRO A 9 -3.200 -10.864 3.557 1.00 0.00 N ATOM 104 CA PRO A 9 -1.749 -10.789 3.441 1.00 0.00 C ATOM 105 C PRO A 9 -1.156 -11.977 2.686 1.00 0.00 C ATOM 106 O PRO A 9 -1.567 -13.123 2.876 1.00 0.00 O ATOM 107 CB PRO A 9 -1.284 -10.785 4.895 1.00 0.00 C ATOM 108 CG PRO A 9 -2.332 -11.549 5.631 1.00 0.00 C ATOM 109 CD PRO A 9 -3.627 -11.312 4.897 1.00 0.00 C ATOM 0 HA PRO A 9 -1.429 -9.916 2.873 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.306 -11.254 4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.192 -9.769 5.278 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.090 -12.612 5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.404 -11.211 6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.227 -12.220 4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.236 -10.558 5.395 1.00 0.00 H new ATOM 117 N SER A 10 -0.179 -11.692 1.837 1.00 0.00 N ATOM 118 CA SER A 10 0.489 -12.719 1.046 1.00 0.00 C ATOM 119 C SER A 10 1.647 -13.344 1.830 1.00 0.00 C ATOM 120 O SER A 10 2.661 -13.744 1.255 1.00 0.00 O ATOM 121 CB SER A 10 1.002 -12.104 -0.257 1.00 0.00 C ATOM 122 OG SER A 10 0.117 -11.100 -0.718 1.00 0.00 O ATOM 0 H SER A 10 0.172 -10.748 1.677 1.00 0.00 H new ATOM 0 HA SER A 10 -0.227 -13.508 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.993 -11.678 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.106 -12.880 -1.015 1.00 0.00 H new ATOM 0 HG SER A 10 0.096 -11.108 -1.698 1.00 0.00 H new ATOM 128 N SER A 11 1.475 -13.432 3.142 1.00 0.00 N ATOM 129 CA SER A 11 2.488 -14.001 4.017 1.00 0.00 C ATOM 130 C SER A 11 2.696 -15.485 3.724 1.00 0.00 C ATOM 131 O SER A 11 1.827 -16.315 4.000 1.00 0.00 O ATOM 132 CB SER A 11 2.074 -13.792 5.475 1.00 0.00 C ATOM 133 OG SER A 11 1.497 -12.506 5.655 1.00 0.00 O ATOM 0 H SER A 11 0.636 -13.113 3.626 1.00 0.00 H new ATOM 0 HA SER A 11 3.436 -13.494 3.835 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.359 -14.561 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.943 -13.900 6.124 1.00 0.00 H new ATOM 0 HG SER A 11 1.237 -12.392 6.593 1.00 0.00 H new ATOM 139 N GLY A 12 3.842 -15.803 3.143 1.00 0.00 N ATOM 140 CA GLY A 12 4.147 -17.175 2.816 1.00 0.00 C ATOM 141 C GLY A 12 4.036 -17.440 1.329 1.00 0.00 C ATOM 142 O GLY A 12 4.326 -18.540 0.866 1.00 0.00 O ATOM 0 H GLY A 12 4.567 -15.131 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.156 -17.413 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.468 -17.836 3.354 1.00 0.00 H new ATOM 146 N LEU A 13 3.615 -16.433 0.578 1.00 0.00 N ATOM 147 CA LEU A 13 3.469 -16.571 -0.862 1.00 0.00 C ATOM 148 C LEU A 13 4.690 -15.993 -1.560 1.00 0.00 C ATOM 149 O LEU A 13 5.488 -15.296 -0.939 1.00 0.00 O ATOM 150 CB LEU A 13 2.191 -15.878 -1.336 1.00 0.00 C ATOM 151 CG LEU A 13 0.909 -16.377 -0.663 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.312 -15.672 -1.231 1.00 0.00 C ATOM 153 CD2 LEU A 13 0.774 -17.887 -0.817 1.00 0.00 C ATOM 0 H LEU A 13 3.369 -15.513 0.942 1.00 0.00 H new ATOM 0 HA LEU A 13 3.392 -17.629 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.286 -14.807 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.097 -16.015 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 13 0.973 -16.143 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.210 -16.044 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.223 -14.599 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.380 -15.867 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.143 -18.222 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.739 -18.143 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.630 -18.378 -0.353 1.00 0.00 H new ATOM 165 N SER A 14 4.845 -16.302 -2.834 1.00 0.00 N ATOM 166 CA SER A 14 5.986 -15.825 -3.601 1.00 0.00 C ATOM 167 C SER A 14 5.745 -14.418 -4.150 1.00 0.00 C ATOM 168 O SER A 14 4.678 -13.835 -3.945 1.00 0.00 O ATOM 169 CB SER A 14 6.267 -16.805 -4.741 1.00 0.00 C ATOM 170 OG SER A 14 6.196 -18.148 -4.287 1.00 0.00 O ATOM 0 H SER A 14 4.194 -16.883 -3.363 1.00 0.00 H new ATOM 0 HA SER A 14 6.852 -15.769 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.546 -16.650 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.255 -16.610 -5.158 1.00 0.00 H new ATOM 0 HG SER A 14 6.378 -18.756 -5.034 1.00 0.00 H new ATOM 176 N ASP A 15 6.740 -13.864 -4.834 1.00 0.00 N ATOM 177 CA ASP A 15 6.609 -12.532 -5.413 1.00 0.00 C ATOM 178 C ASP A 15 5.739 -12.592 -6.662 1.00 0.00 C ATOM 179 O ASP A 15 5.689 -13.614 -7.348 1.00 0.00 O ATOM 180 CB ASP A 15 7.979 -11.930 -5.756 1.00 0.00 C ATOM 181 CG ASP A 15 8.714 -12.697 -6.838 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.313 -13.742 -6.519 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.709 -12.250 -8.002 1.00 0.00 O ATOM 0 H ASP A 15 7.641 -14.313 -5.000 1.00 0.00 H new ATOM 0 HA ASP A 15 6.137 -11.888 -4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.845 -10.898 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.593 -11.905 -4.856 1.00 0.00 H new ATOM 188 N GLY A 16 5.048 -11.500 -6.946 1.00 0.00 N ATOM 189 CA GLY A 16 4.173 -11.453 -8.102 1.00 0.00 C ATOM 190 C GLY A 16 2.743 -11.771 -7.727 1.00 0.00 C ATOM 191 O GLY A 16 1.824 -11.587 -8.523 1.00 0.00 O ATOM 0 H GLY A 16 5.076 -10.642 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.220 -10.463 -8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.520 -12.164 -8.852 1.00 0.00 H new ATOM 195 N THR A 17 2.563 -12.250 -6.505 1.00 0.00 N ATOM 196 CA THR A 17 1.245 -12.597 -6.003 1.00 0.00 C ATOM 197 C THR A 17 0.427 -11.335 -5.717 1.00 0.00 C ATOM 198 O THR A 17 0.985 -10.264 -5.463 1.00 0.00 O ATOM 199 CB THR A 17 1.356 -13.457 -4.732 1.00 0.00 C ATOM 200 OG1 THR A 17 2.370 -14.454 -4.913 1.00 0.00 O ATOM 201 CG2 THR A 17 0.034 -14.137 -4.413 1.00 0.00 C ATOM 0 H THR A 17 3.320 -12.407 -5.840 1.00 0.00 H new ATOM 0 HA THR A 17 0.733 -13.177 -6.771 1.00 0.00 H new ATOM 0 HB THR A 17 1.618 -12.803 -3.900 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.250 -14.063 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.142 -14.738 -3.510 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.735 -13.381 -4.256 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.254 -14.780 -5.244 1.00 0.00 H new ATOM 209 N VAL A 18 -0.891 -11.469 -5.757 1.00 0.00 N ATOM 210 CA VAL A 18 -1.787 -10.347 -5.533 1.00 0.00 C ATOM 211 C VAL A 18 -2.190 -10.222 -4.062 1.00 0.00 C ATOM 212 O VAL A 18 -2.464 -11.216 -3.391 1.00 0.00 O ATOM 213 CB VAL A 18 -3.054 -10.493 -6.400 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.967 -9.290 -6.256 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.678 -10.704 -7.856 1.00 0.00 C ATOM 0 H VAL A 18 -1.365 -12.352 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.248 -9.443 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.600 -11.368 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.850 -9.426 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.272 -9.187 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.436 -8.391 -6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.583 -10.805 -8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.102 -9.849 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.078 -11.609 -7.949 1.00 0.00 H new ATOM 225 N VAL A 19 -2.198 -8.991 -3.573 1.00 0.00 N ATOM 226 CA VAL A 19 -2.583 -8.691 -2.206 1.00 0.00 C ATOM 227 C VAL A 19 -3.969 -8.060 -2.213 1.00 0.00 C ATOM 228 O VAL A 19 -4.194 -7.064 -2.904 1.00 0.00 O ATOM 229 CB VAL A 19 -1.599 -7.713 -1.531 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.798 -7.708 -0.022 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.156 -8.049 -1.887 1.00 0.00 C ATOM 0 H VAL A 19 -1.936 -8.169 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.575 -9.624 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.809 -6.712 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.095 -7.012 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.817 -7.399 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.625 -8.710 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.514 -7.343 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.075 -9.060 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.023 -7.985 -2.967 1.00 0.00 H new ATOM 241 N LYS A 20 -4.896 -8.628 -1.460 1.00 0.00 N ATOM 242 CA LYS A 20 -6.258 -8.114 -1.425 1.00 0.00 C ATOM 243 C LYS A 20 -6.482 -7.200 -0.224 1.00 0.00 C ATOM 244 O LYS A 20 -6.144 -7.551 0.908 1.00 0.00 O ATOM 245 CB LYS A 20 -7.264 -9.264 -1.383 1.00 0.00 C ATOM 246 CG LYS A 20 -8.710 -8.808 -1.495 1.00 0.00 C ATOM 247 CD LYS A 20 -9.673 -9.952 -1.234 1.00 0.00 C ATOM 248 CE LYS A 20 -9.442 -11.107 -2.196 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.653 -11.951 -2.353 1.00 0.00 N ATOM 0 H LYS A 20 -4.733 -9.442 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.408 -7.532 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.046 -9.957 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.136 -9.815 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.896 -8.004 -0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.888 -8.400 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.554 -10.302 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.698 -9.595 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.145 -10.715 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.617 -11.721 -1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.452 -12.726 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.922 -12.347 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.434 -11.372 -2.723 1.00 0.00 H new ATOM 263 N VAL A 21 -7.053 -6.034 -0.486 1.00 0.00 N ATOM 264 CA VAL A 21 -7.348 -5.058 0.553 1.00 0.00 C ATOM 265 C VAL A 21 -8.820 -4.657 0.482 1.00 0.00 C ATOM 266 O VAL A 21 -9.252 -4.034 -0.487 1.00 0.00 O ATOM 267 CB VAL A 21 -6.462 -3.801 0.402 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.804 -2.764 1.457 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.987 -4.169 0.475 1.00 0.00 C ATOM 0 H VAL A 21 -7.325 -5.738 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.136 -5.515 1.520 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.661 -3.367 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.166 -1.890 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.848 -2.470 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.644 -3.187 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.382 -3.269 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.775 -4.635 1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.746 -4.867 -0.327 1.00 0.00 H new ATOM 279 N ALA A 22 -9.587 -5.025 1.498 1.00 0.00 N ATOM 280 CA ALA A 22 -11.008 -4.709 1.536 1.00 0.00 C ATOM 281 C ALA A 22 -11.348 -3.863 2.757 1.00 0.00 C ATOM 282 O ALA A 22 -11.641 -4.391 3.831 1.00 0.00 O ATOM 283 CB ALA A 22 -11.833 -5.990 