USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 33:sc= 0.391 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.122 F(o=-1.8,f=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -140:sc= -0.791 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.7!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -84:sc= 0.812 USER MOD Single : A 76 THR OG1 : rot -99:sc= 0.949 USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= -0.0547 (180deg=-0.294) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.147 F(o=-0.72,f=-0.15) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc=-0.00245 K(o=-0.0024,f=-3.4!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 0.419 -3.861 -2.610 1.00 0.25 N ATOM 21 CA VAL A 2 -1.003 -3.732 -2.904 1.00 0.20 C ATOM 22 C VAL A 2 -1.193 -3.372 -4.368 1.00 0.17 C ATOM 23 O VAL A 2 -0.319 -2.746 -4.971 1.00 0.18 O ATOM 24 CB VAL A 2 -1.655 -2.641 -2.023 1.00 0.21 C ATOM 25 CG1 VAL A 2 -3.145 -2.500 -2.311 1.00 0.22 C ATOM 26 CG2 VAL A 2 -1.422 -2.935 -0.549 1.00 0.24 C ATOM 0 HA VAL A 2 -1.483 -4.687 -2.689 1.00 0.20 H new ATOM 0 HB VAL A 2 -1.181 -1.691 -2.271 1.00 0.21 H new ATOM 0 HG11 VAL A 2 -3.567 -1.724 -1.672 1.00 0.22 H new ATOM 0 HG12 VAL A 2 -3.289 -2.228 -3.357 1.00 0.22 H new ATOM 0 HG13 VAL A 2 -3.646 -3.447 -2.110 1.00 0.22 H new ATOM 0 HG21 VAL A 2 -1.888 -2.157 0.055 1.00 0.24 H new ATOM 0 HG22 VAL A 2 -1.860 -3.901 -0.297 1.00 0.24 H new ATOM 0 HG23 VAL A 2 -0.351 -2.958 -0.348 1.00 0.24 H new ATOM 36 N LYS A 3 -2.316 -3.769 -4.958 1.00 0.16 N ATOM 37 CA LYS A 3 -2.538 -3.464 -6.352 1.00 0.15 C ATOM 38 C LYS A 3 -3.994 -3.166 -6.613 1.00 0.15 C ATOM 39 O LYS A 3 -4.876 -3.970 -6.339 1.00 0.18 O ATOM 40 CB LYS A 3 -2.067 -4.611 -7.244 1.00 0.16 C ATOM 41 CG LYS A 3 -2.381 -5.993 -6.694 1.00 0.18 C ATOM 42 CD LYS A 3 -1.801 -7.079 -7.584 1.00 0.68 C ATOM 43 CE LYS A 3 -0.317 -7.277 -7.322 1.00 1.12 C ATOM 44 NZ LYS A 3 0.151 -8.625 -7.748 1.00 1.47 N ATOM 0 H LYS A 3 -3.065 -4.289 -4.500 1.00 0.16 H new ATOM 0 HA LYS A 3 -1.954 -2.576 -6.594 1.00 0.15 H new ATOM 0 HB2 LYS A 3 -2.530 -4.508 -8.225 1.00 0.16 H new ATOM 0 HB3 LYS A 3 -0.990 -4.525 -7.390 1.00 0.16 H new ATOM 0 HG2 LYS A 3 -1.975 -6.088 -5.687 1.00 0.18 H new ATOM 0 HG3 LYS A 3 -3.461 -6.120 -6.616 1.00 0.18 H new ATOM 0 HD2 LYS A 3 -2.331 -8.016 -7.410 1.00 0.68 H new ATOM 0 HD3 LYS A 3 -1.955 -6.815 -8.630 1.00 0.68 H new ATOM 0 HE2 LYS A 3 0.250 -6.512 -7.853 1.00 1.12 H new ATOM 0 HE3 LYS A 3 -0.116 -7.143 -6.259 1.00 1.12 H new ATOM 0 HZ1 LYS A 3 1.168 -8.718 -7.551 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -0.371 -9.356 -7.223 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -0.017 -8.745 -8.767 1.00 1.47 H new ATOM 58 N GLN A 4 -4.221 -1.984 -7.140 1.00 0.15 N ATOM 59 CA GLN A 4 -5.554 -1.523 -7.458 1.00 0.20 C ATOM 60 C GLN A 4 -6.039 -2.188 -8.757 1.00 0.19 C ATOM 61 O GLN A 4 -5.390 -2.072 -9.797 1.00 0.19 O ATOM 62 CB GLN