USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 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= 0.285 USER MOD Set 1.2: A 113 ASN : amide:sc= 1.36 K(o=1.6,f=0.56) USER MOD Single : A 1 ALA N :NH3+ 148:sc= 0.0135 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 67:sc= 1 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -161:sc= -0.389 USER MOD Single : A 11 SER OG : rot 180:sc= 0.114 USER MOD Single : A 17 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.76) USER MOD Single : A 30 THR OG1 : rot 74:sc= 1.11 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.633 USER MOD Single : A 36 GLN : amide:sc= -1.39! C(o=-1.4!,f=-6.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0846 USER MOD Single : A 48 ASN : amide:sc= -0.456 K(o=-0.46,f=-10!) USER MOD Single : A 53 SER OG : rot -5:sc= 0.138 USER MOD Single : A 54 SER OG : rot 180:sc= -0.125 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 62 SER OG : rot 94:sc= 0.0652 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 174:sc= 0.0337 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 143:sc= 1.32 USER MOD Single : A 72 SER OG : rot -75:sc= 1.33 USER MOD Single : A 81 THR OG1 : rot 99:sc= 0.983 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 62:sc= -0.23! USER MOD Single : A 90 THR OG1 : rot -44:sc= 0.272 USER MOD Single : A 94 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.6!) USER MOD Single : A 98 SER OG : rot 149:sc= 0.182 USER MOD Single : A 103 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.094 4.973 16.324 1.00 0.00 N ATOM 2 CA ALA A 1 -16.672 3.808 15.620 1.00 0.00 C ATOM 3 C ALA A 1 -15.567 2.897 15.106 1.00 0.00 C ATOM 4 O ALA A 1 -14.537 3.373 14.624 1.00 0.00 O ATOM 5 CB ALA A 1 -17.558 4.266 14.472 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.713 5.799 16.195 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.009 4.759 17.338 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.152 5.182 15.935 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.284 3.247 16.326 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.975 3.396 13.965 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.368 4.882 14.861 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.966 4.849 13.766 1.00 0.00 H new ATOM 11 N ALA A 2 -15.777 1.592 15.211 1.00 0.00 N ATOM 12 CA ALA A 2 -14.793 0.624 14.754 1.00 0.00 C ATOM 13 C ALA A 2 -15.171 0.092 13.376 1.00 0.00 C ATOM 14 O ALA A 2 -16.231 -0.517 13.206 1.00 0.00 O ATOM 15 CB ALA A 2 -14.661 -0.519 15.753 1.00 0.00 C ATOM 0 H ALA A 2 -16.621 1.180 15.609 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.827 1.123 14.678 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.920 -1.233 15.393 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.345 -0.124 16.718 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.623 -1.019 15.863 1.00 0.00 H new ATOM 21 N PRO A 3 -14.324 0.329 12.364 1.00 0.00 N ATOM 22 CA PRO A 3 -14.578 -0.136 11.009 1.00 0.00 C ATOM 23 C PRO A 3 -14.148 -1.588 10.810 1.00 0.00 C ATOM 24 O PRO A 3 -13.803 -2.278 11.772 1.00 0.00 O ATOM 25 CB PRO A 3 -13.740 0.807 10.142 1.00 0.00 C ATOM 26 CG PRO A 3 -12.681 1.375 11.036 1.00 0.00 C ATOM 27 CD PRO A 3 -13.053 1.062 12.467 1.00 0.00 C ATOM 0 HA PRO A 3 -15.639 -0.120 10.761 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.294 0.271 9.304 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.358 1.599 9.721 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.709 0.946 10.794 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.599 2.452 10.891 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.286 0.460 12.954 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.166 1.972 13.056 1.00 0.00 H new ATOM 35 N THR A 4 -14.169 -2.048 9.566 1.00 0.00 N ATOM 36 CA THR A 4 -13.790 -3.414 9.250 1.00 0.00 C ATOM 37 C THR A 4 -12.660 -3.442 8.221 1.00 0.00 C ATOM 38 O THR A 4 -12.887 -3.266 7.020 1.00 0.00 O ATOM 39 CB THR A 4 -14.996 -4.211 8.712 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.168 -3.919 9.493 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.716 -5.705 8.748 1.00 0.00 C ATOM 0 H THR A 4 -14.446 -1.491 8.758 1.00 0.00 H new ATOM 0 HA THR A 4 -13.442 -3.879 10.172 1.00 0.00 H new ATOM 0 HB THR A 4 -15.167 -3.914 7.677 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.929 -4.428 9.143 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.580 -6.247 8.364 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.845 -5.927 8.131 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.521 -6.014 9.775 1.00 0.00 H new ATOM 49 N ALA A 5 -11.443 -3.639 8.702 1.00 0.00 N ATOM 50 CA ALA A 5 -10.281 -3.692 7.833 1.00 0.00 C ATOM 51 C ALA A 5 -9.970 -5.130 7.438 1.00 0.00 C ATOM 52 O ALA A 5 -9.179 -5.817 8.088 1.00 0.00 O ATOM 53 CB ALA A 5 -9.086 -3.046 8.512 1.00 0.00 C ATOM 0 H ALA A 5 -11.235 -3.765 9.693 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.502 -3.134 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.222 -3.093 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.315 -2.004 8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.863 -3.577 9.438 1.00 0.00 H new ATOM 59 N THR A 6 -10.615 -5.586 6.380 1.00 0.00 N ATOM 60 CA THR A 6 -10.419 -6.938 5.888 1.00 0.00 C ATOM 61 C THR A 6 -9.325 -6.972 4.828 1.00 0.00 C ATOM 62 O THR A 6 -9.576 -6.729 3.645 1.00 0.00 O ATOM 63 CB THR A 6 -11.724 -7.505 5.302 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.739 -6.483 5.292 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.202 -8.700 6.116 1.00 0.00 C ATOM 0 H THR A 6 -11.284 -5.036 5.841 1.00 0.00 H new ATOM 0 HA THR A 6 -10.116 -7.557 6.733 1.00 0.00 H new ATOM 0 HB THR A 6 -11.532 -7.835 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.488 -5.779 4.658 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.126 -9.087 5.686 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.440 -9.479 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.383 -8.390 7.145 1.00 0.00 H new ATOM 73 N VAL A 7 -8.107 -7.250 5.258 1.00 0.00 N ATOM 74 CA VAL A 7 -6.979 -7.305 4.349 1.00 0.00 C ATOM 75 C VAL A 7 -6.386 -8.707 4.290 1.00 0.00 C ATOM 76 O VAL A 7 -6.233 -9.373 5.313 1.00 0.00 O ATOM 77 CB VAL A 7 -5.877 -6.295 4.740 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.381 -4.873 4.562 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.398 -6.519 6.171 1.00 0.00 C ATOM 0 H VAL A 7 -7.875 -7.441 6.233 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.359 -7.037 3.363 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.025 -6.453 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.595 -4.171 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.658 -4.713 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.252 -4.714 5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.623 -5.792 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.236 -6.399 6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.992 -7.526 6.265 1.00 0.00 H new ATOM 89 N THR A 8 -6.079 -9.155 3.086 1.00 0.00 N ATOM 90 CA THR A 8 -5.484 -10.466 2.877 1.00 0.00 C ATOM 91 C THR A 8 -4.039 -10.313 2.411 1.00 0.00 C ATOM 92 O THR A 8 -3.780 -10.111 1.223 1.00 0.00 O ATOM 93 CB THR A 8 -6.272 -11.283 1.836 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.678 -11.057 2.001 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.974 -12.771 1.973 1.00 0.00 C ATOM 0 H THR A 8 -6.233 -8.625 2.228 1.00 0.00 H new ATOM 0 HA THR A 8 -5.514 -11.000 3.827 1.00 0.00 H new ATOM 0 HB THR A 8 -5.963 -10.958 0.842 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.173 -11.578 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.543 -13.326 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.909 -12.944 1.820 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.257 -13.109 2.970 1.00 0.00 H new ATOM 103 N PRO A 9 -3.084 -10.390 3.347 1.00 0.00 N ATOM 104 CA PRO A 9 -1.664 -10.240 3.038 1.00 0.00 C ATOM 105 C PRO A 9 -1.046 -11.504 2.438 1.00 0.00 C ATOM 106 O PRO A 9 -1.467 -12.620 2.744 1.00 0.00 O ATOM 107 CB PRO A 9 -1.054 -9.939 4.407 1.00 0.00 C ATOM 108 CG PRO A 9 -1.934 -10.649 5.378 1.00 0.00 C ATOM 109 CD PRO A 9 -3.319 -10.634 4.785 1.00 0.00 C ATOM 0 HA PRO A 9 -1.486 -9.470 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.026 -10.296 4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.031 -8.867 4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.591 -11.671 5.538 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.921 -10.153 6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.836 -11.579 4.951 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.935 -9.852 5.228 1.00 0.00 H new ATOM 117 N SER A 10 -0.044 -11.321 1.587 1.00 0.00 N ATOM 118 CA SER A 10 0.643 -12.433 0.946 1.00 0.00 C ATOM 119 C SER A 10 1.798 -12.933 1.819 1.00 0.00 C ATOM 120 O SER A 10 2.920 -13.118 1.345 1.00 0.00 O ATOM 121 CB SER A 10 1.171 -11.975 -0.412 1.00 0.00 C ATOM 122 OG SER A 10 1.420 -10.580 -0.408 1.00 0.00 O ATOM 0 H SER A 10 0.313 -10.403 1.323 1.00 0.00 H new ATOM 0 HA SER A 10 -0.058 -13.256 0.811 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.089 -12.513 -0.651 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.447 -12.218 -1.190 1.00 0.00 H new ATOM 0 HG SER A 10 1.462 -10.253 -1.331 1.00 0.00 H new ATOM 128 N SER A 11 1.510 -13.150 3.094 1.00 0.00 N ATOM 129 CA SER A 11 2.506 -13.610 4.048 1.00 0.00 C ATOM 130 C SER A 11 2.984 -15.024 3.725 1.00 0.00 C ATOM 131 O SER A 11 2.229 -15.991 3.840 1.00 0.00 O ATOM 132 CB SER A 11 1.905 -13.566 5.449 1.00 0.00 C ATOM 133 OG SER A 11 0.696 -12.820 5.448 1.00 0.00 O ATOM 0 H SER A 11 0.582 -13.012 3.495 1.00 0.00 H new ATOM 0 HA SER A 11 3.373 -12.953 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.714 -14.580 5.801 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.616 -13.117 6.142 1.00 0.00 H new ATOM 0 HG SER A 11 0.322 -12.802 6.354 1.00 0.00 H new ATOM 139 N GLY A 12 4.232 -15.131 3.296 1.00 0.00 N ATOM 140 CA GLY A 12 4.798 -16.423 2.972 1.00 0.00 C ATOM 141 C GLY A 12 4.739 -16.728 1.490 1.00 0.00 C ATOM 142 O GLY A 12 5.368 -17.677 1.020 1.00 0.00 O ATOM 0 H GLY A 12 4.865 -14.342 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.835 -16.455 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.263 -17.198 3.521 1.00 0.00 H new ATOM 146 N LEU A 13 4.000 -15.919 0.750 1.00 0.00 N ATOM 147 CA LEU A 13 3.859 -16.121 -0.685 1.00 0.00 C ATOM 148 C LEU A 13 5.009 -15.453 -1.432 1.00 0.00 C ATOM 149 O LEU A 13 5.662 -14.559 -0.901 1.00 0.00 O ATOM 150 CB LEU A 13 2.508 -15.581 -1.170 1.00 0.00 C ATOM 151 CG LEU A 13 1.291 -16.091 -0.396 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.007 -15.598 -1.032 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.293 -17.606 -0.329 1.00 0.00 C ATOM 0 H LEU A 13 3.488 -15.117 1.117 1.00 0.00 H new ATOM 0 HA LEU A 13 3.894 -17.191 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.527 -14.493 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.386 -15.842 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 13 1.349 -15.699 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.846 -15.972 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.005 -14.508 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.052 -15.959 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.419 -17.947 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.264 -18.015 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.198 -17.947 0.174 1.00 0.00 H new ATOM 165 N SER A 14 5.269 -15.908 -2.650 1.00 0.00 N ATOM 166 CA SER A 14 6.345 -15.352 -3.462 1.00 0.00 C ATOM 167 C SER A 14 5.953 -13.991 -4.042 1.00 0.00 C ATOM 168 O SER A 14 4.825 -13.526 -3.852 1.00 0.00 O ATOM 169 CB SER A 14 6.698 -16.331 -4.586 1.00 0.00 