1.532 1.00 0.00 C ATOM 0 H ALA A 22 -9.249 -5.544 2.309 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.252 -4.130 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.894 -5.740 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.618 -6.558 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.578 -6.590 2.406 1.00 0.00 H new ATOM 289 N GLY A 23 -11.299 -2.552 2.596 1.00 0.00 N ATOM 290 CA GLY A 23 -11.613 -1.669 3.697 1.00 0.00 C ATOM 291 C GLY A 23 -13.096 -1.374 3.778 1.00 0.00 C ATOM 292 O GLY A 23 -13.694 -0.934 2.796 1.00 0.00 O ATOM 0 H GLY A 23 -11.048 -2.084 1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.281 -2.122 4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.063 -0.735 3.582 1.00 0.00 H new ATOM 296 N ALA A 24 -13.694 -1.639 4.930 1.00 0.00 N ATOM 297 CA ALA A 24 -15.116 -1.393 5.133 1.00 0.00 C ATOM 298 C ALA A 24 -15.328 -0.421 6.287 1.00 0.00 C ATOM 299 O ALA A 24 -14.678 -0.526 7.329 1.00 0.00 O ATOM 300 CB ALA A 24 -15.854 -2.701 5.386 1.00 0.00 C ATOM 0 H ALA A 24 -13.215 -2.026 5.743 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.523 -0.943 4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.914 -2.497 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.729 -3.361 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.448 -3.182 6.276 1.00 0.00 H new ATOM 306 N GLY A 25 -16.234 0.525 6.099 1.00 0.00 N ATOM 307 CA GLY A 25 -16.498 1.509 7.131 1.00 0.00 C ATOM 308 C GLY A 25 -15.551 2.679 7.019 1.00 0.00 C ATOM 309 O GLY A 25 -15.189 3.306 8.016 1.00 0.00 O ATOM 0 H GLY A 25 -16.792 0.631 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.527 1.860 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.396 1.047 8.113 1.00 0.00 H new ATOM 313 N LEU A 26 -15.137 2.955 5.793 1.00 0.00 N ATOM 314 CA LEU A 26 -14.217 4.042 5.514 1.00 0.00 C ATOM 315 C LEU A 26 -14.977 5.335 5.228 1.00 0.00 C ATOM 316 O LEU A 26 -16.180 5.429 5.483 1.00 0.00 O ATOM 317 CB LEU A 26 -13.332 3.666 4.322 1.00 0.00 C ATOM 318 CG LEU A 26 -12.517 2.381 4.495 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.673 2.113 3.258 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.639 2.471 5.733 1.00 0.00 C ATOM 0 H LEU A 26 -15.429 2.433 4.967 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.590 4.209 6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.964 3.561 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.645 4.489 4.126 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.209 1.549 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.101 1.196 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.324 2.005 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.989 2.946 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.067 1.550 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.955 3.314 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.265 2.614 6.614 1.00 0.00 H new ATOM 332 N GLN A 27 -14.278 6.331 4.704 1.00 0.00 N ATOM 333 CA GLN A 27 -14.898 7.604 4.386 1.00 0.00 C ATOM 334 C GLN A 27 -15.328 7.635 2.924 1.00 0.00 C ATOM 335 O GLN A 27 -14.491 7.750 2.023 1.00 0.00 O ATOM 336 CB GLN A 27 -13.936 8.753 4.687 1.00 0.00 C ATOM 337 CG GLN A 27 -14.626 10.102 4.796 1.00 0.00 C ATOM 338 CD GLN A 27 -15.680 10.139 5.886 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.537 9.504 6.937 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.754 10.866 5.634 1.00 0.00 N ATOM 0 H GLN A 27 -13.282 6.280 4.491 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.785 7.724 5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.412 8.544 5.620 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.182 8.801 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.880 10.871 4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.090 10.345 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.831 11.374 4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.507 10.919 6.320 1.00 0.00 H new ATOM 349 N ALA A 28 -16.632 7.527 2.696 1.00 0.00 N ATOM 350 CA ALA A 28 -17.191 7.529 1.347 1.00 0.00 C ATOM 351 C ALA A 28 -16.807 8.788 0.574 1.00 0.00 C ATOM 352 O ALA A 28 -16.799 9.895 1.124 1.00 0.00 O ATOM 353 CB ALA A 28 -18.706 7.383 1.410 1.00 0.00 C ATOM 0 H ALA A 28 -17.329 7.436 3.435 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.770 6.679 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.114 7.386 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.961 6.444 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.129 8.215 1.974 1.00 0.00 H new ATOM 359 N GLY A 29 -16.456 8.604 -0.696 1.00 0.00 N ATOM 360 CA GLY A 29 -16.087 9.727 -1.539 1.00 0.00 C ATOM 361 C GLY A 29 -14.605 10.042 -1.494 1.00 0.00 C ATOM 362 O GLY A 29 -14.124 10.915 -2.219 1.00 0.00 O ATOM 0 H GLY A 29 -16.421 7.695 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.376 9.512 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.649 10.607 -1.228 1.00 0.00 H new ATOM 366 N THR A 30 -13.877 9.329 -0.655 1.00 0.00 N ATOM 367 CA THR A 30 -12.448 9.550 -0.515 1.00 0.00 C ATOM 368 C THR A 30 -11.653 8.437 -1.189 1.00 0.00 C ATOM 369 O THR A 30 -12.049 7.269 -1.152 1.00 0.00 O ATOM 370 CB THR A 30 -12.047 9.634 0.970 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.137 10.164 1.736 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.816 10.510 1.156 1.00 0.00 C ATOM 0 H THR A 30 -14.251 8.591 -0.059 1.00 0.00 H new ATOM 0 HA THR A 30 -12.217 10.497 -1.002 1.00 0.00 H new ATOM 0 HB THR A 30 -11.808 8.629 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.773 9.447 1.940 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.555 10.552 2.214 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.982 10.090 0.593 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.028 11.516 0.795 1.00 0.00 H new ATOM 380 N ALA A 31 -10.543 8.811 -1.814 1.00 0.00 N ATOM 381 CA ALA A 31 -9.677 7.857 -2.484 1.00 0.00 C ATOM 382 C ALA A 31 -8.634 7.335 -1.510 1.00 0.00 C ATOM 383 O ALA A 31 -8.174 8.064 -0.629 1.00 0.00 O ATOM 384 CB ALA A 31 -9.014 8.493 -3.699 1.00 0.00 C ATOM 0 H ALA A 31 -10.222 9.778 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.280 7.019 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.370 7.761 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.780 8.825 -4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.417 9.348 -3.382 1.00 0.00 H new ATOM 390 N TYR A 32 -8.281 6.074 -1.656 1.00 0.00 N ATOM 391 CA TYR A 32 -7.303 5.458 -0.786 1.00 0.00 C ATOM 392 C TYR A 32 -6.104 4.979 -1.587 1.00 0.00 C ATOM 393 O TYR A 32 -6.245 4.275 -2.592 1.00 0.00 O ATOM 394 CB TYR A 32 -7.935 4.303 -0.001 1.00 0.00 C ATOM 395 CG TYR A 32 -8.883 4.767 1.086 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.177 5.175 0.781 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.472 4.820 2.411 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.035 5.618 1.766 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.326 5.266 3.403 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.605 5.667 3.073 1.00 0.00 C ATOM 401 OH TYR A 32 -11.459 6.121 4.054 1.00 0.00 O ATOM 0 H TYR A 32 -8.659 5.454 -2.373 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.956 6.204 -0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.474 3.655 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.144 3.702 0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.516 5.144 -0.244 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.471 4.508 2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.039 5.925 1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.994 5.300 4.430 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.005 6.093 4.922 1.00 0.00 H new ATOM 411 N ASP A 33 -4.934 5.396 -1.148 1.00 0.00 N ATOM 412 CA ASP A 33 -3.687 5.030 -1.793 1.00 0.00 C ATOM 413 C ASP A 33 -3.173 3.730 -1.205 1.00 0.00 C ATOM 414 O ASP A 33 -2.728 3.689 -0.056 1.00 0.00 O ATOM 415 CB ASP A 33 -2.642 6.132 -1.603 1.00 0.00 C ATOM 416 CG ASP A 33 -2.123 6.678 -2.914 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.840 7.484 -3.552 1.00 0.00 O ATOM 418 OD2 ASP A 33 -0.995 6.321 -3.307 1.00 0.00 O ATOM 0 H ASP A 33 -4.819 5.999 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.868 4.902 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.079 6.945 -1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.807 5.739 -1.022 1.00 0.00 H new ATOM 423 N VAL A 34 -3.273 2.664 -1.981 1.00 0.00 N ATOM 424 CA VAL A 34 -2.821 1.360 -1.535 1.00 0.00 C ATOM 425 C VAL A 34 -1.770 0.795 -2.486 1.00 0.00 C ATOM 426 O VAL A 34 -2.039 0.592 -3.673 1.00 0.00 O ATOM 427 CB VAL A 34 -3.993 0.359 -1.423 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.563 -0.884 -0.665 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.203 0.998 -0.756 1.00 0.00 C ATOM 0 H VAL A 34 -3.664 2.677 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.382 1.497 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.281 0.069 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.402 -1.577 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.738 -1.364 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.240 -0.605 0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.011 0.269 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.933 1.329 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.533 1.854 -1.345 1.00 0.00 H new ATOM 439 N GLY A 35 -0.572 0.569 -1.968 1.00 0.00 N ATOM 440 CA GLY A 35 0.494 0.016 -2.774 1.00 0.00 C ATOM 441 C GLY A 35 1.489 -0.749 -1.928 1.00 0.00 C ATOM 442 O GLY A 35 1.395 -0.743 -0.699 1.00 0.00 O ATOM 0 H GLY A 35 -0.319 0.760 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.073 -0.646 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.006 0.820 -3.303 1.00 0.00 H new ATOM 446 N GLN A 36 2.429 -1.426 -2.574 1.00 0.00 N ATOM 447 CA GLN A 36 3.450 -2.175 -1.856 1.00 0.00 C ATOM 448 C GLN A 36 4.600 -1.239 -1.513 1.00 0.00 C ATOM 449 O GLN A 36 5.126 -0.548 -2.385 1.00 0.00 O ATOM 450 CB GLN A 36 3.949 -3.352 -2.693 1.00 0.00 C ATOM 451 CG GLN A 36 4.383 -2.956 -4.095 1.00 0.00 C ATOM 452 CD GLN A 36 5.507 -3.819 -4.641 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.592 -4.047 -5.842 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.381 -4.295 -3.766 1.00 0.00 N ATOM 0 H GLN A 36 2.505 -1.472 -3.590 1.00 0.00 H new ATOM 0 HA GLN A 36 3.022 -2.579 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.788 -3.823 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.159 -4.099 -2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.526 -3.021 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.704 -1.914 -4.088 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.276 -4.083 -2.774 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.158 -4.873 -4.085 1.00 0.00 H new ATOM 463 N CYS A 37 4.985 -1.205 -0.251 1.00 0.00 N ATOM 464 CA CYS A 37 6.046 -0.315 0.183 1.00 0.00 C ATOM 465 C CYS A 37 7.105 -1.048 0.993 1.00 0.00 C ATOM 466 O CYS A 37 6.867 -2.133 1.532 1.00 0.00 O ATOM 467 CB CYS A 37 5.453 0.822 1.016 1.00 0.00 C ATOM 468 SG CYS A 37 3.731 1.239 0.586 1.00 0.00 S ATOM 0 H CYS A 37 4.581 -1.780 0.488 1.00 0.00 H new ATOM 0 HA CYS A 37 6.530 0.087 -0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.497 0.547 2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.073 1.710 0.892 1.00 0.00 H new ATOM 473 N ALA A 38 8.279 -0.446 1.062 1.00 0.00 N ATOM 474 CA ALA A 38 9.390 -1.004 1.810 1.00 0.00 C ATOM 475 C ALA A 38 10.159 0.113 2.493 1.00 0.00 C ATOM 476 O ALA A 38 9.858 1.292 2.288 1.00 0.00 O ATOM 477 CB ALA A 38 10.310 -1.801 0.900 1.00 0.00 C ATOM 0 H ALA A 38 8.488 0.440 0.603 1.00 0.00 H new ATOM 0 HA ALA A 38 8.996 -1.682 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.135 -2.209 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.751 -2.617 0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.705 -1.149 0.121 1.00 0.00 H new ATOM 483 N TRP A 39 11.137 -0.253 3.306 1.00 0.00 N ATOM 484 CA TRP A 39 11.951 0.731 3.999 1.00 0.00 C ATOM 485 C TRP A 39 12.921 1.386 3.022 1.00 0.00 C ATOM 486 O TRP A 39 13.915 0.781 2.616 1.00 0.00 O ATOM 487 CB TRP A 39 12.714 0.081 5.154 1.00 0.00 C ATOM 488 CG TRP A 39 11.826 -0.350 6.278 1.00 0.00 C ATOM 489 CD1 TRP A 39 11.476 -1.628 6.601 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.168 0.501 7.224 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.651 -1.625 7.697 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.440 -0.331 8.094 1.00 0.00 C ATOM 493 CE3 TRP A 39 11.124 1.883 7.419 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.681 0.175 9.144 1.00 0.00 C ATOM 495 CZ3 TRP A 39 10.366 2.384 8.460 1.00 0.00 C ATOM 496 CH2 TRP A 39 9.653 1.532 9.311 1.00 0.00 C ATOM 0 H TRP A 39 11.386 -1.223 3.502 1.00 0.00 H new ATOM 0 HA TRP A 39 11.296 1.498 4.412 1.00 0.00 H new ATOM 0 HB2 TRP A 39 13.260 -0.784 4.779 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.454 0.785 5.534 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.800 -2.512 6.072 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.258 -2.453 8.144 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.672 2.548 6.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.133 -0.481 9.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 10.323 3.451 8.620 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.069 1.954 10.115 1.00 0.00 H new ATOM 507 N VAL A 40 12.613 2.614 2.633 1.00 0.00 N ATOM 508 CA VAL A 40 13.445 3.349 1.696 1.00 0.00 C ATOM 509 C VAL A 40 14.538 4.108 2.438 1.00 0.00 C ATOM 510 O VAL A 40 15.551 4.492 1.850 1.00 0.00 O ATOM 511 CB VAL A 40 12.596 4.319 0.836 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.116 5.513 1.653 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.377 4.777 -0.391 1.00 0.00 C ATOM 0 H VAL A 40 11.789 3.123 2.954 1.00 0.00 H new ATOM 0 HA VAL A 40 13.914 2.630 1.025 1.00 0.00 H new ATOM 0 HB VAL A 40 11.713 3.777 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.524 6.173 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.504 5.163 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.977 6.058 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.762 5.457 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.285 5.291 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.643 3.911 -0.997 1.00 0.00 H new ATOM 523 N ASP A 41 14.338 4.303 3.735 1.00 0.00 N ATOM 524 CA ASP A 41 15.307 5.006 4.561 1.00 0.00 C ATOM 525 C ASP A 41 15.066 4.704 6.032 1.00 0.00 C ATOM 526 O ASP A 41 14.164 3.937 6.378 1.00 0.00 O ATOM 527 CB ASP A 41 15.224 6.513 4.325 1.00 0.00 C ATOM 528 CG ASP A 41 16.578 7.186 4.386 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.281 7.035 5.408 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.948 7.865 3.407 1.00 0.00 O ATOM 0 H ASP A 41 13.510 3.983 4.238 1.00 0.00 H new ATOM 0 HA ASP A 41 16.303 4.661 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.773 6.700 3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.567 6.959 5.072 1.00 0.00 H new ATOM 535 N THR A 42 15.861 5.325 6.889 1.00 0.00 N ATOM 536 CA THR A 42 15.753 5.137 8.325 1.00 0.00 C ATOM 537 C THR A 42 14.428 5.687 8.845 1.00 0.00 C ATOM 538 O THR A 42 14.270 6.897 9.012 1.00 0.00 O ATOM 539 CB THR A 42 16.916 5.836 9.049 1.00 0.00 C ATOM 540 OG1 THR A 42 18.105 5.751 8.245 1.00 0.00 O ATOM 541 CG2 THR A 42 17.171 5.205 10.411 1.00 0.00 C ATOM 0 H THR A 42 16.598 5.972 6.608 1.00 0.00 H new ATOM 0 HA THR A 42 15.796 4.067 8.526 1.00 0.00 H new ATOM 0 HB THR A 42 16.648 6.881 9.202 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.845 6.198 8.707 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.998 5.719 10.901 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.275 5.292 11.026 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.422 4.152 10.283 1.00 0.00 H new ATOM 549 N GLY A 43 13.471 4.800 9.068 1.00 0.00 N ATOM 550 CA GLY A 43 12.173 5.218 9.562 1.00 0.00 C ATOM 551 C GLY A 43 11.310 5.823 8.468 1.00 0.00 C ATOM 552 O GLY A 43 10.270 6.423 8.744 1.00 0.00 O ATOM 0 H GLY A 43 13.569 3.796 8.916 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.658 4.361 9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.308 5.947 10.361 1.00 0.00 H new ATOM 556 N VAL A 44 11.739 5.660 7.222 1.00 0.00 N ATOM 557 CA VAL A 44 11.008 6.199 6.087 1.00 0.00 C ATOM 558 C VAL A 44 10.597 5.083 5.137 1.00 0.00 C ATOM 559 O VAL A 44 11.419 4.256 4.736 1.00 0.00 O ATOM 560 CB VAL A 44 11.840 7.242 5.310 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.972 7.986 4.306 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.520 8.220 6.262 1.00 0.00 C ATOM 0 H VAL A 44 12.591 5.158 6.974 1.00 0.00 H new ATOM 0 HA VAL A 44 10.121 6.691 6.485 1.00 0.00 H new ATOM 0 HB VAL A 44 12.617 6.709 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.579 8.716 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.547 7.276 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.167 8.500 4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.099 8.943 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.764 8.743 6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.184 7.674 6.932 1.00 0.00 H new ATOM 572 N LEU A 45 9.323 5.061 4.785 1.00 0.00 N ATOM 573 CA LEU A 45 8.795 4.053 3.883 1.00 0.00 C ATOM 574 C LEU A 45 8.424 4.684 2.550 1.00 0.00 C ATOM 575 O LEU A 45 8.242 5.897 2.464 1.00 0.00 O ATOM 576 CB LEU A 45 7.567 3.385 4.503 1.00 0.00 C ATOM 577 CG LEU A 45 7.822 2.652 5.819 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.765 3.014 6.850 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.853 1.151 5.590 1.00 0.00 C ATOM 0 H LEU A 45 8.631 5.735 5.113 1.00 0.00 H new ATOM 0 HA LEU A 45 9.563 3.298 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.805 4.146 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.157 2.676 3.784 1.00 0.00 H new ATOM 0 HG LEU A 45 8.793 2.964 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.966 2.481 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.790 4.088 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.781 2.733 6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.036 0.642 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.896 0.825 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.649 0.907 4.887 1.00 0.00 H new ATOM 591 N ALA A 46 8.328 3.862 1.514 1.00 0.00 N ATOM 592 CA ALA A 46 7.973 4.346 0.187 1.00 0.00 C ATOM 593 C ALA A 46 7.449 3.209 -0.685 1.00 0.00 C ATOM 594 O ALA A 46 7.911 2.070 -0.576 1.00 0.00 O ATOM 595 CB ALA A 46 9.170 5.016 -0.462 1.00 0.00 C ATOM 0 H ALA A 46 8.491 2.857 1.567 1.00 0.00 H new ATOM 0 HA ALA A 46 7.176 5.082 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.893 5.374 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.492 5.858 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.985 4.298 -0.550 1.00 0.00 H new ATOM 601 N CYS A 47 6.480 3.524 -1.541 1.00 0.00 N ATOM 602 CA CYS A 47 5.875 2.531 -2.427 1.00 0.00 C ATOM 603 C CYS A 47 6.091 2.905 -3.889 1.00 0.00 C ATOM 604 O CYS A 47 6.561 4.002 -4.189 1.00 0.00 O ATOM 605 CB CYS A 47 4.376 2.422 -2.145 1.00 0.00 C ATOM 606 SG CYS A 47 3.890 2.960 -0.475 1.00 0.00 S ATOM 0 H CYS A 47 6.095 4.463 -1.640 1.00 0.00 H new ATOM 0 HA CYS A 47 6.353 1.570 -2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.835 3.020 -2.879 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.065 1.387 -2.286 1.00 0.00 H new ATOM 611 N ASN A 48 5.747 1.995 -4.798 1.00 0.00 N ATOM 612 CA ASN A 48 5.900 2.252 -6.227 1.00 0.00 C ATOM 613 C ASN A 48 4.550 2.566 -6.871 1.00 0.00 C ATOM 614 O ASN A 48 3.638 1.740 -6.877 1.00 0.00 O ATOM 615 CB ASN A 48 6.572 1.073 -6.951 1.00 0.00 C ATOM 616 CG ASN A 48 5.810 -0.241 -6.832 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.120 -0.491 -5.846 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.941 -1.095 -7.838 1.00 0.00 N ATOM 0 H ASN A 48 5.362 1.078 -4.571 1.00 0.00 H new ATOM 0 HA ASN A 48 6.550 3.121 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.683 1.323 -8.006 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.576 0.937 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.460 -1.994 -7.810 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.522 -0.853 -8.640 1.00 0.00 H new ATOM 625 N PRO A 49 4.414 3.777 -7.430 1.00 0.00 N ATOM 626 CA PRO A 49 3.176 4.221 -8.080 1.00 0.00 C ATOM 627 C PRO A 49 2.896 3.477 -9.385 1.00 0.00 C ATOM 628 O PRO A 49 1.806 3.573 -9.947 1.00 0.00 O ATOM 629 CB PRO A 49 3.435 5.704 -8.360 1.00 0.00 C ATOM 630 CG PRO A 49 4.916 5.825 -8.431 1.00 0.00 C ATOM 631 CD PRO A 49 5.456 4.820 -7.460 1.00 0.00 C ATOM 0 HA PRO A 49 2.303 4.033 -7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.967 6.018 -9.293 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.024 6.333 -7.570 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.276 5.626 -9.440 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.239 6.833 -8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.415 4.420 -7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.614 5.258 -6.475 1.00 0.00 H new ATOM 639 N ALA A 50 3.886 2.738 -9.862 1.00 0.00 N ATOM 640 CA ALA A 50 3.748 1.984 -11.100 1.00 0.00 C ATOM 641 C ALA A 50 2.802 0.797 -10.928 1.00 0.00 C ATOM 642 O ALA A 50 2.059 0.449 -11.845 1.00 0.00 O ATOM 643 CB ALA A 50 5.110 1.507 -11.585 1.00 0.00 C ATOM 0 H ALA A 50 4.796 2.644 -9.410 1.00 0.00 H new ATOM 0 HA ALA A 50 3.318 2.649 -11.849 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.990 0.945 -12.511 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.755 2.368 -11.764 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.562 0.866 -10.828 1.00 0.00 H new ATOM 649 N ASP A 51 2.816 0.192 -9.745 1.00 0.00 N ATOM 650 CA ASP A 51 1.968 -0.968 -9.475 1.00 0.00 C ATOM 651 C ASP A 51 0.932 -0.663 -8.402 1.00 0.00 C ATOM 652 O ASP A 51 0.386 -1.574 -7.781 1.00 0.00 O ATOM 653 CB ASP A 51 2.822 -2.167 -9.055 1.00 0.00 C ATOM 654 CG ASP A 51 3.223 -3.037 -10.233 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.336 -3.664 -10.852 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.428 -3.106 -10.548 1.00 0.00 O ATOM 0 H ASP A 51 3.401 0.482 -8.961 1.00 0.00 H new ATOM 0 HA ASP A 51 1.438 -1.212 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.719 -1.810 -8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.268 -2.769 -8.335 1.00 0.00 H new ATOM 661 N PHE A 52 0.648 0.615 -8.194 1.00 0.00 N ATOM 662 CA PHE A 52 -0.332 1.017 -7.193 1.00 0.00 C ATOM 663 C PHE A 52 -1.700 1.214 -7.846 1.00 0.00 C ATOM 664 O PHE A 52 -1.793 1.454 -9.051 1.00 0.00 O ATOM 665 CB PHE A 52 0.125 2.297 -6.467 1.00 0.00 C ATOM 666 CG PHE A 52 -0.681 3.536 -6.784 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.441 4.261 -7.940 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.674 3.976 -5.919 1.00 0.00 C ATOM 669 CE1 PHE A 52 -1.171 5.396 -8.231 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.408 5.113 -6.207 1.00 0.00 C ATOM 671 CZ PHE A 52 -2.155 5.823 -7.365 1.00 0.00 C ATOM 0 H PHE A 52 1.079 1.388 -8.701 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.418 0.225 -6.449 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.084 2.121 -5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.168 2.487 -6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.328 3.933 -8.623 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.876 3.425 -5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.971 5.949 -9.137 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.178 5.445 -5.527 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.727 6.711 -7.591 1.00 0.00 H new ATOM 681 N SER A 53 -2.753 1.111 -7.051 1.00 0.00 N ATOM 682 CA SER A 53 -4.105 1.280 -7.558 1.00 0.00 C ATOM 683 C SER A 53 -4.881 2.275 -6.701 1.00 0.00 C ATOM 684 O SER A 53 -4.940 2.147 -5.476 1.00 0.00 O ATOM 685 CB SER A 53 -4.826 -0.067 -7.592 1.00 0.00 C ATOM 686 OG SER A 53 -4.129 -0.996 -8.407 1.00 0.00 O ATOM 0 H SER A 53 -2.697 0.911 -6.052 1.00 0.00 H new ATOM 0 HA SER A 53 -4.047 1.674 -8.572 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.916 -0.461 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.839 0.068 -7.972 1.00 0.00 H new ATOM 0 HG SER A 53 -4.608 -1.851 -8.412 1.00 0.00 H new ATOM 692 N SER A 54 -5.462 3.274 -7.348 1.00 0.00 N ATOM 693 CA SER A 54 -6.230 4.290 -6.652 1.00 0.00 C ATOM 694 C SER A 54 -7.687 3.861 -6.511 1.00 0.00 C ATOM 695 O SER A 54 -8.493 4.050 -7.426 1.00 0.00 O ATOM 696 CB SER A 54 -6.136 5.618 -7.402 1.00 0.00 C ATOM 697 OG SER A 54 -5.563 5.435 -8.691 1.00 0.00 O ATOM 0 H SER A 54 -5.415 3.401 -8.359 1.00 0.00 H new ATOM 0 HA SER A 54 -5.815 4.418 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.129 6.056 -7.500 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.533 6.322 -6.828 1.00 0.00 H new ATOM 0 HG SER A 54 -5.514 6.298 -9.153 1.00 0.00 H new ATOM 703 N VAL A 55 -8.008 3.263 -5.375 1.00 0.00 N ATOM 704 CA VAL A 55 -9.365 2.813 -5.105 1.00 0.00 C ATOM 705 C VAL A 55 -10.107 3.868 -4.287 1.00 0.00 C ATOM 706 O VAL A 55 -9.522 4.510 -3.419 1.00 0.00 O ATOM 707 CB VAL A 55 -9.366 1.453 -4.359 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.614 1.547 -3.040 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.785 0.950 -4.137 1.00 0.00 C ATOM 0 H VAL A 55 -7.345 3.077 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.876 2.672 -6.057 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.847 0.732 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.632 0.578 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.581 1.838 -3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.089 2.293 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.755 -0.005 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.339 1.675 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.279 0.819 -5.100 1.00 0.00 H new ATOM 719 N THR A 56 -11.379 4.069 -4.578 1.00 0.00 N ATOM 720 CA THR A 56 -12.165 5.051 -3.857 1.00 0.00 C ATOM 721 C THR A 56 -13.282 4.359 -3.078 1.00 0.00 C ATOM 722 O THR A 56 -13.776 3.305 -3.485 1.00 0.00 O ATOM 723 CB THR A 56 -12.747 6.125 -4.814 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.340 7.198 -4.068 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.780 5.526 -5.759 1.00 0.00 C ATOM 0 H THR A 56 -11.888 3.567 -5.306 1.00 0.00 H new ATOM 0 HA THR A 56 -11.508 5.562 -3.153 1.00 0.00 H new ATOM 0 HB THR A 56 -11.921 6.514 -5.409 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.009 7.177 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.168 6.305 -6.415 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.314 4.744 -6.359 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.599 5.099 -5.180 1.00 0.00 H new ATOM 733 N ALA A 57 -13.646 4.928 -1.939 1.00 0.00 N ATOM 734 CA ALA A 57 -14.700 4.364 -1.116 1.00 0.00 C ATOM 735 C ALA A 57 -16.057 4.608 -1.760 1.00 0.00 C ATOM 736 O ALA A 57 -16.394 5.743 -2.107 1.00 0.00 O ATOM 737 CB ALA A 57 -14.647 4.946 0.288 1.00 0.00 C ATOM 0 H ALA A 57 -13.226 5.779 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.549 3.287 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.444 4.512 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.683 4.716 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.776 6.027 0.239 1.00 0.00 H new ATOM 743 N ASP A 58 -16.822 3.541 -1.928 1.00 0.00 N ATOM 744 CA ASP A 58 -18.141 3.627 -2.545 1.00 0.00 C ATOM 745 C ASP A 58 -19.167 4.212 -1.582 1.00 0.00 C ATOM 746 O ASP A 58 -18.828 4.625 -0.471 1.00 0.00 O ATOM 747 CB ASP A 58 -18.611 2.253 -3.047 1.00 0.00 C ATOM 748 CG ASP A 58 -18.465 1.150 -2.014 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.790 1.379 -0.832 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.026 0.043 -2.388 1.00 0.00 O ATOM 0 H ASP A 58 -16.552 2.599 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.053 4.296 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.656 2.323 -3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.041 1.985 -3.936 1.00 0.00 H new ATOM 755 N ALA A 59 -20.423 4.229 -2.015 1.00 0.00 N ATOM 756 CA ALA A 59 -21.516 4.770 -1.212 1.00 0.00 C ATOM 757 C ALA A 59 -21.731 3.970 0.070 1.00 0.00 C ATOM 758 O ALA A 59 -22.338 4.462 1.021 1.00 0.00 O ATOM 759 CB ALA A 59 -22.794 4.803 -2.034 1.00 0.00 C ATOM 0 H ALA A 59 -20.712 3.871 -2.925 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.245 5.785 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.605 5.208 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.646 5.433 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.048 3.792 -2.352 1.00 0.00 H new ATOM 765 N ASN A 60 -21.218 2.743 0.099 1.00 0.00 N ATOM 766 CA ASN A 60 -21.358 1.881 1.269 1.00 0.00 C ATOM 767 C ASN A 60 -20.192 2.098 2.222 1.00 0.00 C ATOM 768 O ASN A 60 -20.114 1.473 3.279 1.00 0.00 O ATOM 769 CB ASN A 60 -21.420 0.400 0.863 1.00 0.00 C ATOM 770 CG ASN A 60 -22.517 0.100 -0.139 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.505 0.825 -0.239 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.355 -0.980 -0.891 1.00 0.00 N ATOM 0 H ASN A 60 -20.702 2.323 -0.674 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.291 2.143 1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.460 0.106 0.439 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.575 -0.208 1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.063 -1.233 -1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.522 -1.558 -0.780 1.00 0.00 H new ATOM 779 N GLY A 61 -19.287 2.991 1.841 1.00 0.00 N ATOM 780 CA GLY A 61 -18.129 3.270 2.664 1.00 0.00 C ATOM 781 C GLY A 61 -17.124 2.143 2.611 1.00 0.00 C ATOM 782 O GLY A 61 -16.428 1.870 3.588 1.00 0.00 O ATOM 0 H GLY A 61 -19.336 3.527 0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.658 4.194 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.445 3.429 3.695 1.00 0.00 H new ATOM 786 N SER A 62 -17.056 1.479 1.472 1.00 0.00 N ATOM 787 CA SER A 62 -16.139 0.370 1.298 1.00 0.00 C ATOM 788 C SER A 62 -15.173 0.623 0.143 1.00 0.00 C ATOM 789 O SER A 62 -15.510 1.305 -0.827 1.00 0.00 O ATOM 790 CB SER A 62 -16.932 -0.909 1.047 1.00 0.00 C ATOM 791 OG SER A 62 -18.326 -0.637 0.971 1.00 0.00 O ATOM 0 H SER A 62 -17.626 1.689 0.653 1.00 0.00 H new ATOM 0 HA SER A 62 -15.548 0.265 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.597 -1.373 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.740 -1.623 1.848 1.00 0.00 H new ATOM 0 HG SER A 62 -18.501 -0.034 0.219 1.00 0.00 H new ATOM 797 N ALA A 63 -13.969 0.083 0.265 1.00 0.00 N ATOM 798 CA ALA A 63 -12.946 0.224 -0.758 1.00 0.00 C ATOM 799 C ALA A 63 -12.124 -1.055 -0.857 1.00 0.00 C ATOM 800 O ALA A 63 -11.222 -1.289 -0.053 1.00 0.00 O ATOM 801 CB ALA A 63 -12.048 1.418 -0.456 1.00 0.00 C ATOM 0 H ALA A 63 -13.675 -0.464 1.074 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.433 0.399 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.288 1.508 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.648 2.327 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.564 1.274 0.510 1.00 0.00 H new ATOM 807 N SER A 64 -12.470 -1.898 -1.814 1.00 0.00 N ATOM 808 CA SER A 64 -11.764 -3.147 -2.021 1.00 0.00 C ATOM 809 C SER A 64 -10.923 -3.062 -3.284 1.00 0.00 C ATOM 810 O SER A 64 -11.398 -2.614 -4.329 1.00 0.00 O ATOM 811 CB SER A 64 -12.758 -4.307 -2.118 1.00 0.00 C ATOM 812 OG SER A 64 -12.163 -5.529 -1.716 1.00 0.00 O ATOM 0 H SER A 64 -13.241 -1.737 -2.463 1.00 0.00 H new ATOM 0 HA SER A 64 -11.105 -3.328 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.625 -4.099 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.119 -4.395 -3.143 1.00 0.00 H new ATOM 0 HG SER A 64 -12.821 -6.252 -1.786 1.00 0.00 H new ATOM 818 N THR A 65 -9.674 -3.481 -3.183 1.00 0.00 N ATOM 819 CA THR A 65 -8.767 -3.445 -4.314 1.00 0.00 C ATOM 820 C THR A 65 -7.714 -4.551 -4.207 1.00 0.00 C ATOM 821 O THR A 65 -7.515 -5.136 -3.140 1.00 0.00 O ATOM 822 CB THR A 65 -8.078 -2.063 -4.422 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.364 -1.954 -5.661 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.122 -1.830 -3.256 1.00 0.00 C ATOM 0 H THR A 65 -9.265 -3.851 -2.325 1.00 0.00 H new ATOM 0 HA THR A 65 -9.354 -3.613 -5.217 1.00 0.00 H new ATOM 0 HB THR A 65 -8.857 -1.301 -4.388 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.935 -1.074 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.653 -0.851 -3.360 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.676 -1.870 -2.318 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.353 -2.602 -3.256 1.00 0.00 H new ATOM 832 N SER A 66 -7.059 -4.843 -5.323 1.00 0.00 N ATOM 833 CA SER A 66 -6.033 -5.869 -5.372 1.00 0.00 C ATOM 834 C SER A 66 -4.723 -5.286 -5.905 1.00 0.00 C ATOM 835 O SER A 66 -4.709 -4.649 -6.959 1.00 0.00 O ATOM 836 CB SER A 66 -6.502 -7.011 -6.264 1.00 0.00 C ATOM 837 OG SER A 66 -7.885 -7.268 -6.074 1.00 0.00 O ATOM 0 H SER A 66 -7.225 -4.376 -6.215 1.00 0.00 H new ATOM 0 HA SER A 66 -5.856 -6.247 -4.365 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.315 -6.762 -7.309 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.927 -7.910 -6.042 1.00 0.00 H new ATOM 0 HG SER A 66 -8.164 -8.004 -6.658 1.00 0.00 H new ATOM 843 N LEU A 67 -3.632 -5.506 -5.178 1.00 0.00 N ATOM 844 CA LEU A 67 -2.322 -4.982 -5.570 1.00 0.00 C ATOM 845 C LEU A 67 -1.356 -6.113 -5.904 1.00 0.00 C ATOM 846 O LEU A 67 -1.501 -7.223 -5.407 1.00 0.00 O ATOM 847 CB LEU A 67 -1.720 -4.124 -4.444 1.00 0.00 C ATOM 848 CG LEU A 67 -2.255 -2.691 -4.321 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.223 -1.989 -5.667 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.664 -2.691 -3.748 1.00 0.00 C ATOM 0 H LEU A 67 -3.626 -6.045 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.470 -4.366 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.890 -4.635 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.641 -4.075 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.608 -2.143 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.606 -0.975 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.197 -1.952 -6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.842 -2.536 -6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.025 -1.665 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.324 -3.258 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.655 -3.149 -2.759 1.00 0.00 H new ATOM 862 N THR A 68 -0.365 -5.822 -6.728 1.00 0.00 N ATOM 863 CA THR A 68 0.624 -6.821 -7.104 1.00 0.00 C ATOM 864 C THR A 68 1.966 -6.488 -6.461 1.00 0.00 C ATOM 865 O THR A 68 2.511 -5.407 -6.679 1.00 0.00 O ATOM 866 CB THR A 68 0.789 -6.906 -8.633 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.500 -6.859 -9.265 1.00 0.00 O ATOM 868 CG2 THR A 68 1.502 -8.191 -9.024 1.00 0.00 C ATOM 0 H THR A 68 -0.222 -4.904 -7.150 1.00 0.00 H new ATOM 0 HA THR A 68 0.273 -7.790 -6.748 1.00 0.00 H new ATOM 0 HB THR A 68 1.389 -6.058 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.390 -6.912 -10.237 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.609 -8.232 -10.108 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.488 -8.215 -8.561 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.920 -9.048 -8.684 1.00 0.00 H new ATOM 876 N VAL A 69 2.489 -7.406 -5.659 1.00 0.00 N ATOM 877 CA VAL A 69 3.760 -7.176 -4.979 1.00 0.00 C ATOM 878 C VAL A 69 4.955 -7.678 -5.797 1.00 0.00 C ATOM 879 O VAL A 69 5.031 -8.849 -6.173 1.00 0.00 O ATOM 880 CB VAL A 69 3.769 -7.810 -3.563 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.536 -9.315 -3.614 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.065 -7.496 -2.828 1.00 0.00 C ATOM 0 H VAL A 69 2.059 -8.310 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 69 3.863 -6.096 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 69 2.942 -7.365 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.550 -9.720 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.568 -9.518 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.323 -9.785 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.042 -7.953 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.909 -7.893 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.173 -6.416 -2.726 1.00 0.00 H new ATOM 892 N ARG A 70 5.874 -6.767 -6.087 1.00 0.00 N ATOM 893 CA ARG A 70 7.078 -7.088 -6.838 1.00 0.00 C ATOM 894 C ARG A 70 8.244 -7.274 -5.874 1.00 0.00 C ATOM 895 O ARG A 70 8.185 -6.824 -4.730 1.00 0.00 O ATOM 896 CB ARG A 70 7.411 -5.971 -7.840 1.00 0.00 C ATOM 897 CG ARG A 70 6.217 -5.473 -8.641 1.00 0.00 C ATOM 898 CD ARG A 70 5.752 -6.499 -9.663 1.00 0.00 C ATOM 899 NE ARG A 70 4.651 -5.989 -10.480 1.00 0.00 N ATOM 900 CZ ARG A 70 3.941 -6.736 -11.322 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.236 -8.020 -11.494 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.932 -6.197 -11.992 1.00 0.00 N ATOM 0 H ARG A 70 5.806 -5.788 -5.809 1.00 0.00 H new ATOM 0 HA ARG A 70 6.906 -8.010 -7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.846 -5.131 -7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.172 -6.334 -8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.397 -5.239 -7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.483 -4.547 -9.151 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.587 -6.774 -10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.434 -7.406 -9.149 1.00 0.00 H new ATOM 0 HE ARG A 70 4.413 -5.000 -10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.011 -8.439 -10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.688 -8.587 -12.141 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.701 -5.212 -11.862 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.386 -6.767 -12.638 1.00 0.00 H new ATOM 916 N ARG A 71 9.299 -7.930 -6.338 1.00 0.00 N ATOM 917 CA ARG A 71 10.471 -8.168 -5.506 1.00 0.00 C ATOM 918 C ARG A 71 11.311 -6.895 -5.389 1.00 0.00 C ATOM 919 O ARG A 71 11.825 -6.574 -4.318 1.00 0.00 O ATOM 920 CB ARG A 71 11.312 -9.312 -6.079 1.00 0.00 C ATOM 921 CG ARG A 71 12.341 -9.866 -5.105 1.00 0.00 C ATOM 922 CD ARG A 71 11.692 -10.651 -3.977 1.00 0.00 C ATOM 923 NE ARG A 71 11.137 -11.920 -4.440 1.00 0.00 N ATOM 924 CZ ARG A 71 11.039 -13.012 -3.677 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.474 -12.999 -2.420 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.506 -14.119 -4.177 1.00 0.00 N ATOM 0 H ARG A 71 9.368 -8.306 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 71 10.134 -8.453 -4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.648 -10.119 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.825 -8.960 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.038 -10.510 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.923 -9.045 -4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.429 -10.841 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.900 -10.052 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 71 10.805 -11.976 -5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.886 -12.151 -2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.395 -13.837 -1.844 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.173 -14.134 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.429 -14.955 -3.598 1.00 0.00 H new ATOM 940 N SER A 72 11.440 -6.173 -6.494 1.00 0.00 N ATOM 941 CA SER A 72 12.206 -4.932 -6.519 1.00 0.00 C ATOM 942 C SER A 72 11.345 -3.812 -7.092 1.00 0.00 C ATOM 943 O SER A 72 10.578 -4.040 -8.028 1.00 0.00 O ATOM 944 CB SER A 72 13.475 -5.115 -7.362 1.00 0.00 C ATOM 945 OG SER A 72 14.143 -6.326 -7.026 1.00 0.00 O ATOM 0 H SER A 72 11.022 -6.426 -7.389 1.00 0.00 H new ATOM 0 HA SER A 72 12.500 -4.669 -5.503 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.214 -5.121 -8.420 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.145 -4.270 -7.204 1.00 0.00 H new ATOM 0 HG SER A 72 14.589 -6.224 -6.159 1.00 0.00 H new ATOM 951 N PHE A 73 11.447 -2.614 -6.528 1.00 0.00 N ATOM 952 CA PHE A 73 10.646 -1.494 -7.004 1.00 0.00 C ATOM 953 C PHE A 73 11.234 -0.156 -6.567 1.00 0.00 C ATOM 954 O PHE A 73 12.268 -0.106 -5.900 1.00 0.00 O ATOM 955 CB PHE A 73 9.187 -1.627 -6.532 1.00 0.00 C ATOM 956 CG PHE A 73 9.005 -1.741 -5.039 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.406 -2.879 -4.355 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.412 -0.712 -4.322 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.221 -2.987 -2.990 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.227 -0.815 -2.959 1.00 0.00 C ATOM 961 CZ PHE A 73 8.631 -1.951 -2.293 1.00 0.00 C ATOM 0 H PHE A 73 12.069 -2.395 -5.750 1.00 0.00 H new ATOM 0 HA PHE A 73 10.661 -1.520 -8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.627 -0.761 -6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.747 -2.506 -7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.869 -3.691 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.091 0.181 -4.838 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.537 -3.879 -2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.765 -0.005 -2.414 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.486 -2.032 -1.226 1.00 0.00 H new ATOM 971 N GLU A 74 10.580 0.923 -6.967 1.00 0.00 N ATOM 972 CA GLU A 74 11.028 2.263 -6.631 1.00 0.00 C ATOM 973 C GLU A 74 10.286 2.772 -5.404 1.00 0.00 C ATOM 974 O GLU A 74 9.211 2.272 -5.076 1.00 0.00 O ATOM 975 CB GLU A 74 10.808 3.214 -7.812 1.00 0.00 C ATOM 976 CG GLU A 74 11.398 2.713 -9.125 1.00 0.00 C ATOM 977 CD GLU A 74 10.410 1.898 -9.941 1.00 0.00 C ATOM 978 OE1 GLU A 74 10.324 0.669 -9.739 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.708 2.484 -10.790 1.00 0.00 O ATOM 0 H GLU A 74 9.730 0.894 -7.530 1.00 0.00 H new ATOM 0 HA GLU A 74 12.094 2.226 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.738 3.374 -7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.248 4.182 -7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.734 3.565 -9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.277 2.104 -8.914 1.00 0.00 H new ATOM 986 N GLY A 75 10.855 3.764 -4.736 1.00 0.00 N ATOM 987 CA GLY A 75 10.236 4.309 -3.551 1.00 0.00 C ATOM 988 C GLY A 75 9.747 5.730 -3.743 1.00 0.00 C ATOM 989 O GLY A 75 10.543 6.640 -3.995 1.00 0.00 O ATOM 0 H GLY A 75 11.739 4.202 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.396 3.677 -3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.951 4.284 -2.729 1.00 0.00 H new ATOM 993 N PHE A 76 8.441 5.922 -3.605 1.00 0.00 N ATOM 994 CA PHE A 76 7.828 7.233 -3.765 1.00 0.00 C ATOM 995 C PHE A 76 6.942 7.542 -2.569 1.00 0.00 C ATOM 996 O PHE A 76 6.505 6.634 -1.860 1.00 0.00 O ATOM 997 CB PHE A 76 6.983 7.288 -5.040 1.00 0.00 C ATOM 998 CG PHE A 76 7.765 7.507 -6.305 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.582 6.514 -6.818 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.666 8.705 -6.990 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.290 6.713 -7.986 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.371 8.910 -8.159 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.184 7.913 -8.659 1.00 0.00 C ATOM 0 H PHE A 76 7.781 5.178 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 76 8.626 7.972 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.426 6.355 -5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.250 8.089 -4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.666 5.571 -6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.030 9.489 -6.606 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.926 5.931 -8.373 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.286 9.851 -8.683 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.735 8.072 -9.574 1.00 0.00 H new ATOM 1013 N LEU A 77 6.688 8.822 -2.349 1.00 0.00 N ATOM 1014 CA LEU A 77 5.842 9.254 -1.250 1.00 0.00 C ATOM 1015 C LEU A 77 4.405 9.395 -1.748 1.00 0.00 C ATOM 1016 O LEU A 77 4.128 9.132 -2.918 1.00 0.00 O ATOM 1017 CB LEU A 77 6.353 10.579 -0.671 1.00 0.00 C ATOM 1018 CG LEU A 77 7.872 10.672 -0.478 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.243 11.997 0.167 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.389 9.507 0.352 1.00 0.00 C ATOM 0 H LEU A 77 7.058 9.582 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 77 5.871 8.510 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.037 11.389 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.871 10.745 0.292 1.00 0.00 H new ATOM 0 HG LEU A 77 8.344 10.619 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.324 12.048 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.915 12.817 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.756 12.078 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.468 9.598 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.911 9.518 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.158 8.569 -0.154 1.00 0.00 H new ATOM 1032 N PHE A 78 3.496 9.819 -0.881 1.00 0.00 N ATOM 1033 CA PHE A 78 2.096 9.969 -1.272 1.00 0.00 C ATOM 1034 C PHE A 78 1.833 11.360 -1.845 1.00 0.00 C ATOM 1035 O PHE A 78 0.685 11.732 -2.102 1.00 0.00 O ATOM 1036 CB PHE A 78 1.162 9.705 -0.088 1.00 0.00 C ATOM 1037 CG PHE A 78 1.138 8.269 0.366 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.973 7.238 -0.549 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.274 7.950 1.709 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.944 5.921 -0.132 1.00 0.00 C ATOM 1041 CE2 PHE A 78 1.246 6.633 2.130 1.00 0.00 C ATOM 1042 CZ PHE A 78 1.082 5.617 1.206 1.00 0.00 C ATOM 0 H PHE A 78 3.697 10.064 0.089 1.00 0.00 H new ATOM 0 HA PHE A 78 1.892 9.230 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.466 10.335 0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.151 10.005 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.866 7.468 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.403 8.739 2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.813 5.129 -0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.352 6.398 3.179 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.062 4.587 1.532 1.00 0.00 H new ATOM 1052 N ASP A 79 2.896 12.126 -2.034 1.00 0.00 N ATOM 1053 CA ASP A 79 2.783 13.472 -2.583 1.00 0.00 C ATOM 1054 C ASP A 79 3.273 13.510 -4.032 1.00 0.00 C ATOM 1055 O ASP A 79 2.921 14.411 -4.801 1.00 0.00 O ATOM 1056 CB ASP A 79 3.584 14.464 -1.734 1.00 0.00 C ATOM 1057 CG ASP A 79 5.061 14.465 -2.074 1.00 0.00 C ATOM 1058 OD1 ASP A 79 5.663 13.376 -2.156 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.624 15.560 -2.276 1.00 0.00 O ATOM 0 H ASP A 79 3.850 11.839 -1.815 1.00 0.00 H new ATOM 0 HA ASP A 79 1.731 13.758 -2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.182 15.467 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.458 14.218 -0.680 1.00 0.00 H new ATOM 1064 N GLY A 80 4.086 12.529 -4.400 1.00 0.00 N ATOM 1065 CA GLY A 80 4.613 12.467 -5.749 1.00 0.00 C ATOM 1066 C GLY A 80 6.121 12.584 -5.788 1.00 0.00 C ATOM 1067 O GLY A 80 6.731 12.489 -6.854 1.00 0.00 O ATOM 0 H GLY A 80 4.391 11.773 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.313 11.526 -6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.174 13.268 -6.344 1.00 0.00 H new ATOM 1071 N THR A 81 6.725 12.802 -4.633 1.00 0.00 N ATOM 1072 CA THR A 81 8.169 12.929 -4.535 1.00 0.00 C ATOM 1073 C THR A 81 8.821 11.550 -4.413 1.00 0.00 C ATOM 1074 O THR A 81 8.281 10.656 -3.761 1.00 0.00 O ATOM 1075 CB THR A 81 8.565 13.805 -3.320 1.00 0.00 C ATOM 1076 OG1 THR A 81 7.943 15.095 -3.422 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.077 13.982 -3.226 1.00 0.00 C ATOM 0 H THR A 81 6.234 12.895 -3.744 1.00 0.00 H new ATOM 0 HA THR A 81 8.526 13.412 -5.445 1.00 0.00 H new ATOM 0 HB THR A 81 8.222 13.295 -2.420 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.270 15.190 -2.716 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.318 14.602 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.551 13.007 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.444 14.464 -4.132 1.00 0.00 H new ATOM 1085 N ARG A 82 9.966 11.374 -5.056 1.00 0.00 N ATOM 1086 CA ARG A 82 10.680 10.108 -5.002 1.00 0.00 C ATOM 1087 C ARG A 82 11.801 10.186 -3.981 1.00 0.00 C ATOM 1088 O ARG A 82 12.444 11.226 -3.832 1.00 0.00 O ATOM 1089 CB ARG A 82 11.239 9.735 -6.374 1.00 0.00 C ATOM 1090 CG ARG A 82 12.188 10.770 -6.962 1.00 0.00 C ATOM 1091 CD ARG A 82 11.738 11.210 -8.348 1.00 0.00 C ATOM 1092 NE ARG A 82 11.960 10.171 -9.354 1.00 0.00 N ATOM 1093 CZ ARG A 82 11.331 10.121 -10.527 1.00 0.00 C ATOM 1094 NH1 ARG A 82 10.393 11.018 -10.828 1.00 0.00 N ATOM 1095 NH2 ARG A 82 11.636 9.168 -11.394 1.00 0.00 N ATOM 0 H ARG A 82 10.420 12.092 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 82 9.977 9.331 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.762 8.782 -6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.409 9.586 -7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.239 11.636 -6.302 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.194 10.353 -7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.679 11.467 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.278 12.113 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 82 12.639 9.439 -9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.153 11.749 -10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.915 10.974 -11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.349 8.477 -11.162 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.157 9.125 -12.294 1.00 0.00 H new ATOM 1109 N TRP A 83 12.025 9.095 -3.271 1.00 0.00 N ATOM 1110 CA TRP A 83 13.071 9.055 -2.263 1.00 0.00 C ATOM 1111 C TRP A 83 14.273 8.268 -2.770 1.00 0.00 C ATOM 1112 O TRP A 83 15.422 8.643 -2.526 1.00 0.00 O ATOM 1113 CB TRP A 83 12.536 8.433 -0.974 1.00 0.00 C ATOM 1114 CG TRP A 83 13.327 8.799 0.247 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.509 8.252 0.657 1.00 0.00 C ATOM 1116 CD2 TRP A 83 12.986 9.790 1.225 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.924 8.845 1.824 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.006 9.791 2.192 1.00 0.00 C ATOM 1119 CE3 TRP A 83 11.918 10.680 1.375 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 13.991 10.644 3.294 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 11.902 11.526 2.469 1.00 0.00 C ATOM 1122 CH2 TRP A 83 12.934 11.502 3.414 1.00 0.00 C ATOM 0 H TRP A 83 11.499 8.227 -3.373 1.00 0.00 H new ATOM 0 HA TRP A 83 13.391 10.076 -2.055 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.501 8.745 -0.833 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.530 7.348 -1.080 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.040 7.467 0.139 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.778 8.617 2.334 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.119 10.706 0.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.785 10.628 4.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.081 12.216 2.596 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.894 12.176 4.257 1.00 0.00 H new ATOM 1133 N GLY A 84 13.999 7.185 -3.484 1.00 0.00 N ATOM 1134 CA GLY A 84 15.059 6.357 -4.018 1.00 0.00 C ATOM 1135 C GLY A 84 14.546 5.018 -4.490 1.00 0.00 C ATOM 1136 O GLY A 84 13.393 4.904 -4.913 1.00 0.00 O ATOM 0 H GLY A 84 13.056 6.865 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.540 6.874 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.821 6.205 -3.253 1.00 0.00 H new ATOM 1140 N THR A 85 15.384 3.998 -4.402 1.00 0.00 N ATOM 1141 CA THR A 85 15.003 2.662 -4.831 1.00 0.00 C ATOM 1142 C THR A 85 14.949 1.709 -3.640 1.00 0.00 C ATOM 1143 O THR A 85 15.654 1.900 -2.646 1.00 0.00 O ATOM 1144 CB THR A 85 15.984 2.109 -5.885 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.720 3.185 -6.487 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.239 1.340 -6.966 1.00 0.00 C ATOM 0 H THR A 85 16.334 4.070 -4.037 1.00 0.00 H new ATOM 0 HA THR A 85 14.013 2.736 -5.281 1.00 0.00 H new ATOM 0 HB THR A 85 16.674 1.431 -5.383 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.341 2.824 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.951 0.959 -7.698 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.702 0.506 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.529 2.003 -7.461 1.00 0.00 H new ATOM 1154 N VAL A 86 14.104 0.692 -3.738 1.00 0.00 N ATOM 1155 CA VAL A 86 13.960 -0.294 -2.675 1.00 0.00 C ATOM 1156 C VAL A 86 13.990 -1.708 -3.240 1.00 0.00 C ATOM 1157 O VAL A 86 13.817 -1.912 -4.446 1.00 0.00 O ATOM 1158 CB VAL A 86 12.649 -0.096 -1.880 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.794 1.026 -0.867 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.485 0.191 -2.814 1.00 0.00 C ATOM 0 H VAL A 86 13.505 0.528 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 86 14.802 -0.151 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 86 12.443 -1.023 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.859 1.146 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.594 0.784 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.033 1.955 -1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.575 0.326 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.690 1.098 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.355 -0.646 -3.501 1.00 0.00 H new ATOM 1170 N ASP A 87 14.207 -2.683 -2.371 1.00 0.00 N ATOM 1171 CA ASP A 87 14.261 -4.077 -2.782 1.00 0.00 C ATOM 1172 C ASP A 87 13.843 -4.988 -1.637 1.00 0.00 C ATOM 1173 O ASP A 87 14.348 -4.870 -0.519 1.00 0.00 O ATOM 1174 CB ASP A 87 15.670 -4.434 -3.257 1.00 0.00 C ATOM 1175 CG ASP A 87 15.819 -5.904 -3.584 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.560 -6.291 -4.743 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.199 -6.682 -2.686 1.00 0.00 O ATOM 0 H ASP A 87 14.349 -2.533 -1.372 1.00 0.00 H new ATOM 0 HA ASP A 87 13.565 -4.221 -3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.912 -3.843 -4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.389 -4.163 -2.484 1.00 0.00 H new ATOM 1182 N CYS A 88 12.922 -5.895 -1.915 1.00 0.00 N ATOM 1183 CA CYS A 88 12.436 -6.815 -0.904 1.00 0.00 C ATOM 1184 C CYS A 88 12.976 -8.225 -1.133 1.00 0.00 C ATOM 1185 