C ATOM 170 OG SER A 14 6.788 -17.659 -4.093 1.00 0.00 O ATOM 0 H SER A 14 4.749 -16.662 -3.099 1.00 0.00 H new ATOM 0 HA SER A 14 7.218 -15.202 -2.827 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.941 -16.280 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.646 -16.043 -5.040 1.00 0.00 H new ATOM 0 HG SER A 14 7.013 -18.266 -4.828 1.00 0.00 H new ATOM 176 N ASP A 15 6.887 -13.346 -4.731 1.00 0.00 N ATOM 177 CA ASP A 15 6.622 -12.048 -5.335 1.00 0.00 C ATOM 178 C ASP A 15 5.707 -12.216 -6.538 1.00 0.00 C ATOM 179 O ASP A 15 5.606 -13.303 -7.107 1.00 0.00 O ATOM 180 CB ASP A 15 7.927 -11.359 -5.745 1.00 0.00 C ATOM 181 CG ASP A 15 8.510 -11.902 -7.036 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.046 -13.028 -7.022 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.442 -11.202 -8.069 1.00 0.00 O ATOM 0 H ASP A 15 7.831 -13.700 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 15 6.127 -11.416 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.746 -10.290 -5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.659 -11.476 -4.946 1.00 0.00 H new ATOM 188 N GLY A 16 5.024 -11.145 -6.900 1.00 0.00 N ATOM 189 CA GLY A 16 4.115 -11.188 -8.022 1.00 0.00 C ATOM 190 C GLY A 16 2.694 -11.437 -7.567 1.00 0.00 C ATOM 191 O GLY A 16 1.743 -11.235 -8.320 1.00 0.00 O ATOM 0 H GLY A 16 5.084 -10.240 -6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.164 -10.247 -8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.422 -11.974 -8.712 1.00 0.00 H new ATOM 195 N THR A 17 2.555 -11.872 -6.320 1.00 0.00 N ATOM 196 CA THR A 17 1.255 -12.156 -5.734 1.00 0.00 C ATOM 197 C THR A 17 0.442 -10.872 -5.571 1.00 0.00 C ATOM 198 O THR A 17 0.995 -9.796 -5.334 1.00 0.00 O ATOM 199 CB THR A 17 1.421 -12.851 -4.368 1.00 0.00 C ATOM 200 OG1 THR A 17 2.313 -13.964 -4.506 1.00 0.00 O ATOM 201 CG2 THR A 17 0.086 -13.338 -3.825 1.00 0.00 C ATOM 0 H THR A 17 3.340 -12.037 -5.690 1.00 0.00 H new ATOM 0 HA THR A 17 0.718 -12.824 -6.408 1.00 0.00 H new ATOM 0 HB THR A 17 1.829 -12.125 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.194 -13.723 -4.151 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.240 -13.823 -2.861 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.587 -12.490 -3.701 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.353 -14.051 -4.523 1.00 0.00 H new ATOM 209 N VAL A 18 -0.868 -10.988 -5.708 1.00 0.00 N ATOM 210 CA VAL A 18 -1.745 -9.838 -5.589 1.00 0.00 C ATOM 211 C VAL A 18 -2.385 -9.786 -4.201 1.00 0.00 C ATOM 212 O VAL A 18 -3.104 -10.703 -3.804 1.00 0.00 O ATOM 213 CB VAL A 18 -2.853 -9.861 -6.660 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.341 -8.454 -6.959 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.361 -10.535 -7.932 1.00 0.00 C ATOM 0 H VAL A 18 -1.347 -11.868 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.132 -8.949 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.690 -10.439 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.123 -8.494 -7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.741 -8.006 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.510 -7.851 -7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.160 -10.540 -8.674 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.504 -9.988 -8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.066 -11.561 -7.710 1.00 0.00 H new ATOM 225 N VAL A 19 -2.096 -8.719 -3.466 1.00 0.00 N ATOM 226 CA VAL A 19 -2.632 -8.523 -2.124 1.00 0.00 C ATOM 227 C VAL A 19 -4.053 -7.979 -2.199 1.00 0.00 C ATOM 228 O VAL A 19 -4.324 -7.044 -2.951 1.00 0.00 O ATOM 229 CB VAL A 19 -1.759 -7.540 -1.313 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.242 -7.431 0.126 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.297 -7.953 -1.360 1.00 0.00 C ATOM 0 H VAL A 19 -1.485 -7.966 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.632 -9.491 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.852 -6.556 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.607 -6.732 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.271 -7.072 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.194 -8.411 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.299 -7.247 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.187 -8.952 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.047 -7.957 -2.394 1.00 0.00 H new ATOM 241 N LYS A 20 -4.952 -8.561 -1.424 1.00 0.00 N ATOM 242 CA LYS A 20 -6.341 -8.133 -1.421 1.00 0.00 C ATOM 243 C LYS A 20 -6.627 -7.213 -0.239 1.00 0.00 C ATOM 244 O LYS A 20 -6.407 -7.576 0.916 1.00 0.00 O ATOM 245 CB LYS A 20 -7.267 -9.349 -1.385 1.00 0.00 C ATOM 246 CG LYS A 20 -8.728 -9.012 -1.633 1.00 0.00 C ATOM 247 CD LYS A 20 -9.573 -10.270 -1.795 1.00 0.00 C ATOM 248 CE LYS A 20 -9.148 -11.084 -3.012 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.121 -12.163 -3.337 1.00 0.00 N ATOM 0 H LYS A 20 -4.745 -9.331 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.528 -7.573 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.937 -10.068 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.175 -9.836 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.112 -8.420 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.813 -8.397 -2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.486 -10.884 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.623 -9.993 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.043 -10.421 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.168 -11.525 -2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.790 -12.689 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.203 -12.812 -2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.051 -11.743 -3.539 1.00 0.00 H new ATOM 263 N VAL A 21 -7.113 -6.019 -0.538 1.00 0.00 N ATOM 264 CA VAL A 21 -7.429 -5.038 0.485 1.00 0.00 C ATOM 265 C VAL A 21 -8.895 -4.627 0.394 1.00 0.00 C ATOM 266 O VAL A 21 -9.328 -4.067 -0.614 1.00 0.00 O ATOM 267 CB VAL A 21 -6.538 -3.783 0.345 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.964 -2.701 1.329 1.00 0.00 C ATOM 269 CG2 VAL A 21 -5.074 -4.145 0.547 1.00 0.00 C ATOM 0 H VAL A 21 -7.298 -5.705 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.240 -5.499 1.455 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.661 -3.389 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.322 -1.828 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.999 -2.419 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.877 -3.080 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.460 -3.250 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.938 -4.567 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.774 -4.878 -0.202 1.00 0.00 H new ATOM 279 N ALA A 22 -9.655 -4.922 1.438 1.00 0.00 N ATOM 280 CA ALA A 22 -11.069 -4.577 1.474 1.00 0.00 C ATOM 281 C ALA A 22 -11.410 -3.817 2.747 1.00 0.00 C ATOM 282 O ALA A 22 -11.612 -4.413 3.808 1.00 0.00 O ATOM 283 CB ALA A 22 -11.924 -5.827 1.366 1.00 0.00 C ATOM 0 H ALA A 22 -9.316 -5.400 2.273 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.281 -3.932 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.978 -5.550 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.708 -6.336 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.701 -6.493 2.199 1.00 0.00 H new ATOM 289 N GLY A 23 -11.471 -2.502 2.639 1.00 0.00 N ATOM 290 CA GLY A 23 -11.790 -1.684 3.786 1.00 0.00 C ATOM 291 C GLY A 23 -13.253 -1.310 3.829 1.00 0.00 C ATOM 292 O GLY A 23 -13.746 -0.615 2.944 1.00 0.00 O ATOM 0 H GLY A 23 -11.305 -1.985 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.527 -2.220 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.185 -0.777 3.764 1.00 0.00 H new ATOM 296 N ALA A 24 -13.954 -1.789 4.840 1.00 0.00 N ATOM 297 CA ALA A 24 -15.364 -1.489 4.999 1.00 0.00 C ATOM 298 C ALA A 24 -15.563 -0.589 6.206 1.00 0.00 C ATOM 299 O ALA A 24 -14.965 -0.812 7.259 1.00 0.00 O ATOM 300 CB ALA A 24 -16.170 -2.771 5.141 1.00 0.00 C ATOM 0 H ALA A 24 -13.567 -2.391 5.567 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.719 -0.967 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.225 -2.526 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.038 -3.385 4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.825 -3.322 6.016 1.00 0.00 H new ATOM 306 N GLY A 25 -16.382 0.435 6.050 1.00 0.00 N ATOM 307 CA GLY A 25 -16.616 1.350 7.143 1.00 0.00 C ATOM 308 C GLY A 25 -15.680 2.532 7.074 1.00 0.00 C ATOM 309 O GLY A 25 -15.279 3.081 8.100 1.00 0.00 O ATOM 0 H GLY A 25 -16.887 0.649 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.649 1.698 7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.481 0.830 8.091 1.00 0.00 H new ATOM 313 N LEU A 26 -15.322 2.914 5.858 1.00 0.00 N ATOM 314 CA LEU A 26 -14.427 4.039 5.643 1.00 0.00 C ATOM 315 C LEU A 26 -15.227 5.286 5.293 1.00 0.00 C ATOM 316 O LEU A 26 -16.458 5.277 5.343 1.00 0.00 O ATOM 317 CB LEU A 26 -13.432 3.721 4.523 1.00 0.00 C ATOM 318 CG LEU A 26 -12.567 2.474 4.741 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.655 2.252 3.543 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.745 2.609 6.018 1.00 0.00 C ATOM 0 H LEU A 26 -15.639 2.459 5.002 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.871 4.223 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.986 3.599 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.774 4.580 4.391 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.223 1.610 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.046 1.364 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.259 2.115 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.006 3.118 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.138 1.715 6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.095 3.481 5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.414 2.728 6.870 1.00 0.00 H new ATOM 332 N GLN A 27 -14.531 6.355 4.937 1.00 0.00 N ATOM 333 CA GLN A 27 -15.189 7.597 4.577 1.00 0.00 C ATOM 334 C GLN A 27 -15.653 7.536 3.124 1.00 0.00 C ATOM 335 O GLN A 27 -14.836 7.564 2.205 1.00 0.00 O ATOM 336 CB GLN A 27 -14.243 8.783 4.794 1.00 0.00 C ATOM 337 CG GLN A 27 -14.956 10.122 4.872 1.00 0.00 C ATOM 338 CD GLN A 27 -15.876 10.222 6.070 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.615 9.642 7.125 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.965 10.957 5.917 1.00 0.00 N ATOM 0 H GLN A 27 -13.513 6.385 4.890 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.061 7.736 5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.681 8.625 5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.519 8.813 3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.216 10.921 4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.534 10.275 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.146 11.422 5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.624 11.059 6.689 1.00 0.00 H new ATOM 349 N ALA A 28 -16.960 7.442 2.923 1.00 0.00 N ATOM 350 CA ALA A 28 -17.534 7.361 1.586 1.00 0.00 C ATOM 351 C ALA A 28 -17.226 8.611 0.765 1.00 0.00 C ATOM 352 O ALA A 28 -17.266 9.730 1.281 1.00 0.00 O ATOM 353 CB ALA A 28 -19.038 7.144 1.681 1.00 0.00 C ATOM 0 H ALA A 28 -17.648 7.420 3.675 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.079 6.513 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.461 7.084 0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.239 6.215 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.493 7.977 2.218 1.00 0.00 H new ATOM 359 N GLY A 29 -16.900 8.408 -0.504 1.00 0.00 N ATOM 360 CA GLY A 29 -16.598 9.520 -1.390 1.00 0.00 C ATOM 361 C GLY A 29 -15.136 9.925 -1.355 1.00 0.00 C ATOM 362 O GLY A 29 -14.753 10.938 -1.941 1.00 0.00 O ATOM 0 H GLY A 29 -16.838 7.488 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.870 9.249 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.213 10.376 -1.113 1.00 0.00 H new ATOM 366 N THR A 30 -14.317 9.143 -0.665 1.00 0.00 N ATOM 367 CA THR A 30 -12.895 9.436 -0.559 1.00 0.00 C ATOM 368 C THR A 30 -12.071 8.420 -1.340 1.00 0.00 C ATOM 369 O THR A 30 -12.451 7.252 -1.452 1.00 0.00 O ATOM 370 CB THR A 30 -12.434 9.431 0.912 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.512 9.840 1.760 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.246 10.360 1.119 1.00 0.00 C ATOM 0 H THR A 30 -14.613 8.301 -0.171 1.00 0.00 H new ATOM 0 HA THR A 30 -12.739 10.429 -0.979 1.00 0.00 H new ATOM 0 HB THR A 30 -12.127 8.416 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.169 9.116 1.827 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.943 10.336 2.166 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.415 10.033 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.528 11.377 0.846 1.00 0.00 H new ATOM 380 N ALA A 31 -10.952 8.871 -1.885 1.00 0.00 N ATOM 381 CA ALA A 31 -10.067 8.003 -2.638 1.00 0.00 C ATOM 382 C ALA A 31 -8.924 7.523 -1.751 1.00 0.00 C ATOM 383 O ALA A 31 -8.329 8.308 -1.010 1.00 0.00 O ATOM 384 CB ALA A 31 -9.523 8.726 -3.856 1.00 0.00 C ATOM 0 H ALA A 31 -10.636 9.839 -1.818 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.635 7.137 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.861 8.060 -4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.350 9.031 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.967 9.608 -3.537 1.00 0.00 H new ATOM 390 N TYR A 32 -8.634 6.233 -1.815 1.00 0.00 N ATOM 391 CA TYR A 32 -7.569 5.645 -1.015 1.00 0.00 C ATOM 392 C TYR A 32 -6.448 5.116 -1.905 1.00 0.00 C ATOM 393 O TYR A 32 -6.672 4.254 -2.757 1.00 0.00 O ATOM 394 CB TYR A 32 -8.125 4.517 -0.135 1.00 0.00 C ATOM 395 CG TYR A 32 -8.988 5.005 1.012 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.296 5.424 0.797 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.492 5.049 2.307 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.082 5.874 1.841 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.273 5.499 3.358 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.567 5.910 3.119 1.00 0.00 C ATOM 401 OH TYR A 32 -11.349 6.362 4.161 1.00 0.00 O ATOM 0 H TYR A 32 -9.124 5.570 -2.416 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.157 6.423 -0.373 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.711 3.840 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.293 3.940 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.705 5.397 -0.202 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.479 4.727 2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.096 6.196 1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.871 5.528 4.360 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.837 6.322 4.996 1.00 0.00 H new ATOM 411 N ASP A 33 -5.249 5.648 -1.708 1.00 0.00 N ATOM 412 CA ASP A 33 -4.083 5.232 -2.479 1.00 0.00 C ATOM 413 C ASP A 33 -3.400 4.073 -1.767 1.00 0.00 C ATOM 414 O ASP A 33 -2.816 4.243 -0.694 1.00 0.00 O ATOM 415 CB ASP A 33 -3.105 6.401 -2.657 1.00 0.00 C ATOM 416 CG ASP A 33 -2.102 6.167 -3.778 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.376 5.153 -3.738 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.040 7.003 -4.708 1.00 0.00 O ATOM 0 H ASP A 33 -5.057 6.373 -1.017 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.405 4.911 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.668 7.311 -2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.567 6.564 -1.723 1.00 0.00 H new ATOM 423 N VAL A 34 -3.500 2.890 -2.350 1.00 0.00 N ATOM 424 CA VAL A 34 -2.909 1.699 -1.761 1.00 0.00 C ATOM 425 C VAL A 34 -1.878 1.077 -2.695 1.00 0.00 C ATOM 426 O VAL A 34 -2.186 0.770 -3.850 1.00 0.00 O ATOM 427 CB VAL A 34 -3.983 0.638 -1.437 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.402 -0.460 -0.563 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.192 1.274 -0.767 1.00 0.00 C ATOM 0 H VAL A 34 -3.986 2.728 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.423 2.015 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.313 0.193 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.174 -1.198 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.576 -0.942 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.039 -0.029 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.934 0.505 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.883 1.753 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.627 2.019 -1.433 1.00 0.00 H new ATOM 439 N GLY A 35 -0.654 0.916 -2.207 1.00 0.00 N ATOM 440 CA GLY A 35 0.380 0.301 -3.010 1.00 0.00 C ATOM 441 C GLY A 35 1.356 -0.479 -2.161 1.00 0.00 C ATOM 442 O GLY A 35 1.240 -0.498 -0.934 1.00 0.00 O ATOM 0 H GLY A 35 -0.362 1.200 -1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.076 -0.363 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.915 1.071 -3.566 1.00 0.00 H new ATOM 446 N GLN A 36 2.301 -1.147 -2.804 1.00 0.00 N ATOM 447 CA GLN A 36 3.309 -1.900 -2.080 1.00 0.00 C ATOM 448 C GLN A 36 4.427 -0.956 -1.657 1.00 0.00 C ATOM 449 O GLN A 36 4.975 -0.218 -2.477 1.00 0.00 O ATOM 450 CB GLN A 36 3.864 -3.045 -2.932 1.00 0.00 C ATOM 451 CG GLN A 36 4.398 -2.602 -4.283 1.00 0.00 C ATOM 452 CD GLN A 36 5.404 -3.576 -4.862 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.486 -3.750 -6.073 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.187 -4.211 -4.002 1.00 0.00 N ATOM 0 H GLN A 36 2.390 -1.182 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 36 2.852 -2.344 -1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.663 -3.541 -2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.078 -3.784 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.566 -2.489 -4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.864 -1.622 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.089 -4.040 -3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.887 -4.871 -4.341 1.00 0.00 H new ATOM 463 N CYS A 37 4.743 -0.954 -0.379 1.00 0.00 N ATOM 464 CA CYS A 37 5.774 -0.073 0.141 1.00 0.00 C ATOM 465 C CYS A 37 6.739 -0.832 1.037 1.00 0.00 C ATOM 466 O CYS A 37 6.502 -1.989 1.370 1.00 0.00 O ATOM 467 CB CYS A 37 5.126 1.068 0.926 1.00 0.00 C ATOM 468 SG CYS A 37 3.397 1.399 0.453 1.00 0.00 S ATOM 0 H CYS A 37 4.302 -1.551 0.321 1.00 0.00 H new ATOM 0 HA CYS A 37 6.337 0.333 -0.700 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.163 0.831 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.712 1.975 0.781 1.00 0.00 H new ATOM 473 N ALA A 38 7.837 -0.179 1.395 1.00 0.00 N ATOM 474 CA ALA A 38 8.841 -0.769 2.268 1.00 0.00 C ATOM 475 C ALA A 38 9.804 0.304 2.755 1.00 0.00 C ATOM 476 O ALA A 38 9.731 1.453 2.316 1.00 0.00 O ATOM 477 CB ALA A 38 9.594 -1.875 1.547 1.00 0.00 C ATOM 0 H ALA A 38 8.055 0.769 1.090 1.00 0.00 H new ATOM 0 HA ALA A 38 8.339 -1.207 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.340 -2.303 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.894 -2.652 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.089 -1.464 0.667 1.00 0.00 H new ATOM 483 N TRP A 39 10.691 -0.067 3.668 1.00 0.00 N ATOM 484 CA TRP A 39 11.671 0.866 4.204 1.00 0.00 C ATOM 485 C TRP A 39 12.758 1.134 3.171 1.00 0.00 C ATOM 486 O TRP A 39 13.403 0.205 2.681 1.00 0.00 O ATOM 487 CB TRP A 39 12.281 0.314 5.496 1.00 0.00 C ATOM 488 CG TRP A 39 11.333 0.329 6.659 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.182 -0.397 6.789 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.455 1.100 7.858 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.577 -0.113 7.989 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.340 0.800 8.665 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.394 2.022 8.328 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.142 1.385 9.911 1.00 0.00 C ATOM 495 CZ3 TRP A 39 12.200 2.597 9.568 1.00 0.00 C ATOM 496 CH2 TRP A 39 11.081 2.277 10.347 1.00 0.00 C ATOM 0 H TRP A 39 10.752 -1.009 4.053 1.00 0.00 H new ATOM 0 HA TRP A 39 11.171 1.807 4.435 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.615 -0.709 5.323 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.165 0.899 5.750 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.803 -1.093 6.055 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.702 -0.517 8.322 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.257 2.280 7.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.278 1.143 10.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.923 3.306 9.944 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.958 2.745 11.312 1.00 0.00 H new ATOM 507 N VAL A 40 12.939 2.399 2.824 1.00 0.00 N ATOM 508 CA VAL A 40 13.942 2.784 1.842 1.00 0.00 C ATOM 509 C VAL A 40 15.130 3.469 2.523 1.00 0.00 C ATOM 510 O VAL A 40 16.263 3.392 2.045 1.00 0.00 O ATOM 511 CB VAL A 40 13.335 3.705 0.750 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.799 4.995 1.352 1.00 0.00 C ATOM 513 CG2 VAL A 40 14.351 3.997 -0.349 1.00 0.00 C ATOM 0 H VAL A 40 12.404 3.178 3.208 1.00 0.00 H new ATOM 0 HA VAL A 40 14.298 1.876 1.355 1.00 0.00 H new ATOM 0 HB VAL A 40 12.496 3.174 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.381 5.619 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.022 4.761 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.610 5.530 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.898 4.644 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.220 4.494 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.661 3.062 -0.815 1.00 0.00 H new ATOM 523 N ASP A 41 14.869 4.110 3.656 1.00 0.00 N ATOM 524 CA ASP A 41 15.911 4.800 4.412 1.00 0.00 C ATOM 525 C ASP A 41 15.592 4.730 5.898 1.00 0.00 C ATOM 526 O ASP A 41 14.528 4.235 6.275 1.00 0.00 O ATOM 527 CB ASP A 41 16.036 6.262 3.964 1.00 0.00 C ATOM 528 CG ASP A 41 17.280 6.941 4.507 1.00 0.00 C ATOM 529 OD1 ASP A 41 18.336 6.281 4.572 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.205 8.134 4.876 1.00 0.00 O ATOM 0 H ASP A 41 13.940 4.167 4.074 1.00 0.00 H new ATOM 0 HA ASP A 41 16.865 4.308 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.052 6.303 2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.155 6.814 4.291 1.00 0.00 H new ATOM 535 N THR A 42 16.497 5.226 6.734 1.00 0.00 N ATOM 536 CA THR A 42 16.306 5.213 8.175 1.00 0.00 C ATOM 537 C THR A 42 15.066 6.009 8.584 1.00 0.00 C ATOM 538 O THR A 42 15.093 7.239 8.640 1.00 0.00 O ATOM 539 CB THR A 42 17.544 5.776 8.894 1.00 0.00 C ATOM 540 OG1 THR A 42 18.172 6.776 8.075 1.00 0.00 O ATOM 541 CG2 THR A 42 18.537 4.668 9.196 1.00 0.00 C ATOM 0 H THR A 42 17.377 5.645 6.433 1.00 0.00 H new ATOM 0 HA THR A 42 16.161 4.174 8.472 1.00 0.00 H new ATOM 0 HB THR A 42 17.223 6.224 9.834 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.959 7.132 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 42 19.406 5.086 9.705 1.00 0.00 H new ATOM 0 HG22 THR A 42 18.066 3.922 9.836 1.00 0.00 H new ATOM 0 HG23 THR A 42 18.853 4.199 8.264 1.00 0.00 H new ATOM 549 N GLY A 43 13.975 5.296 8.841 1.00 0.00 N ATOM 550 CA GLY A 43 12.739 5.941 9.235 1.00 0.00 C ATOM 551 C GLY A 43 11.947 6.454 8.049 1.00 0.00 C ATOM 552 O GLY A 43 10.980 7.193 8.214 1.00 0.00 O ATOM 0 H GLY A 43 13.926 4.279 8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.128 5.235 9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.964 6.772 9.904 1.00 0.00 H new ATOM 556 N VAL A 44 12.357 6.067 6.847 1.00 0.00 N ATOM 557 CA VAL A 44 11.675 6.505 5.639 1.00 0.00 C ATOM 558 C VAL A 44 11.184 5.317 4.827 1.00 0.00 C ATOM 559 O VAL A 44 11.950 4.404 4.506 1.00 0.00 O ATOM 560 CB VAL A 44 12.585 7.367 4.740 1.00 0.00 C ATOM 561 CG1 VAL A 44 11.770 8.057 3.655 1.00 0.00 C ATOM 562 CG2 VAL A 44 13.352 8.392 5.559 1.00 0.00 C ATOM 0 H VAL A 44 13.155 5.453 