O CYS A 88 12.320 -9.213 -0.803 1.00 0.00 O ATOM 1186 CB CYS A 88 10.908 -6.818 -0.883 1.00 0.00 C ATOM 1187 SG CYS A 88 10.181 -5.299 -0.182 1.00 0.00 S ATOM 0 H CYS A 88 12.496 -6.013 -2.834 1.00 0.00 H new ATOM 0 HA CYS A 88 12.799 -6.476 0.066 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.540 -6.950 -1.900 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.563 -7.675 -0.305 1.00 0.00 H new ATOM 1192 N THR A 89 14.170 -8.321 -1.710 1.00 0.00 N ATOM 1193 CA THR A 89 14.791 -9.618 -1.937 1.00 0.00 C ATOM 1194 C THR A 89 15.492 -10.065 -0.665 1.00 0.00 C ATOM 1195 O THR A 89 15.568 -11.255 -0.361 1.00 0.00 O ATOM 1196 CB THR A 89 15.804 -9.577 -3.101 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.215 -8.934 -4.237 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.255 -10.979 -3.490 1.00 0.00 C ATOM 0 H THR A 89 14.721 -7.523 -2.026 1.00 0.00 H new ATOM 0 HA THR A 89 14.007 -10.325 -2.208 1.00 0.00 H new ATOM 0 HB THR A 89 16.676 -9.014 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.863 -8.910 -4.972 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.968 -10.917 -4.312 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.729 -11.459 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.391 -11.566 -3.802 1.00 0.00 H new ATOM 1206 N THR A 90 15.984 -9.091 0.086 1.00 0.00 N ATOM 1207 CA THR A 90 16.663 -9.357 1.338 1.00 0.00 C ATOM 1208 C THR A 90 16.046 -8.510 2.453 1.00 0.00 C ATOM 1209 O THR A 90 16.576 -8.417 3.560 1.00 0.00 O ATOM 1210 CB THR A 90 18.184 -9.079 1.226 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.845 -9.400 2.460 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.451 -7.624 0.861 1.00 0.00 C ATOM 0 H THR A 90 15.923 -8.102 -0.156 1.00 0.00 H new ATOM 0 HA THR A 90 16.537 -10.413 1.577 1.00 0.00 H new ATOM 0 HB THR A 90 18.580 -9.712 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.267 -9.158 3.213 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.526 -7.458 0.789 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.984 -7.398 -0.098 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.034 -6.974 1.630 1.00 0.00 H new ATOM 1220 N ALA A 91 14.902 -7.912 2.151 1.00 0.00 N ATOM 1221 CA ALA A 91 14.199 -7.068 3.107 1.00 0.00 C ATOM 1222 C ALA A 91 12.725 -7.449 3.151 1.00 0.00 C ATOM 1223 O ALA A 91 12.278 -8.284 2.365 1.00 0.00 O ATOM 1224 CB ALA A 91 14.359 -5.597 2.747 1.00 0.00 C ATOM 0 H ALA A 91 14.439 -7.997 1.246 1.00 0.00 H new ATOM 0 HA ALA A 91 14.633 -7.224 4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.826 -4.984 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.417 -5.333 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.949 -5.419 1.753 1.00 0.00 H new ATOM 1230 N ALA A 92 11.975 -6.825 4.047 1.00 0.00 N ATOM 1231 CA ALA A 92 10.558 -7.124 4.182 1.00 0.00 C ATOM 1232 C ALA A 92 9.701 -6.093 3.457 1.00 0.00 C ATOM 1233 O ALA A 92 9.985 -4.892 3.488 1.00 0.00 O ATOM 1234 CB ALA A 92 10.168 -7.200 5.651 1.00 0.00 C ATOM 0 H ALA A 92 12.322 -6.112 4.688 1.00 0.00 H new ATOM 0 HA ALA A 92 10.377 -8.094 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.105 -7.424 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.744 -7.986 6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.376 -6.244 6.133 1.00 0.00 H new ATOM 1240 N CYS A 93 8.654 -6.572 2.807 1.00 0.00 N ATOM 1241 CA CYS A 93 7.736 -5.711 2.081 1.00 0.00 C ATOM 1242 C CYS A 93 6.442 -5.553 2.877 1.00 0.00 C ATOM 1243 O CYS A 93 5.983 -6.498 3.515 1.00 0.00 O ATOM 1244 CB CYS A 93 7.436 -6.299 0.697 1.00 0.00 C ATOM 1245 SG CYS A 93 8.217 -5.410 -0.690 1.00 0.00 S ATOM 0 H CYS A 93 8.417 -7.563 2.768 1.00 0.00 H new ATOM 0 HA CYS A 93 8.197 -4.732 1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.767 -7.337 0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.357 -6.306 0.546 1.00 0.00 H new ATOM 1250 N GLN A 94 5.861 -4.366 2.845 1.00 0.00 N ATOM 1251 CA GLN A 94 4.624 -4.108 3.565 1.00 0.00 C ATOM 1252 C GLN A 94 3.620 -3.422 2.660 1.00 0.00 C ATOM 1253 O GLN A 94 3.986 -2.865 1.627 1.00 0.00 O ATOM 1254 CB GLN A 94 4.867 -3.271 4.830 1.00 0.00 C ATOM 1255 CG GLN A 94 5.830 -2.104 4.650 1.00 0.00 C ATOM 1256 CD GLN A 94 7.233 -2.436 5.121 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.097 -2.816 4.196 1.00 0.00 O flip ATOM 1258 NE2 GLN A 94 7.539 -2.332 6.308 1.00 0.00 N flip ATOM 0 H GLN A 94 6.225 -3.565 2.329 1.00 0.00 H new ATOM 0 HA GLN A 94 4.218 -5.069 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.911 -2.883 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.253 -3.925 5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.860 -1.820 3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.459 -1.241 5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.841 -2.035 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.490 -2.542 6.610 1.00 0.00 H new ATOM 1267 N VAL A 95 2.359 -3.473 3.041 1.00 0.00 N ATOM 1268 CA VAL A 95 1.304 -2.864 2.251 1.00 0.00 C ATOM 1269 C VAL A 95 0.926 -1.503 2.814 1.00 0.00 C ATOM 1270 O VAL A 95 0.503 -1.394 3.967 1.00 0.00 O ATOM 1271 CB VAL A 95 0.047 -3.757 2.201 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.873 -3.331 1.068 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.429 -5.223 2.056 1.00 0.00 C ATOM 0 H VAL A 95 2.038 -3.931 3.894 1.00 0.00 H new ATOM 0 HA VAL A 95 1.690 -2.745 1.239 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.489 -3.636 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.753 -3.975 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.183 -2.297 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.344 -3.416 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.474 -5.833 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.995 -5.362 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.040 -5.526 2.906 1.00 0.00 H new ATOM 1283 N GLY A 96 1.092 -0.473 1.999 1.00 0.00 N ATOM 1284 CA GLY A 96 0.754 0.868 2.415 1.00 0.00 C ATOM 1285 C GLY A 96 -0.637 1.243 1.975 1.00 0.00 C ATOM 1286 O GLY A 96 -0.917 1.302 0.779 1.00 0.00 O ATOM 0 H GLY A 96 1.458 -0.545 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.827 0.944 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.473 1.573 1.997 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.515 1.470 2.939 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.896 1.822 2.653 1.00 0.00 C ATOM 1292 C LEU A 97 -3.325 3.028 3.481 1.00 0.00 C ATOM 1293 O LEU A 97 -3.464 2.940 4.704 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.812 0.623 2.932 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.156 -0.540 3.688 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.245 -0.328 5.192 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.799 -1.861 3.294 1.00 0.00 C ATOM 0 H LEU A 97 -1.293 1.416 3.933 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.978 2.088 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.672 0.969 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.193 0.249 1.982 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.102 -0.573 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.773 -1.165 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.734 0.597 5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.292 -0.263 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.322 -2.675 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.861 -1.835 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.675 -2.021 2.223 1.00 0.00 H new ATOM 1309 N SER A 98 -3.506 4.160 2.822 1.00 0.00 N ATOM 1310 CA SER A 98 -3.913 5.380 3.500 1.00 0.00 C ATOM 1311 C SER A 98 -4.725 6.265 2.562 1.00 0.00 C ATOM 1312 O SER A 98 -4.618 6.144 1.346 1.00 0.00 O ATOM 1313 CB SER A 98 -2.683 6.134 4.017 1.00 0.00 C ATOM 1314 OG SER A 98 -1.948 5.333 4.930 1.00 0.00 O ATOM 0 H SER A 98 -3.377 4.260 1.815 1.00 0.00 H new ATOM 0 HA SER A 98 -4.541 5.113 4.350 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.045 6.417 3.179 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.995 7.057 4.506 1.00 0.00 H new ATOM 0 HG SER A 98 -1.166 5.832 5.247 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.551 7.135 3.130 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.380 8.043 2.343 1.00 0.00 C ATOM 1322 C ASP A 99 -5.579 9.273 1.920 1.00 0.00 C ATOM 1323 O ASP A 99 -4.365 9.330 2.122 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.618 8.467 3.149 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.342 9.621 4.096 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.525 9.457 5.026 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.943 10.701 3.911 1.00 0.00 O ATOM 0 H ASP A 99 -5.666 7.232 4.139 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.707 7.519 1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.413 8.752 2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.982 7.614 3.721 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.267 10.256 1.344 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.629 11.488 0.896 1.00 0.00 C ATOM 1334 C ALA A 100 -4.928 12.209 2.048 1.00 0.00 C ATOM 1335 O ALA A 100 -3.891 12.846 1.852 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.653 12.402 0.240 1.00 0.00 C ATOM 0 H ALA A 100 -7.273 10.221 1.177 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.868 11.223 0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.164 13.319 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.094 11.897 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.435 12.647 0.958 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.485 12.099 3.251 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.898 12.740 4.424 1.00 0.00 C ATOM 1344 C ALA A 101 -3.679 11.962 4.911 1.00 0.00 C ATOM 1345 O ALA A 101 -2.922 12.433 5.759 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.930 12.858 5.535 1.00 0.00 C ATOM 0 H ALA A 101 -6.339 11.574 3.439 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.574 13.742 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.477 13.338 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.772 13.457 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.281 11.864 5.812 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.495 10.768 4.368 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.369 9.943 4.749 1.00 0.00 C ATOM 1354 C GLY A 102 -2.655 9.110 5.978 1.00 0.00 C ATOM 1355 O GLY A 102 -1.730 8.673 6.670 1.00 0.00 O ATOM 0 H GLY A 102 -4.109 10.354 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.107 9.285 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.504 10.578 4.937 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.930 8.879 6.253 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.325 8.091 7.412 1.00 0.00 C ATOM 1361 C ASN A 103 -5.180 6.906 6.992 1.00 0.00 C ATOM 1362 O ASN A 103 -5.517 6.756 