6.685 1.00 0.00 H new ATOM 0 HA VAL A 44 10.828 7.107 5.969 1.00 0.00 H new ATOM 0 HB VAL A 44 13.308 6.705 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.430 8.660 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.275 7.306 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.020 8.699 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.985 8.985 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.649 9.047 6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.973 7.880 6.294 1.00 0.00 H new ATOM 572 N LEU A 45 9.905 5.332 4.503 1.00 0.00 N ATOM 573 CA LEU A 45 9.304 4.283 3.706 1.00 0.00 C ATOM 574 C LEU A 45 8.906 4.860 2.359 1.00 0.00 C ATOM 575 O LEU A 45 8.942 6.075 2.172 1.00 0.00 O ATOM 576 CB LEU A 45 8.079 3.692 4.408 1.00 0.00 C ATOM 577 CG LEU A 45 8.363 2.970 5.728 1.00 0.00 C ATOM 578 CD1 LEU A 45 8.144 3.901 6.911 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.487 1.735 5.850 1.00 0.00 C ATOM 0 H LEU A 45 9.257 6.068 4.784 1.00 0.00 H new ATOM 0 HA LEU A 45 10.028 3.480 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.368 4.496 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.594 2.992 3.728 1.00 0.00 H new ATOM 0 HG LEU A 45 9.407 2.658 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.352 3.366 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.813 4.758 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.110 4.247 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.699 1.231 6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.438 2.029 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.695 1.058 5.022 1.00 0.00 H new ATOM 591 N ALA A 46 8.534 4.004 1.423 1.00 0.00 N ATOM 592 CA ALA A 46 8.140 4.463 0.102 1.00 0.00 C ATOM 593 C ALA A 46 7.331 3.401 -0.632 1.00 0.00 C ATOM 594 O ALA A 46 7.644 2.214 -0.549 1.00 0.00 O ATOM 595 CB ALA A 46 9.377 4.842 -0.690 1.00 0.00 C ATOM 0 H ALA A 46 8.496 2.993 1.552 1.00 0.00 H new ATOM 0 HA ALA A 46 7.502 5.340 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.083 5.187 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.910 5.639 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.028 3.973 -0.786 1.00 0.00 H new ATOM 601 N CYS A 47 6.287 3.834 -1.335 1.00 0.00 N ATOM 602 CA CYS A 47 5.423 2.919 -2.083 1.00 0.00 C ATOM 603 C CYS A 47 5.741 2.957 -3.573 1.00 0.00 C ATOM 604 O CYS A 47 6.364 3.900 -4.061 1.00 0.00 O ATOM 605 CB CYS A 47 3.945 3.275 -1.885 1.00 0.00 C ATOM 606 SG CYS A 47 3.399 3.336 -0.148 1.00 0.00 S ATOM 0 H CYS A 47 6.017 4.815 -1.403 1.00 0.00 H new ATOM 0 HA CYS A 47 5.611 1.916 -1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.755 4.245 -2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.336 2.545 -2.417 1.00 0.00 H new ATOM 611 N ASN A 48 5.310 1.927 -4.284 1.00 0.00 N ATOM 612 CA ASN A 48 5.525 1.848 -5.722 1.00 0.00 C ATOM 613 C ASN A 48 4.323 2.417 -6.465 1.00 0.00 C ATOM 614 O ASN A 48 3.209 1.906 -6.341 1.00 0.00 O ATOM 615 CB ASN A 48 5.758 0.400 -6.149 1.00 0.00 C ATOM 616 CG ASN A 48 5.825 0.246 -7.653 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.838 -0.111 -8.292 1.00 0.00 O ATOM 618 ND2 ASN A 48 6.977 0.537 -8.232 1.00 0.00 N ATOM 0 H ASN A 48 4.808 1.132 -3.889 1.00 0.00 H new ATOM 0 HA ASN A 48 6.409 2.435 -5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.687 0.039 -5.708 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.955 -0.225 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.070 0.469 -9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.773 0.830 -7.665 1.00 0.00 H new ATOM 625 N PRO A 49 4.531 3.486 -7.247 1.00 0.00 N ATOM 626 CA PRO A 49 3.469 4.137 -8.009 1.00 0.00 C ATOM 627 C PRO A 49 3.284 3.538 -9.400 1.00 0.00 C ATOM 628 O PRO A 49 2.844 4.218 -10.327 1.00 0.00 O ATOM 629 CB PRO A 49 3.986 5.565 -8.114 1.00 0.00 C ATOM 630 CG PRO A 49 5.462 5.395 -8.248 1.00 0.00 C ATOM 631 CD PRO A 49 5.823 4.173 -7.437 1.00 0.00 C ATOM 0 HA PRO A 49 2.493 4.034 -7.535 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.562 6.082 -8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.728 6.151 -7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.745 5.266 -9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.990 6.275 -7.881 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.539 3.541 -7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.276 4.445 -6.484 1.00 0.00 H new ATOM 639 N ALA A 50 3.625 2.270 -9.552 1.00 0.00 N ATOM 640 CA ALA A 50 3.485 1.609 -10.837 1.00 0.00 C ATOM 641 C ALA A 50 2.416 0.526 -10.774 1.00 0.00 C ATOM 642 O ALA A 50 1.515 0.491 -11.607 1.00 0.00 O ATOM 643 CB ALA A 50 4.817 1.030 -11.291 1.00 0.00 C ATOM 0 H ALA A 50 3.998 1.681 -8.807 1.00 0.00 H new ATOM 0 HA ALA A 50 3.170 2.352 -11.570 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.690 0.539 -12.256 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.549 1.832 -11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.167 0.304 -10.557 1.00 0.00 H new ATOM 649 N ASP A 51 2.504 -0.342 -9.772 1.00 0.00 N ATOM 650 CA ASP A 51 1.539 -1.427 -9.613 1.00 0.00 C ATOM 651 C ASP A 51 0.528 -1.117 -8.517 1.00 0.00 C ATOM 652 O ASP A 51 -0.075 -2.020 -7.932 1.00 0.00 O ATOM 653 CB ASP A 51 2.256 -2.744 -9.311 1.00 0.00 C ATOM 654 CG ASP A 51 2.046 -3.770 -10.403 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.878 -4.052 -10.744 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.047 -4.292 -10.940 1.00 0.00 O ATOM 0 H ASP A 51 3.232 -0.317 -9.058 1.00 0.00 H new ATOM 0 HA ASP A 51 0.997 -1.526 -10.554 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.323 -2.556 -9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.894 -3.144 -8.364 1.00 0.00 H new ATOM 661 N PHE A 52 0.335 0.166 -8.250 1.00 0.00 N ATOM 662 CA PHE A 52 -0.616 0.602 -7.236 1.00 0.00 C ATOM 663 C PHE A 52 -2.003 0.738 -7.854 1.00 0.00 C ATOM 664 O PHE A 52 -2.151 0.693 -9.077 1.00 0.00 O ATOM 665 CB PHE A 52 -0.185 1.937 -6.618 1.00 0.00 C ATOM 666 CG PHE A 52 -0.580 3.147 -7.428 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.057 3.436 -8.624 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.590 3.992 -6.992 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.303 4.543 -9.367 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.953 5.100 -7.732 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.309 5.377 -8.920 1.00 0.00 C ATOM 0 H PHE A 52 0.825 0.926 -8.722 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.643 -0.147 -6.445 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.621 2.022 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.898 1.934 -6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.844 2.788 -8.979 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.098 3.781 -6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.202 4.757 -10.297 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.741 5.750 -7.381 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.591 6.244 -9.499 1.00 0.00 H new ATOM 681 N SER A 53 -3.018 0.903 -7.018 1.00 0.00 N ATOM 682 CA SER A 53 -4.381 1.051 -7.505 1.00 0.00 C ATOM 683 C SER A 53 -5.233 1.827 -6.505 1.00 0.00 C ATOM 684 O SER A 53 -5.674 1.276 -5.492 1.00 0.00 O ATOM 685 CB SER A 53 -5.006 -0.326 -7.779 1.00 0.00 C ATOM 686 OG SER A 53 -4.248 -1.065 -8.732 1.00 0.00 O ATOM 0 H SER A 53 -2.924 0.938 -6.003 1.00 0.00 H new ATOM 0 HA SER A 53 -4.349 1.613 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.070 -0.889 -6.848 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.025 -0.198 -8.144 1.00 0.00 H new ATOM 0 HG SER A 53 -3.522 -0.505 -9.078 1.00 0.00 H new ATOM 692 N SER A 54 -5.448 3.108 -6.786 1.00 0.00 N ATOM 693 CA SER A 54 -6.251 3.953 -5.917 1.00 0.00 C ATOM 694 C SER A 54 -7.716 3.539 -6.012 1.00 0.00 C ATOM 695 O SER A 54 -8.287 3.497 -7.098 1.00 0.00 O ATOM 696 CB SER A 54 -6.087 5.420 -6.314 1.00 0.00 C ATOM 697 OG SER A 54 -4.974 5.586 -7.176 1.00 0.00 O ATOM 0 H SER A 54 -5.076 3.581 -7.609 1.00 0.00 H new ATOM 0 HA SER A 54 -5.914 3.833 -4.887 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.992 5.771 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.955 6.031 -5.421 1.00 0.00 H new ATOM 0 HG SER A 54 -4.887 6.531 -7.420 1.00 0.00 H new ATOM 703 N VAL A 55 -8.312 3.215 -4.882 1.00 0.00 N ATOM 704 CA VAL A 55 -9.699 2.793 -4.857 1.00 0.00 C ATOM 705 C VAL A 55 -10.571 3.861 -4.209 1.00 0.00 C ATOM 706 O VAL A 55 -10.202 4.445 -3.190 1.00 0.00 O ATOM 707 CB VAL A 55 -9.863 1.443 -4.116 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.328 1.525 -2.693 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.319 0.992 -4.122 1.00 0.00 C ATOM 0 H VAL A 55 -7.858 3.236 -3.969 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.023 2.653 -5.888 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.274 0.698 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.458 0.562 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.269 1.781 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.874 2.291 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.408 0.042 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.934 1.741 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.658 0.870 -5.151 1.00 0.00 H new ATOM 719 N THR A 56 -11.707 4.134 -4.826 1.00 0.00 N ATOM 720 CA THR A 56 -12.630 5.124 -4.311 1.00 0.00 C ATOM 721 C THR A 56 -13.684 4.448 -3.434 1.00 0.00 C ATOM 722 O THR A 56 -14.141 3.342 -3.735 1.00 0.00 O ATOM 723 CB THR A 56 -13.298 5.919 -5.466 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.838 7.153 -4.975 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.401 5.116 -6.147 1.00 0.00 C ATOM 0 H THR A 56 -12.011 3.681 -5.688 1.00 0.00 H new ATOM 0 HA THR A 56 -12.072 5.835 -3.702 1.00 0.00 H new ATOM 0 HB THR A 56 -12.524 6.124 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.254 7.645 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.841 5.709 -6.948 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.981 4.200 -6.562 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.171 4.864 -5.418 1.00 0.00 H new ATOM 733 N ALA A 57 -14.033 5.084 -2.329 1.00 0.00 N ATOM 734 CA ALA A 57 -15.033 4.535 -1.425 1.00 0.00 C ATOM 735 C ALA A 57 -16.425 4.679 -2.023 1.00 0.00 C ATOM 736 O ALA A 57 -16.833 5.780 -2.407 1.00 0.00 O ATOM 737 CB ALA A 57 -14.957 5.220 -0.070 1.00 0.00 C ATOM 0 H ALA A 57 -13.641 5.979 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.829 3.474 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.711 4.798 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.968 5.066 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.138 6.288 -0.192 1.00 0.00 H new ATOM 743 N ASP A 58 -17.146 3.567 -2.099 1.00 0.00 N ATOM 744 CA ASP A 58 -18.492 3.558 -2.666 1.00 0.00 C ATOM 745 C ASP A 58 -19.493 4.251 -1.743 1.00 0.00 C ATOM 746 O ASP A 58 -19.129 4.771 -0.686 1.00 0.00 O ATOM 747 CB ASP A 58 -18.955 2.121 -2.966 1.00 0.00 C ATOM 748 CG ASP A 58 -18.830 1.177 -1.781 1.00 0.00 C ATOM 749 OD1 ASP A 58 -19.113 1.598 -0.644 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.455 0.006 -1.986 1.00 0.00 O ATOM 0 H ASP A 58 -16.821 2.656 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.452 4.114 -3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.995 2.145 -3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.370 1.726 -3.797 1.00 0.00 H new ATOM 755 N ALA A 59 -20.758 4.248 -2.153 1.00 0.00 N ATOM 756 CA ALA A 59 -21.831 4.878 -1.387 1.00 0.00 C ATOM 757 C ALA A 59 -22.118 4.125 -0.092 1.00 0.00 C ATOM 758 O ALA A 59 -22.815 4.629 0.791 1.00 0.00 O ATOM 759 CB ALA A 59 -23.095 4.964 -2.225 1.00 0.00 C ATOM 0 H ALA A 59 -21.068 3.811 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.500 5.883 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.886 5.435 