5.821 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.089 8.957 8.411 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.185 9.885 9.197 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.635 9.506 10.232 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.027 11.106 8.714 1.00 0.00 N ATOM 0 H ASN A 103 -4.708 9.225 5.691 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.420 7.715 7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.833 9.548 7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.631 8.313 9.103 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.431 11.774 9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.501 11.379 7.853 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.530 6.070 7.952 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.339 4.905 7.663 1.00 0.00 C ATOM 1375 C GLY A 104 -5.894 3.712 8.477 1.00 0.00 C ATOM 1376 O GLY A 104 -5.396 3.881 9.595 1.00 0.00 O ATOM 0 H GLY A 104 -5.268 6.176 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.385 5.124 7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.273 4.668 6.601 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.056 2.491 7.947 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.647 1.273 8.644 1.00 0.00 C ATOM 1382 C PRO A 105 -4.134 1.207 8.814 1.00 0.00 C ATOM 1383 O PRO A 105 -3.387 1.859 8.078 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.141 0.136 7.733 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.096 0.772 6.780 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.647 2.197 6.634 1.00 0.00 C ATOM 0 HA PRO A 105 -6.059 1.219 9.652 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.311 -0.331 7.203 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.629 -0.647 8.313 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.087 0.259 5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.117 0.721 7.158 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.921 2.311 5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.480 2.862 6.408 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.687 0.438 9.793 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.262 0.293 10.055 1.00 0.00 C ATOM 1396 C GLU A 106 -1.619 -0.568 8.974 1.00 0.00 C ATOM 1397 O GLU A 106 -2.242 -1.510 8.473 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.035 -0.327 11.436 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.636 -0.110 11.983 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.388 -0.900 13.247 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.061 -2.099 13.148 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.525 -0.327 14.350 1.00 0.00 O ATOM 0 H GLU A 106 -4.289 -0.096 10.420 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.799 1.280 10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.758 0.093 12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.231 -1.398 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.096 -0.397 11.228 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.487 0.951 12.185 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.382 -0.241 8.619 1.00 0.00 N ATOM 1410 CA GLY A 107 0.324 -0.975 7.585 1.00 0.00 C ATOM 1411 C GLY A 107 0.613 -2.412 7.974 1.00 0.00 C ATOM 1412 O GLY A 107 1.068 -2.688 9.087 1.00 0.00 O ATOM 0 H GLY A 107 0.148 0.526 9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.268 -0.964 6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.263 -0.468 7.363 1.00 0.00 H new ATOM 1416 N VAL A 108 0.361 -3.325 7.046 1.00 0.00 N ATOM 1417 CA VAL A 108 0.588 -4.745 7.278 1.00 0.00 C ATOM 1418 C VAL A 108 1.821 -5.213 6.515 1.00 0.00 C ATOM 1419 O VAL A 108 1.954 -4.945 5.322 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.634 -5.584 6.839 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.411 -7.064 7.115 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.893 -5.096 7.535 1.00 0.00 C ATOM 0 H VAL A 108 -0.003 -3.105 6.119 1.00 0.00 H new ATOM 0 HA VAL A 108 0.743 -4.887 8.348 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.760 -5.458 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.287 -7.630 6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.464 -7.409 6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.251 -7.215 8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.743 -5.698 7.214 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.771 -5.187 8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.070 -4.052 7.277 1.00 0.00 H new ATOM 1432 N ALA A 109 2.717 -5.905 7.204 1.00 0.00 N ATOM 1433 CA ALA A 109 3.940 -6.407 6.592 1.00 0.00 C ATOM 1434 C ALA A 109 3.760 -7.851 6.138 1.00 0.00 C ATOM 1435 O ALA A 109 3.095 -8.642 6.807 1.00 0.00 O ATOM 1436 CB ALA A 109 5.104 -6.295 7.566 1.00 0.00 C ATOM 0 H ALA A 109 2.619 -6.133 8.193 1.00 0.00 H new ATOM 0 HA ALA A 109 4.162 -5.798 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.011 -6.674 7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.248 -5.250 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.888 -6.880 8.460 1.00 0.00 H new ATOM 1442 N ILE A 110 4.344 -8.189 4.995 1.00 0.00 N ATOM 1443 CA ILE A 110 4.249 -9.539 4.456 1.00 0.00 C ATOM 1444 C ILE A 110 5.635 -10.123 4.201 1.00 0.00 C ATOM 1445 O ILE A 110 6.641 -9.413 4.255 1.00 0.00 O ATOM 1446 CB ILE A 110 3.421 -9.592 3.150 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.831 -8.468 2.195 1.00 0.00 C ATOM 1448 CG2 ILE A 110 1.932 -9.520 3.460 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.168 -8.558 0.837 1.00 0.00 C ATOM 0 H ILE A 110 4.890 -7.545 4.423 1.00 0.00 H new ATOM 0 HA ILE A 110 3.734 -10.137 5.208 1.00 0.00 H new ATOM 0 HB ILE A 110 3.625 -10.542 2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.583 -7.508 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.913 -8.489 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.364 -9.558 2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.651 -10.362 4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.713 -8.587 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.504 -7.730 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.436 -9.502 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.086 -8.506 0.956 1.00 0.00 H new ATOM 1461 N SER A 111 5.683 -11.417 3.942 1.00 0.00 N ATOM 1462 CA SER A 111 6.938 -12.099 3.677 1.00 0.00 C ATOM 1463 C SER A 111 6.734 -13.187 2.633 1.00 0.00 C ATOM 1464 O SER A 111 5.636 -13.737 2.508 1.00 0.00 O ATOM 1465 CB SER A 111 7.500 -12.688 4.970 1.00 0.00 C ATOM 1466 OG SER A 111 7.810 -11.653 5.889 1.00 0.00 O ATOM 0 H SER A 111 4.862 -12.021 3.909 1.00 0.00 H new ATOM 0 HA SER A 111 7.657 -11.379 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.774 -13.371 5.412 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.395 -13.271 4.753 1.00 0.00 H new ATOM 0 HG SER A 111 8.168 -12.044 6.714 1.00 0.00 H new ATOM 1472 N PHE A 112 7.789 -13.489 1.891 1.00 0.00 N ATOM 1473 CA PHE A 112 7.734 -14.496 0.838 1.00 0.00 C ATOM 1474 C PHE A 112 8.348 -15.809 1.306 1.00 0.00 C ATOM 1475 O PHE A 112 9.130 -15.834 2.261 1.00 0.00 O ATOM 1476 CB PHE A 112 8.457 -13.989 -0.415 1.00 0.00 C ATOM 1477 CG PHE A 112 8.203 -12.536 -0.702 1.00 0.00 C ATOM 1478 CD1 PHE A 112 6.995 -12.119 -1.240 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.173 -11.586 -0.428 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.762 -10.783 -1.501 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.945 -10.249 -0.687 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.737 -9.847 -1.224 1.00 0.00 C ATOM 0 H PHE A 112 8.702 -13.047 1.999 1.00 0.00 H new ATOM 0 HA PHE A 112 6.687 -14.679 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.529 -14.146 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.141 -14.582 -1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.228 -12.847 -1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.118 -11.895 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.817 -10.471 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.710 -9.518 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.556 -8.802 -1.427 1.00 0.00 H new ATOM 1492 N ASN A 113 7.992 -16.893 0.632 1.00 0.00 N ATOM 1493 CA ASN A 113 8.509 -18.212 0.979 1.00 0.00 C ATOM 1494 C ASN A 113 9.848 -18.456 0.298 1.00 0.00 C ATOM 1495 O ASN A 113 10.659 -19.233 0.844 1.00 0.00 O ATOM 1496 CB ASN A 113 7.514 -19.318 0.599 1.00 0.00 C ATOM 1497 CG ASN A 113 7.348 -19.488 -0.899 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.142 -20.161 -1.561 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.292 -18.906 -1.437 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.090 -17.862 -0.776 1.00 0.00 O ATOM 0 H ASN A 113 7.347 -16.887 -0.158 1.00 0.00 H new ATOM 0 HA ASN A 113 8.651 -18.239 2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.849 -20.262 1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.544 -19.092 1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.109 -19.005 -2.436 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.660 -18.358 -0.854 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.499 5.519 4.506 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.030 6.755 4.162 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.263 7.116 2.825 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.935 6.135 1.750 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.387 4.851 2.188 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.192 4.590 3.510 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.648 3.367 4.201 1.00 20.00 C HETATM 1515 C2' FLN A 114 4.269 2.130 4.038 1.00 20.00 C HETATM 1516 C3' FLN A 114 3.758 1.005 4.685 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.625 1.053 5.510 1.00 20.00 C HETATM 1518 C5' FLN A 114 2.030 2.315 5.646 1.00 20.00 C HETATM 1519 C6' FLN A 114 2.518 3.453 5.013 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.123 6.402 0.558 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.804 8.394 2.542 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.093 9.279 3.597 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.845 8.879 4.927 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.312 7.623 5.213 1.00 20.00 C HETATM 0 H8 FLN A 114 5.119 7.325 6.244 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.074 9.563 5.744 1.00 20.00 H new HETATM 0 H6' FLN A 114 2.017 4.411 5.152 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.505 10.266 3.388 1.00 20.00 H new HETATM 0 H5' FLN A 114 1.145 2.408 6.276 1.00 20.00 H new HETATM 0 H5 FLN A 114 5.996 8.691 1.511 1.00 20.00 H new HETATM 0 H4' FLN A 114 2.233 0.168 6.012 1.00 20.00 H new HETATM 0 H3' FLN A 114 4.260 0.048 4.543 1.00 20.00 H new HETATM 0 H3 FLN A 114 4.132 4.094 1.447 1.00 20.00 H new HETATM 0 H2' FLN A 114 5.153 2.042 3.406 1.00 20.00 H new