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.900 5.557 -3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.407 3.961 -2.517 1.00 0.00 H new ATOM 765 N ASN A 60 -21.592 2.915 0.015 1.00 0.00 N ATOM 766 CA ASN A 60 -21.786 2.099 1.204 1.00 0.00 C ATOM 767 C ASN A 60 -20.708 2.422 2.221 1.00 0.00 C ATOM 768 O ASN A 60 -20.913 2.299 3.429 1.00 0.00 O ATOM 769 CB ASN A 60 -21.735 0.607 0.854 1.00 0.00 C ATOM 770 CG ASN A 60 -22.802 0.191 -0.142 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.897 0.750 -0.166 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.490 -0.798 -0.971 1.00 0.00 N ATOM 0 H ASN A 60 -21.025 2.475 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.767 2.322 1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.753 0.369 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.851 0.022 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.170 -1.120 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.570 -1.236 -0.919 1.00 0.00 H new ATOM 779 N GLY A 61 -19.557 2.844 1.717 1.00 0.00 N ATOM 780 CA GLY A 61 -18.442 3.175 2.576 1.00 0.00 C ATOM 781 C GLY A 61 -17.413 2.067 2.583 1.00 0.00 C ATOM 782 O GLY A 61 -16.714 1.855 3.577 1.00 0.00 O ATOM 0 H GLY A 61 -19.376 2.963 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.980 4.102 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.800 3.350 3.591 1.00 0.00 H new ATOM 786 N SER A 62 -17.323 1.362 1.464 1.00 0.00 N ATOM 787 CA SER A 62 -16.384 0.259 1.318 1.00 0.00 C ATOM 788 C SER A 62 -15.411 0.517 0.167 1.00 0.00 C ATOM 789 O SER A 62 -15.696 1.308 -0.735 1.00 0.00 O ATOM 790 CB SER A 62 -17.156 -1.044 1.079 1.00 0.00 C ATOM 791 OG SER A 62 -18.557 -0.803 1.039 1.00 0.00 O ATOM 0 H SER A 62 -17.894 1.537 0.637 1.00 0.00 H new ATOM 0 HA SER A 62 -15.802 0.172 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.834 -1.496 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.928 -1.757 1.871 1.00 0.00 H new ATOM 0 HG SER A 62 -18.840 -0.670 0.110 1.00 0.00 H new ATOM 797 N ALA A 63 -14.255 -0.136 0.220 1.00 0.00 N ATOM 798 CA ALA A 63 -13.240 0.001 -0.816 1.00 0.00 C ATOM 799 C ALA A 63 -12.445 -1.293 -0.959 1.00 0.00 C ATOM 800 O ALA A 63 -11.779 -1.726 -0.020 1.00 0.00 O ATOM 801 CB ALA A 63 -12.312 1.164 -0.495 1.00 0.00 C ATOM 0 H ALA A 63 -13.997 -0.770 0.976 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.737 0.205 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.558 1.255 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.890 2.086 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.822 0.985 0.462 1.00 0.00 H new ATOM 807 N SER A 64 -12.522 -1.913 -2.130 1.00 0.00 N ATOM 808 CA SER A 64 -11.813 -3.159 -2.383 1.00 0.00 C ATOM 809 C SER A 64 -10.823 -2.991 -3.536 1.00 0.00 C ATOM 810 O SER A 64 -11.178 -2.486 -4.603 1.00 0.00 O ATOM 811 CB SER A 64 -12.816 -4.278 -2.696 1.00 0.00 C ATOM 812 OG SER A 64 -12.418 -5.507 -2.114 1.00 0.00 O ATOM 0 H SER A 64 -13.070 -1.572 -2.920 1.00 0.00 H new ATOM 0 HA SER A 64 -11.251 -3.429 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.802 -4.000 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.905 -4.397 -3.776 1.00 0.00 H new ATOM 0 HG SER A 64 -13.077 -6.200 -2.329 1.00 0.00 H new ATOM 818 N THR A 65 -9.582 -3.404 -3.318 1.00 0.00 N ATOM 819 CA THR A 65 -8.553 -3.296 -4.337 1.00 0.00 C ATOM 820 C THR A 65 -7.527 -4.420 -4.180 1.00 0.00 C ATOM 821 O THR A 65 -7.407 -5.015 -3.107 1.00 0.00 O ATOM 822 CB THR A 65 -7.854 -1.914 -4.273 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.052 -1.695 -5.445 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.987 -1.793 -3.027 1.00 0.00 C ATOM 0 H THR A 65 -9.265 -3.818 -2.441 1.00 0.00 H new ATOM 0 HA THR A 65 -9.030 -3.391 -5.313 1.00 0.00 H new ATOM 0 HB THR A 65 -8.634 -1.154 -4.228 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.704 -0.779 -5.437 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.510 -0.813 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.608 -1.910 -2.139 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.222 -2.569 -3.039 1.00 0.00 H new ATOM 832 N SER A 66 -6.821 -4.727 -5.255 1.00 0.00 N ATOM 833 CA SER A 66 -5.810 -5.771 -5.237 1.00 0.00 C ATOM 834 C SER A 66 -4.498 -5.228 -5.811 1.00 0.00 C ATOM 835 O SER A 66 -4.464 -4.740 -6.941 1.00 0.00 O ATOM 836 CB SER A 66 -6.306 -6.978 -6.035 1.00 0.00 C ATOM 837 OG SER A 66 -7.712 -7.144 -5.892 1.00 0.00 O ATOM 0 H SER A 66 -6.931 -4.264 -6.157 1.00 0.00 H new ATOM 0 HA SER A 66 -5.626 -6.091 -4.211 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.057 -6.849 -7.088 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.794 -7.878 -5.695 1.00 0.00 H new ATOM 0 HG SER A 66 -8.004 -7.921 -6.413 1.00 0.00 H new ATOM 843 N LEU A 67 -3.424 -5.304 -5.032 1.00 0.00 N ATOM 844 CA LEU A 67 -2.130 -4.774 -5.463 1.00 0.00 C ATOM 845 C LEU A 67 -1.118 -5.883 -5.704 1.00 0.00 C ATOM 846 O LEU A 67 -0.943 -6.765 -4.864 1.00 0.00 O ATOM 847 CB LEU A 67 -1.555 -3.810 -4.417 1.00 0.00 C ATOM 848 CG LEU A 67 -2.434 -2.611 -4.032 1.00 0.00 C ATOM 849 CD1 LEU A 67 -3.148 -2.047 -5.250 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.435 -2.999 -2.947 1.00 0.00 C ATOM 0 H LEU A 67 -3.421 -5.725 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.308 -4.244 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.338 -4.378 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.604 -3.430 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.785 -1.832 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.764 -1.199 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.412 -1.719 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.781 -2.818 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.047 -2.134 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.076 -3.801 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.898 -3.339 -2.062 1.00 0.00 H new ATOM 862 N THR A 68 -0.447 -5.824 -6.841 1.00 0.00 N ATOM 863 CA THR A 68 0.570 -6.802 -7.187 1.00 0.00 C ATOM 864 C THR A 68 1.888 -6.434 -6.508 1.00 0.00 C ATOM 865 O THR A 68 2.523 -5.441 -6.862 1.00 0.00 O ATOM 866 CB THR A 68 0.766 -6.868 -8.712 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.189 -6.011 -9.358 1.00 0.00 O ATOM 868 CG2 THR A 68 0.601 -8.295 -9.226 1.00 0.00 C ATOM 0 H THR A 68 -0.590 -5.102 -7.547 1.00 0.00 H new ATOM 0 HA THR A 68 0.244 -7.782 -6.840 1.00 0.00 H new ATOM 0 HB THR A 68 1.778 -6.535 -8.942 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.228 -5.584 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.745 -8.311 -10.306 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.340 -8.940 -8.752 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.400 -8.654 -8.988 1.00 0.00 H new ATOM 876 N VAL A 69 2.297 -7.228 -5.529 1.00 0.00 N ATOM 877 CA VAL A 69 3.522 -6.944 -4.796 1.00 0.00 C ATOM 878 C VAL A 69 4.758 -7.516 -5.492 1.00 0.00 C ATOM 879 O VAL A 69 4.904 -8.729 -5.653 1.00 0.00 O ATOM 880 CB VAL A 69 3.444 -7.451 -3.329 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.189 -8.953 -3.255 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.708 -7.078 -2.562 1.00 0.00 C ATOM 0 H VAL A 69 1.803 -8.067 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 69 3.623 -5.859 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 69 2.593 -6.956 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.142 -9.263 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.244 -9.186 -3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.998 -9.485 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.633 -7.442 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.574 -7.531 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.822 -5.994 -2.554 1.00 0.00 H new ATOM 892 N ARG A 70 5.629 -6.621 -5.938 1.00 0.00 N ATOM 893 CA ARG A 70 6.873 -7.013 -6.587 1.00 0.00 C ATOM 894 C ARG A 70 7.974 -7.088 -5.536 1.00 0.00 C ATOM 895 O ARG A 70 7.822 -6.543 -4.442 1.00 0.00 O ATOM 896 CB ARG A 70 7.262 -6.007 -7.677 1.00 0.00 C ATOM 897 CG ARG A 70 6.123 -5.650 -8.620 1.00 0.00 C ATOM 898 CD ARG A 70 5.664 -6.853 -9.417 1.00 0.00 C ATOM 899 NE ARG A 70 4.515 -6.540 -10.266 1.00 0.00 N ATOM 900 CZ ARG A 70 3.875 -7.436 -11.015 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.281 -8.704 -11.044 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.823 -7.061 -11.731 1.00 0.00 N ATOM 0 H ARG A 70 5.496 -5.613 -5.862 1.00 0.00 H new ATOM 0 HA ARG A 70 6.737 -7.986 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.628 -5.096 -7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.087 -6.417 -8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.286 -5.251 -8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.446 -4.863 -9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.486 -7.213 -10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.401 -7.662 -8.735 1.00 0.00 H new ATOM 0 HE ARG A 70 4.183 -5.576 -10.286 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.087 -8.994 -10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.786 -9.385 -11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.509 -6.091 -11.706 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.329 -7.743 -12.307 1.00 0.00 H new ATOM 916 N ARG A 71 9.076 -7.748 -5.862 1.00 0.00 N ATOM 917 CA ARG A 71 10.185 -7.884 -4.924 1.00 0.00 C ATOM 918 C ARG A 71 11.075 -6.642 -4.959 1.00 0.00 C ATOM 919 O ARG A 71 11.559 -6.183 -3.925 1.00 0.00 O ATOM 920 CB ARG A 71 11.009 -9.137 -5.231 1.00 0.00 C ATOM 921 CG ARG A 71 11.805 -9.641 -4.040 1.00 0.00 C ATOM 922 CD ARG A 71 11.668 -11.142 -3.882 1.00 0.00 C ATOM 923 NE ARG A 71 12.010 -11.583 -2.531 1.00 0.00 N ATOM 924 CZ ARG A 71 12.304 -12.842 -2.214 1.00 0.00 C ATOM 925 NH1 ARG A 71 12.293 -13.784 -3.149 1.00 0.00 N ATOM 926 NH2 ARG A 71 12.599 -13.159 -0.959 1.00 0.00 N ATOM 0 H ARG A 71 9.228 -8.197 -6.765 1.00 0.00 H new ATOM 0 HA ARG A 71 9.768 -7.985 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.341 -9.927 -5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.694 -8.921 -6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.856 -9.381 -4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.460 -9.145 -3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.645 -11.439 -4.112 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.315 -11.643 -4.602 1.00 0.00 H new ATOM 0 HE ARG A 71 12.024 -10.885 -1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.059 -13.544 -4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.519 -14.748 -2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.600 -12.438 -0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.824 -14.124 -0.716 1.00 0.00 H new ATOM 940 N SER A 72 11.291 -6.111 -6.150 1.00 0.00 N ATOM 941 CA SER A 72 12.107 -4.917 -6.324 1.00 0.00 C ATOM 942 C SER A 72 11.277 -3.839 -7.011 1.00 0.00 C ATOM 943 O SER A 72 10.593 -4.114 -8.000 1.00 0.00 O ATOM 944 CB SER A 72 13.358 -5.256 -7.140 1.00 0.00 C ATOM 945 OG SER A 72 14.003 -6.414 -6.622 1.00 0.00 O ATOM 0 H SER A 72 10.911 -6.489 -7.018 1.00 0.00 H new ATOM 0 HA SER A 72 12.431 -4.542 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.084 -5.423 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.048 -4.412 -7.123 1.00 0.00 H new ATOM 0 HG SER A 72 14.479 -6.182 -5.797 1.00 0.00 H new ATOM 951 N PHE A 73 11.313 -2.620 -6.480 1.00 0.00 N ATOM 952 CA PHE A 73 10.527 -1.526 -7.045 1.00 0.00 C ATOM 953 C PHE A 73 11.066 -0.162 -6.631 1.00 0.00 C ATOM 954 O PHE A 73 11.882 -0.055 -5.717 1.00 0.00 O ATOM 955 CB PHE A 73 9.068 -1.647 -6.588 1.00 0.00 C ATOM 956 CG PHE A 73 8.892 -1.574 -5.090 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.010 -2.711 -4.310 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.609 -0.366 -4.466 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.850 -2.649 -2.940 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.446 -0.299 -3.096 1.00 0.00 C ATOM 961 CZ PHE A 73 8.568 -1.442 -2.332 1.00 0.00 C ATOM 0 H PHE A 73 11.873 -2.365 -5.666 1.00 0.00 H new ATOM 0 HA PHE A 73 10.595 -1.602 -8.130 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.484 -0.852 -7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.662 -2.593 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.230 -3.659 -4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.515 0.532 -5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.945 -3.545 -2.344 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.223 0.646 -2.623 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.443 -1.392 -1.260 1.00 0.00 H new ATOM 971 N GLU A 74 10.605 0.877 -7.311 1.00 0.00 N ATOM 972 CA GLU A 74 10.999 2.236 -6.987 1.00 0.00 C ATOM 973 C GLU A 74 10.124 2.754 -5.853 1.00 0.00 C ATOM 974 O GLU A 74 8.923 2.481 -5.815 1.00 0.00 O ATOM 975 CB GLU A 74 10.864 3.150 -8.207 1.00 0.00 C ATOM 976 CG GLU A 74 11.297 2.498 -9.509 1.00 0.00 C ATOM 977 CD GLU A 74 10.137 1.903 -10.279 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.494 0.961 -9.766 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.865 2.380 -11.400 1.00 0.00 O ATOM 0 H GLU A 74 9.955 0.802 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 74 12.044 2.235 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.826 3.469 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.460 4.048 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.799 3.238 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.025 1.715 -9.294 1.00 0.00 H new ATOM 986 N GLY A 75 10.722 3.491 -4.938 1.00 0.00 N ATOM 987 CA GLY A 75 9.976 4.006 -3.811 1.00 0.00 C ATOM 988 C GLY A 75 9.636 5.475 -3.946 1.00 0.00 C ATOM 989 O GLY A 75 10.507 6.304 -4.240 1.00 0.00 O ATOM 0 H GLY A 75 11.710 3.743 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.054 3.434 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.555 3.855 -2.900 1.00 0.00 H new ATOM 993 N PHE A 76 8.372 5.800 -3.708 1.00 0.00 N ATOM 994 CA PHE A 76 7.901 7.168 -3.796 1.00 0.00 C ATOM 995 C PHE A 76 7.214 7.550 -2.496 1.00 0.00 C ATOM 996 O PHE A 76 6.559 6.718 -1.863 1.00 0.00 O ATOM 997 CB PHE A 76 6.921 7.331 -4.965 1.00 0.00 C ATOM 998 CG PHE A 76 7.569 7.472 -6.318 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.401 6.483 -6.816 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.329 8.592 -7.097 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.983 6.608 -8.063 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.907 8.722 -8.346 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.736 7.729 -8.830 1.00 0.00 C ATOM 0 H PHE A 76 7.652 5.125 -3.451 1.00 0.00 H new ATOM 0 HA PHE A 76 8.756 7.822 -3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.255 6.469 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.301 8.209 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.597 5.603 -6.222 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.683 9.373 -6.724 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.631 5.829 -8.437 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.710 9.600 -8.943 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.189 7.829 -9.805 1.00 0.00 H new ATOM 1013 N LEU A 77 7.388 8.798 -2.087 1.00 0.00 N ATOM 1014 CA LEU A 77 6.774 9.292 -0.865 1.00 0.00 C ATOM 1015 C LEU A 77 5.306 9.615 -1.128 1.00 0.00 C ATOM 1016 O LEU A 77 4.866 9.607 -2.278 1.00 0.00 O ATOM 1017 CB LEU A 77 7.500 10.544 -0.356 1.00 0.00 C ATOM 1018 CG LEU A 77 9.023 10.433 -0.260 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.611 11.747 0.223 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.425 9.295 0.667 1.00 0.00 C ATOM 0 H LEU A 77 7.951 9.488 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 77 6.849 8.519 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.255 11.377 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.109 10.793 0.631 1.00 0.00 H new ATOM 0 HG LEU A 77 9.418 10.215 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.695 11.658 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.353 12.541 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.207 11.987 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.512 9.235 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.023 9.478 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.028 8.355 0.283 1.00 0.00 H new ATOM 1032 N PHE A 78 4.555 9.918 -0.078 1.00 0.00 N ATOM 1033 CA PHE A 78 3.140 10.244 -0.225 1.00 0.00 C ATOM 1034 C PHE A 78 2.971 11.562 -0.968 1.00 0.00 C ATOM 1035 O PHE A 78 1.974 11.774 -1.662 1.00 0.00 O ATOM 1036 CB PHE A 78 2.458 10.317 1.140 1.00 0.00 C ATOM 1037 CG PHE A 78 2.036 8.977 1.670 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.191 8.159 0.933 1.00 0.00 C ATOM 1039 CD2 PHE A 78 2.482 8.534 2.902 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.802 6.925 1.418 1.00 0.00 C ATOM 1041 CE2 PHE A 78 2.094 7.301 3.392 1.00 0.00 C ATOM 1042 CZ PHE A 78 1.252 6.496 2.649 1.00 0.00 C ATOM 0 H PHE A 78 4.899 9.945 0.882 1.00 0.00 H new ATOM 0 HA PHE A 78 2.667 9.452 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.138 10.783 1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.582 10.962 1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.833 8.491 -0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.141 9.158 3.488 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.146 6.297 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.449 6.967 4.356 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.947 5.533 3.031 1.00 0.00 H new ATOM 1052 N ASP A 79 3.952 12.442 -0.824 1.00 0.00 N ATOM 1053 CA ASP A 79 3.916 13.735 -1.492 1.00 0.00 C ATOM 1054 C ASP A 79 4.126 13.570 -2.998 1.00 0.00 C ATOM 1055 O ASP A 79 3.686 14.404 -3.786 1.00 0.00 O ATOM 1056 CB ASP A 79 4.970 14.679 -0.900 1.00 0.00 C ATOM 1057 CG ASP A 79 6.118 14.957 -1.850 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.043 14.125 -1.925 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.102 16.003 -2.531 1.00 0.00 O ATOM 0 H ASP A 79 4.781 12.284 -0.251 1.00 0.00 H new ATOM 0 HA ASP A 79 2.932 14.176 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.494 15.621 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.363 14.244 0.019 1.00 0.00 H new ATOM 1064 N GLY A 80 4.795 12.488 -3.390 1.00 0.00 N ATOM 1065 CA GLY A 80 5.028 12.232 -4.799 1.00 0.00 C ATOM 1066 C GLY A 80 6.501 12.142 -5.162 1.00 0.00 C ATOM 1067 O GLY A 80 6.851 11.611 -6.216 1.00 0.00 O ATOM 0 H GLY A 80 5.179 11.786 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.536 11.300 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.565 13.025 -5.386 1.00 0.00 H new ATOM 1071 N THR A 81 7.368 12.650 -4.293 1.00 0.00 N ATOM 1072 CA THR A 81 8.803 12.629 -4.553 1.00 0.00 C ATOM 1073 C THR A 81 9.379 11.225 -4.385 1.00 0.00 C ATOM 1074 O THR A 81 9.060 10.520 -3.425 1.00 0.00 O ATOM 1075 CB THR A 81 9.556 13.593 -3.613 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.924 14.876 -3.617 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.008 13.748 -4.032 1.00 0.00 C ATOM 0 H THR A 81 7.104 13.080 -3.406 1.00 0.00 H new ATOM 0 HA THR A 81 8.939 12.951 -5.585 1.00 0.00 H new ATOM 0 HB THR A 81 9.527 13.170 -2.609 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.350 14.960 -2.827 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.512 14.433 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.501 12.777 -4.001 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.054 14.146 -5.046 1.00 0.00 H new ATOM 1085 N ARG A 82 10.207 10.813 -5.335 1.00 0.00 N ATOM 1086 CA ARG A 82 10.846 9.505 -5.274 1.00 0.00 C ATOM 1087 C ARG A 82 12.053 9.557 -4.347 1.00 0.00 C ATOM 1088 O ARG A 82 12.786 10.546 -4.323 1.00 0.00 O ATOM 1089 CB ARG A 82 11.278 9.040 -6.674 1.00 0.00 C ATOM 1090 CG ARG A 82 12.362 9.897 -7.313 1.00 0.00 C ATOM 1091 CD ARG A 82 13.733 9.242 -7.221 1.00 0.00 C ATOM 1092 NE ARG A 82 13.846 8.078 -8.102 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.986 7.427 -8.342 1.00 0.00 C ATOM 1094 NH1 ARG A 82 16.108 7.800 -7.746 1.00 0.00 N ATOM 1095 NH2 ARG A 82 14.995 6.399 -9.184 1.00 0.00 N ATOM 0 H ARG A 82 10.452 11.365 -6.157 1.00 0.00 H new ATOM 0 HA ARG A 82 10.123 8.789 -4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.635 8.012 -6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.405 9.033 -7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.114 10.075 -8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.391 10.870 -6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.501 9.970 -7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.920 8.937 -6.192 1.00 0.00 H new ATOM 0 HE ARG A 82 12.999 7.743 -8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.104 8.589 -7.099 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.976 7.298 -7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.132 6.110 -9.645 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.865 5.899 -9.370 1.00 0.00 H new ATOM 1109 N TRP A 83 12.260 8.504 -3.577 1.00 0.00 N ATOM 1110 CA TRP A 83 13.397 8.468 -2.672 1.00 0.00 C ATOM 1111 C TRP A 83 14.505 7.612 -3.266 1.00 0.00 C ATOM 1112 O TRP A 83 15.688 7.865 -3.040 1.00 0.00 O ATOM 1113 CB TRP A 83 13.000 7.936 -1.291 1.00 0.00 C ATOM 1114 CG TRP A 83 14.009 8.266 -0.233 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.080 7.511 0.145 1.00 0.00 C ATOM 1116 CD2 TRP A 83 14.045 9.448 0.573 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.781 8.151 1.135 1.00 0.00 N ATOM 1118 CE2 TRP A 83 15.166 9.341 1.417 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.239 10.585 0.665 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.500 10.329 2.335 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.571 11.566 1.577 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.693 11.432 2.403 1.00 0.00 C ATOM 0 H TRP A 83 11.667 7.674 -3.558 1.00 0.00 H new ATOM 0 HA TRP A 83 13.758 9.489 -2.543 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.034 8.354 -1.009 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.876 6.854 -1.345 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.338 6.550 -0.274 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.624 7.798 1.588 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.370 10.695 0.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.366 10.230 2.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.956 12.450 1.655 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.927 12.215 3.109 1.00 0.00 H new ATOM 1133 N GLY A 84 14.117 6.611 -4.040 1.00 0.00 N ATOM 1134 CA GLY A 84 15.087 5.732 -4.652 1.00 0.00 C ATOM 1135 C GLY A 84 14.490 4.382 -4.972 1.00 0.00 C ATOM 1136 O GLY A 84 13.297 4.281 -5.260 1.00 0.00 O ATOM 0 H GLY A 84 13.144 6.392 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.467 6.188 -5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.937 5.605 -3.982 1.00 0.00 H new ATOM 1140 N THR A 85 15.304 3.347 -4.908 1.00 0.00 N ATOM 1141 CA THR A 85 14.853 1.998 -5.197 1.00 0.00 C ATOM 1142 C THR A 85 14.774 1.167 -3.916 1.00 0.00 C ATOM 1143 O THR A 85 15.675 1.218 -3.078 1.00 0.00 O ATOM 1144 CB THR A 85 15.797 1.315 -6.202 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.179 2.252 -7.221 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.136 0.103 -6.844 1.00 0.00 C ATOM 0 H THR A 85 16.290 3.415 -4.656 1.00 0.00 H new ATOM 0 HA THR A 85 13.857 2.064 -5.635 1.00 0.00 H new ATOM 0 HB THR A 85 16.681 0.976 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.781 1.815 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.828 -0.358 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.871 -0.619 -6.071 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.235 0.417 -7.372 1.00 0.00 H new ATOM 1154 N VAL A 86 13.694 0.415 -3.772 1.00 0.00 N ATOM 1155 CA VAL A 86 13.489 -0.428 -2.605 1.00 0.00 C ATOM 1156 C VAL A 86 13.493 -1.894 -3.021 1.00 0.00 C ATOM 1157 O VAL A 86 12.935 -2.255 -4.060 1.00 0.00 O ATOM 1158 CB VAL A 86 12.156 -0.107 -1.895 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.178 -0.620 -0.468 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.865 1.384 -1.925 1.00 0.00 C ATOM 0 H VAL A 86 12.939 0.372 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 86 14.304 -0.231 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 86 11.355 -0.615 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.231 -0.385 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.326 -1.700 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.993 -0.144 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.920 1.581 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.667 1.922 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.798 1.721 -2.959 1.00 0.00 H new ATOM 1170 N ASP A 87 14.127 -2.734 -2.220 1.00 0.00 N ATOM 1171 CA ASP A 87 14.210 -4.152 -2.526 1.00 0.00 C ATOM 1172 C ASP A 87 13.774 -5.002 -1.339 1.00 0.00 C ATOM 1173 O ASP A 87 14.203 -4.772 -0.205 1.00 0.00 O ATOM 1174 CB ASP A 87 15.636 -4.516 -2.928 1.00 0.00 C ATOM 1175 CG ASP A 87 15.751 -5.956 -3.367 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.878 -6.837 -2.496 1.00 0.00 O ATOM 1177 OD2 ASP A 87 15.713 -6.218 -4.586 1.00 0.00 O ATOM 0 H ASP A 87 14.591 -2.459 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 87 13.534 -4.357 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.962 -3.863 -3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.306 -4.339 -2.087 1.00 0.00 H new ATOM 1182 N CYS A 88 12.920 -5.979 -1.611 1.00 0.00 N ATOM 1183 CA CYS A 88 12.418 -6.874 -0.579 1.00 0.00 C ATOM 1184 C CYS A 88 12.842 -8.321 -0.838 1.00 0.00 C ATOM 1185 O CYS A 88 12.076 -9.256 -0.606 1.00 0.00 O ATOM 1186 CB CYS A 88 10.891 -6.778 -0.490 1.00 0.00 C ATOM 1187 SG CYS A 88 10.289 -5.276 0.349 1.00 0.00 S ATOM 0 H CYS A 88 12.558 -6.172 -2.545 1.00 0.00 H new ATOM 0 HA CYS A 88 12.852 -6.563 0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.476 -6.810 -1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.513 -7.653 0.038 1.00 0.00 H new ATOM 1192 N THR A 89 14.058 -8.509 -1.334 1.00 0.00 N ATOM 1193 CA THR A 89 14.565 -9.851 -1.579 1.00 0.00 C ATOM 1194 C THR A 89 15.074 -10.447 -0.275 1.00 0.00 C ATOM 1195 O THR A 89 14.682 -11.546 0.107 1.00 0.00 O ATOM 1196 CB THR A 89 15.680 -9.860 -2.642 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.277 -9.066 -3.762 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.985 -11.276 -3.106 1.00 0.00 C ATOM 0 H THR A 89 14.705 -7.757 -1.572 1.00 0.00 H new ATOM 0 HA THR A 89 13.745 -10.456 -1.966 1.00 0.00 H new ATOM 0 HB THR A 89 16.583 -9.444 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.141 -8.139 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.776 -11.251 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.310 -11.875 -2.256 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.088 -11.718 -3.539 1.00 0.00 H new ATOM 1206 N THR A 90 15.918 -9.698 0.420 1.00 0.00 N ATOM 1207 CA THR A 90 16.462 -10.148 1.693 1.00 0.00 C ATOM 1208 C THR A 90 15.744 -9.448 2.853 1.00 0.00 C ATOM 1209 O THR A 90 16.144 -9.561 4.013 1.00 0.00 O ATOM 1210 CB THR A 90 17.988 -9.893 1.779 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.555 -10.638 2.863 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.295 -8.411 1.968 1.00 0.00 C ATOM 0 H THR A 90 16.241 -8.777 0.124 1.00 0.00 H new ATOM 0 HA THR A 90 16.297 -11.223 1.765 1.00 0.00 H new ATOM 0 HB THR A 90 18.430 -10.220 0.838 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.976 -10.563 3.650 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.374 -8.267 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.897 -7.847 1.125 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.833 -8.059 2.890 1.00 0.00 H new ATOM 1220 N ALA A 91 14.670 -8.738 2.528 1.00 0.00 N ATOM 1221 CA ALA A 91 13.893 -8.012 3.522 1.00 0.00 C ATOM 1222 C ALA A 91 12.401 -8.203 3.282 1.00 0.00 C ATOM 1223 O ALA A 91 12.007 -8.923 2.364 1.00 0.00 O ATOM 1224 CB ALA A 91 14.256 -6.536 3.488 1.00 0.00 C ATOM 0 H ALA A 91 14.316 -8.650 1.575 1.00 0.00 H new ATOM 0 HA ALA A 91 14.130 -8.409 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.670 -6.000 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.317 -6.417 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.041 -6.131 2.499 1.00 0.00 H new ATOM 1230 N ALA A 92 11.577 -7.554 4.092 1.00 0.00 N ATOM 1231 CA ALA A 92 10.134 -7.675 3.962 1.00 0.00 C ATOM 1232 C ALA A 92 9.508 -6.377 3.462 1.00 0.00 C ATOM 1233 O ALA A 92 10.040 -5.287 3.687 1.00 0.00 O ATOM 1234 CB ALA A 92 9.519 -8.077 5.292 1.00 0.00 C ATOM 0 H ALA A 92 11.884 -6.939 4.846 1.00 0.00 H new ATOM 0 HA ALA A 92 9.929 -8.451 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.438 -8.164 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.930 -9.036 5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.747 -7.320 6.042 1.00 0.00 H new ATOM 1240 N CYS A 93 8.378 -6.513 2.785 1.00 0.00 N ATOM 1241 CA CYS A 93 7.648 -5.371 2.249 1.00 0.00 C ATOM 1242 C CYS A 93 6.388 -5.158 3.078 1.00 0.00 C ATOM 1243 O CYS A 93 6.023 -6.022 3.870 1.00 0.00 O ATOM 1244 CB CYS A 93 7.273 -5.622 0.784 1.00 0.00 C ATOM 1245 SG CYS A 93 8.449 -4.957 -0.449 1.00 0.00 S ATOM 0 H CYS A 93 7.941 -7.414 2.591 1.00 0.00 H new ATOM 0 HA CYS A 93 8.277 -4.482 2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.179 -6.697 0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.291 -5.186 0.598 1.00 0.00 H new ATOM 1250 N GLN A 94 5.736 -4.018 2.922 1.00 0.00 N ATOM 1251 CA GLN A 94 4.514 -3.741 3.669 1.00 0.00 C ATOM 1252 C GLN A 94 3.438 -3.145 2.766 1.00 0.00 C ATOM 1253 O GLN A 94 3.734 -2.518 1.745 1.00 0.00 O ATOM 1254 CB GLN A 94 4.775 -2.809 4.863 1.00 0.00 C ATOM 1255 CG GLN A 94 5.886 -1.794 4.651 1.00 0.00 C ATOM 1256 CD GLN A 94 7.194 -2.232 5.278 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.055 -2.811 4.617 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.348 -1.975 6.566 1.00 0.00 N ATOM 0 H GLN A 94 6.027 -3.272 2.290 1.00 0.00 H new ATOM 0 HA GLN A 94 4.156 -4.695 4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.854 -2.275 5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.020 -3.417 5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.033 -1.637 3.582 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.585 -0.836 5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.612 -1.493 7.081 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.203 -2.259 7.044 1.00 0.00 H new ATOM 1267 N VAL A 95 2.186 -3.365 3.136 1.00 0.00 N ATOM 1268 CA VAL A 95 1.059 -2.848 2.374 1.00 0.00 C ATOM 1269 C VAL A 95 0.742 -1.424 2.812 1.00 0.00 C ATOM 1270 O VAL A 95 0.359 -1.193 3.961 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.200 -3.724 2.553 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.239 -3.390 1.492 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.159 -5.203 2.499 1.00 0.00 C ATOM 0 H VAL A 95 1.924 -3.901 3.963 1.00 0.00 H new ATOM 0 HA VAL A 95 1.342 -2.862 1.321 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.626 -3.511 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.119 -4.017 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.523 -2.341 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.820 -3.572 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.743 -5.801 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.612 -5.432 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.865 -5.435 3.296 1.00 0.00 H new ATOM 1283 N GLY A 96 0.910 -0.474 1.904 1.00 0.00 N ATOM 1284 CA GLY A 96 0.643 0.910 2.223 1.00 0.00 C ATOM 1285 C GLY A 96 -0.742 1.337 1.794 1.00 0.00 C ATOM 1286 O GLY A 96 -0.961 1.676 0.634 1.00 0.00 O ATOM 0 H GLY A 96 1.228 -0.640 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.752 1.061 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.384 1.543 1.735 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.676 1.304 2.729 1.00 0.00 N ATOM 1291 CA LEU A 97 -3.053 1.684 2.457 1.00 0.00 C ATOM 1292 C LEU A 97 -3.413 2.951 3.220 1.00 0.00 C ATOM 1293 O LEU A 97 -3.662 2.912 4.424 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.008 0.544 2.841 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.388 -0.601 3.660 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.227 -0.206 5.119 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.241 -1.853 3.545 1.00 0.00 C ATOM 0 H LEU A 97 -1.504 1.015 3.692 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.154 1.879 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.836 0.966 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.430 0.125 1.927 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.398 -0.809 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.787 -1.034 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.576 0.665 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.203 0.035 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.790 -2.655 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.242 -1.647 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.303 -2.156 2.500 1.00 0.00 H new ATOM 1309 N SER A 98 -3.427 4.074 2.527 1.00 0.00 N ATOM 1310 CA SER A 98 -3.753 5.342 3.155 1.00 0.00 C ATOM 1311 C SER A 98 -4.685 6.162 2.271 1.00 0.00 C ATOM 1312 O SER A 98 -4.784 5.925 1.068 1.00 0.00 O ATOM 1313 CB SER A 98 -2.471 6.124 3.447 1.00 0.00 C ATOM 1314 OG SER A 98 -1.575 5.356 4.236 1.00 0.00 O ATOM 0 H SER A 98 -3.217 4.135 1.531 1.00 0.00 H new ATOM 0 HA SER A 98 -4.268 5.141 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.989 6.402 2.510 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.716 7.050 3.966 1.00 0.00 H new ATOM 0 HG SER A 98 -0.652 5.598 4.012 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.378 7.111 2.880 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.298 7.978 2.155 1.00 0.00 C ATOM 1322 C ASP A 99 -5.550 9.174 1.569 1.00 0.00 C ATOM 1323 O ASP A 99 -4.322 9.225 1.614 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.414 8.455 3.090 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.001 9.640 3.942 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.096 9.492 4.789 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.588 10.727 3.769 1.00 0.00 O ATOM 0 H ASP A 99 -5.321 7.302 3.880 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.742 7.413 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.287 8.727 2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.713 7.633 3.740 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.298 10.136 1.032 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.715 11.337 0.442 1.00 0.00 C ATOM 1334 C ALA A 100 -4.899 12.120 1.470 1.00 0.00 C ATOM 1335 O ALA A 100 -3.888 12.735 1.129 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.809 12.219 -0.149 1.00 0.00 C ATOM 0 H ALA A 100 -7.317 10.105 0.994 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.040 11.027 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.361 13.111 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.344 11.667 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.506 12.511 0.637 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.341 12.095 2.724 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.643 12.791 3.795 1.00 0.00 C ATOM 1344 C ALA A 101 -3.396 12.015 4.208 1.00 0.00 C ATOM 1345 O ALA A 101 -2.303 12.578 4.302 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.565 12.996 4.986 1.00 0.00 C ATOM 0 H ALA A 101 -6.181 11.599 3.022 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.334 13.770 3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.027 13.518 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.427 13.590 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.904 12.028 5.355 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.561 10.722 4.448 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.433 9.898 4.831 1.00 0.00 C ATOM 1354 C GLY A 102 -2.704 9.060 6.063 1.00 0.00 C ATOM 1355 O GLY A 102 -1.780 8.715 6.802 1.00 0.00 O ATOM 0 H GLY A 102 -4.452 10.230 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.172 9.241 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.569 10.537 5.016 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.967 8.728 6.288 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.351 7.920 7.437 1.00 0.00 C ATOM 1361 C ASN A 103 -5.245 6.768 6.998 1.00 0.00 C ATOM 1362 O ASN A 103 -5.541 6.622 5.809 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.071 8.778 8.480 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.159 9.181 9.622 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.255 8.438 10.000 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.388 10.358 10.181 1.00 0.00 N ATOM 0 H ASN A 103 -4.745 9.006 5.689 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.447 7.511 7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.466 9.673 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.923 8.226 8.876 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.804 10.678 10.954 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.148 10.946 9.839 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.668 5.950 7.951 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.527 4.830 7.638 1.00 0.00 C ATOM 1375 C GLY A 104 -6.132 3.582 8.406 1.00 0.00 C ATOM 1376 O GLY A 104 -5.759 3.671 9.575 1.00 0.00 O ATOM 0 H GLY A 104 -5.430 6.044 8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.560 5.088 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.483 4.627 6.568 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.206 2.399 7.778 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.838 1.135 8.422 1.00 0.00 C ATOM 1382 C PRO A 105 -4.331 1.038 8.665 1.00 0.00 C ATOM 1383 O PRO A 105 -3.545 1.761 8.052 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.290 0.058 7.422 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.143 0.771 6.423 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.654 2.190 6.395 1.00 0.00 C ATOM 0 HA PRO A 105 -6.302 1.031 9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.434 -0.414 6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.850 -0.732 7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.058 0.310 5.439 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.195 0.727 6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.842 2.325 5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.444 2.886 6.115 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.935 0.142 9.553 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.529 -0.041 9.883 1.00 0.00 C ATOM 1396 C GLU A 106 -1.843 -0.936 8.857 1.00 0.00 C ATOM 1397 O GLU A 106 -2.378 -1.978 8.476 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.390 -0.644 11.279 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.981 -0.553 11.832 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.849 -1.217 13.180 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.076 -0.539 14.205 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.523 -2.419 13.223 1.00 0.00 O ATOM 0 H GLU A 106 -4.570 -0.474 10.061 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.045 0.935 9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.073 -0.134 11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.694 -1.690 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.288 -1.018 11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.694 0.495 11.916 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.667 -0.508 8.413 1.00 0.00 N ATOM 1410 CA GLY A 107 0.091 -1.264 7.433 1.00 0.00 C ATOM 1411 C GLY A 107 0.496 -2.641 7.923 1.00 0.00 C ATOM 1412 O GLY A 107 0.743 -2.844 9.113 1.00 0.00 O ATOM 0 H GLY A 107 -0.221 0.357 8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.504 -1.369 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.986 -0.703 7.164 1.00 0.00 H new ATOM 1416 N VAL A 108 0.569 -3.590 6.997 1.00 0.00 N ATOM 1417 CA VAL A 108 0.938 -4.960 7.326 1.00 0.00 C ATOM 1418 C VAL A 108 2.202 -5.373 6.578 1.00 0.00 C ATOM 1419 O VAL A 108 2.335 -5.107 5.385 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.198 -5.952 6.983 1.00 0.00 C ATOM 1421 CG1 VAL A 108 0.109 -7.341 7.528 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.529 -5.449 7.519 1.00 0.00 C ATOM 0 H VAL A 108 0.376 -3.434 6.008 1.00 0.00 H new ATOM 0 HA VAL A 108 1.121 -4.993 8.400 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.269 -6.022 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.705 -8.020 7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.037 -7.707 7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.215 -7.291 8.612 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.315 -6.161 7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.468 -5.343 8.602 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.759 -4.482 7.072 1.00 0.00 H new ATOM 1432 N ALA A 109 3.125 -6.013 7.284 1.00 0.00 N ATOM 1433 CA ALA A 109 4.371 -6.464 6.685 1.00 0.00 C ATOM 1434 C ALA A 109 4.218 -7.871 6.122 1.00 0.00 C ATOM 1435 O ALA A 109 3.632 -8.746 6.761 1.00 0.00 O ATOM 1436 CB ALA A 109 5.499 -6.418 7.704 1.00 0.00 C ATOM 0 H ALA A 109 3.032 -6.231 8.276 1.00 0.00 H new ATOM 0 HA ALA A 109 4.619 -5.792 5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.424 -6.759 7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.627 -5.395 8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.256 -7.067 8.546 1.00 0.00 H new ATOM 1442 N ILE A 110 4.737 -8.079 4.923 1.00 0.00 N ATOM 1443 CA ILE A 110 4.657 -9.372 4.255 1.00 0.00 C ATOM 1444 C ILE A 110 6.038 -9.832 3.797 1.00 0.00 C ATOM 1445 O ILE A 110 6.831 -9.040 3.285 1.00 0.00 O ATOM 1446 CB ILE A 110 3.701 -9.315 3.040 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.064 -8.141 2.120 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.259 -9.204 3.510 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.127 -7.968 0.942 1.00 0.00 C ATOM 0 H ILE A 110 5.224 -7.362 4.386 1.00 0.00 H new ATOM 0 HA ILE A 110 4.264 -10.088 4.977 1.00 0.00 H new ATOM 0 HB ILE A 110 3.809 -10.238 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.068 -7.222 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.078 -8.286 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.596 -9.165 2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.008 -10.071 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.138 -8.296 4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.451 -7.118 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.140 -8.871 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.115 -7.790 1.305 1.00 0.00 H new ATOM 1461 N SER A 111 6.322 -11.110 3.999 1.00 0.00 N ATOM 1462 CA SER A 111 7.600 -11.681 3.604 1.00 0.00 C ATOM 1463 C SER A 111 7.385 -12.783 2.575 1.00 0.00 C ATOM 1464 O SER A 111 6.370 -13.482 2.608 1.00 0.00 O ATOM 1465 CB SER A 111 8.335 -12.240 4.823 1.00 0.00 C ATOM 1466 OG SER A 111 8.014 -11.503 5.992 1.00 0.00 O ATOM 0 H SER A 111 5.682 -11.773 4.436 1.00 0.00 H new ATOM 0 HA SER A 111 8.209 -10.894 3.160 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.068 -13.287 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.411 -12.206 4.651 1.00 0.00 H new ATOM 0 HG SER A 111 8.494 -11.880 6.759 1.00 0.00 H new ATOM 1472 N PHE A 112 8.336 -12.933 1.669 1.00 0.00 N ATOM 1473 CA PHE A 112 8.247 -13.942 0.630 1.00 0.00 C ATOM 1474 C PHE A 112 8.993 -15.204 1.054 1.00 0.00 C ATOM 1475 O PHE A 112 9.816 -15.168 1.975 1.00 0.00 O ATOM 1476 CB PHE A 112 8.818 -13.397 -0.682 1.00 0.00 C ATOM 1477 CG PHE A 112 8.310 -12.027 -1.044 1.00 0.00 C ATOM 1478 CD1 PHE A 112 6.961 -11.801 -1.256 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.188 -10.964 -1.169 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.497 -10.542 -1.588 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.730 -9.702 -1.501 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.383 -9.492 -1.709 1.00 0.00 C ATOM 0 H PHE A 112 9.183 -12.365 1.633 1.00 0.00 H new ATOM 0 HA PHE A 112 7.199 -14.197 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.905 -13.363 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.575 -14.089 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.262 -12.619 -1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.244 -11.122 -1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.442 -10.381 -1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.426 -8.882 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.023 -8.507 -1.966 1.00 0.00 H new ATOM 1492 N ASN A 113 8.702 -16.322 0.400 1.00 0.00 N ATOM 1493 CA ASN A 113 9.357 -17.585 0.729 1.00 0.00 C ATOM 1494 C ASN A 113 10.628 -17.752 -0.091 1.00 0.00 C ATOM 1495 O ASN A 113 11.344 -18.751 0.113 1.00 0.00 O ATOM 1496 CB ASN A 113 8.421 -18.781 0.495 1.00 0.00 C ATOM 1497 CG ASN A 113 7.994 -18.929 -0.955 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.722 -19.480 -1.781 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.799 -18.457 -1.267 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.912 -16.873 -0.931 1.00 0.00 O ATOM 0 H ASN A 113 8.021 -16.382 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 113 9.614 -17.558 1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.922 -19.695 0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.534 -18.668 1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.450 -18.543 -2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.226 -18.007 -0.553 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.940 5.400 4.681 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.668 6.543 4.385 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.891 6.964 3.062 1.00 20.00 C HETATM 1511 C4 FLN A 114 5.329 6.146 1.949 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.574 4.956 2.339 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.410 4.629 3.650 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.685 3.475 4.288 1.00 20.00 C HETATM 1515 C2' FLN A 114 4.223 2.188 4.244 1.00 20.00 C HETATM 1516 C3' FLN A 114 3.539 1.131 4.846 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.311 1.295 5.505 1.00 20.00 C HETATM 1518 C5' FLN A 114 1.808 2.603 5.525 1.00 20.00 C HETATM 1519 C6' FLN A 114 2.468 3.676 4.937 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.495 6.469 0.764 1.00 20.00 O HETATM 1521 C5 FLN A 114 6.642 8.147 2.833 1.00 20.00 C HETATM 1522 C6 FLN A 114 7.146 8.873 3.927 1.00 20.00 C HETATM 1523 C7 FLN A 114 6.900 8.417 5.240 1.00 20.00 C HETATM 1524 C8 FLN A 114 6.163 7.256 5.472 1.00 20.00 C HETATM 0 H8 FLN A 114 5.978 6.912 6.490 1.00 20.00 H new HETATM 0 H7 FLN A 114 7.292 8.981 6.086 1.00 20.00 H new HETATM 0 H6' FLN A 114 2.034 4.675 4.984 1.00 20.00 H new HETATM 0 H6 FLN A 114 7.723 9.783 3.762 1.00 20.00 H new HETATM 0 H5' FLN A 114 0.857 2.787 6.024 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.827 8.491 1.815 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.784 0.462 5.970 1.00 20.00 H new HETATM 0 H3' FLN A 114 3.978 0.134 4.802 1.00 20.00 H new HETATM 0 H3 FLN A 114 4.136 4.321 1.568 1.00 20.00 H new HETATM 0 H2' FLN A 114 5.174 2.009 3.741 1.00 20.00 H new