A 4 -5.513 0.001 -7.593 1.00 0.25 C ATOM 63 CG GLN A 4 -6.865 0.662 -7.805 1.00 0.32 C ATOM 64 CD GLN A 4 -7.195 1.653 -6.709 1.00 0.80 C ATOM 65 OE1 GLN A 4 -6.521 2.675 -6.551 1.00 1.77 O ATOM 66 NE2 GLN A 4 -8.236 1.353 -5.943 1.00 0.68 N ATOM 0 H GLN A 4 -3.485 -1.313 -7.361 1.00 0.15 H new ATOM 0 HA GLN A 4 -6.255 -1.794 -6.669 1.00 0.20 H new ATOM 0 HB2 GLN A 4 -5.058 0.418 -6.695 1.00 0.25 H new ATOM 0 HB3 GLN A 4 -4.863 0.260 -8.429 1.00 0.25 H new ATOM 0 HG2 GLN A 4 -6.871 1.173 -8.768 1.00 0.32 H new ATOM 0 HG3 GLN A 4 -7.640 -0.104 -7.845 1.00 0.32 H new ATOM 0 HE21 GLN A 4 -8.763 0.496 -6.112 1.00 0.68 H new ATOM 0 HE22 GLN A 4 -8.509 1.979 -5.185 1.00 0.68 H new ATOM 75 N ILE A 5 -7.181 -2.874 -8.695 1.00 0.19 N ATOM 76 CA ILE A 5 -7.737 -3.539 -9.880 1.00 0.19 C ATOM 77 C ILE A 5 -8.891 -2.735 -10.450 1.00 0.18 C ATOM 78 O ILE A 5 -9.961 -2.648 -9.848 1.00 0.17 O ATOM 79 CB ILE A 5 -8.224 -4.976 -9.587 1.00 0.20 C ATOM 80 CG1 ILE A 5 -7.046 -5.867 -9.221 1.00 0.21 C ATOM 81 CG2 ILE A 5 -8.952 -5.556 -10.784 1.00 0.37 C ATOM 82 CD1 ILE A 5 -6.570 -5.633 -7.829 1.00 0.49 C ATOM 0 H ILE A 5 -7.736 -2.985 -7.847 1.00 0.19 H new ATOM 0 HA ILE A 5 -6.925 -3.601 -10.604 1.00 0.19 H new ATOM 0 HB ILE A 5 -8.917 -4.933 -8.747 1.00 0.20 H new ATOM 0 HG12 ILE A 5 -7.335 -6.912 -9.333 1.00 0.21 H new ATOM 0 HG13 ILE A 5 -6.227 -5.687 -9.918 1.00 0.21 H new ATOM 0 HG21 ILE A 5 -9.285 -6.568 -10.552 1.00 0.37 H new ATOM 0 HG22 ILE A 5 -9.816 -4.935 -11.020 1.00 0.37 H new ATOM 0 HG23 ILE A 5 -8.279 -5.583 -11.641 1.00 0.37 H new ATOM 0 HD11 ILE A 5 -5.729 -6.293 -7.616 1.00 0.49 H new ATOM 0 HD12 ILE A 5 -6.254 -4.595 -7.722 1.00 0.49 H new ATOM 0 HD13 ILE A 5 -7.379 -5.839 -7.128 1.00 0.49 H new ATOM 94 N GLU A 6 -8.673 -2.156 -11.619 1.00 0.19 N ATOM 95 CA GLU A 6 -9.704 -1.370 -12.269 1.00 0.19 C ATOM 96 C GLU A 6 -10.433 -2.177 -13.338 1.00 0.18 C ATOM 97 O GLU A 6 -11.077 -1.608 -14.220 1.00 0.20 O ATOM 98 CB GLU A 6 -9.102 -0.095 -12.862 1.00 0.24 C ATOM 99 CG GLU A 6 -9.207 1.103 -11.931 1.00 0.39 C ATOM 100 CD GLU A 6 -8.357 2.275 -12.381 1.00 0.69 C ATOM 101 OE1 GLU A 6 -7.499 2.080 -13.267 1.00 1.28 O ATOM 102 OE2 GLU A 6 -8.549 3.388 -11.847 1.00 1.57 O ATOM 0 H GLU A 6 -7.795 -2.216 -12.134 1.00 0.19 H new ATOM 0 HA GLU A 6 -10.441 -1.091 -11.516 1.00 0.19 H new ATOM 0 HB2 GLU A 6 -8.053 -0.272 -13.100 1.00 0.24 H new ATOM 0 HB3 GLU A 6 -9.607 0.136 -13.800 1.00 0.24 H new ATOM 0 HG2 GLU A 6 -10.248 1.418 -11.869 1.00 0.39 H new ATOM 0 HG3 GLU A 6 -8.904 0.805 -10.927 1.00 0.39 H new ATOM 109 N SER A 7 -10.331 -3.503 -13.265 1.00 0.16 N ATOM 110 CA SER A 7 -10.987 -4.362 -14.246 1.00 0.16 C ATOM 111 C SER A 7 -11.268 -5.754 -13.686 1.00 0.17 C ATOM 112 O SER A 7 -10.700 -6.154 -12.671 1.00 0.27 O ATOM 113 CB SER A 7 -10.126 -4.473 -15.503 1.00 0.18 C ATOM 114 OG SER A 7 -10.462 -3.460 -16.437 1.00 0.76 O ATOM 0 H SER A 7 -9.807 -4.000 -12.545 1.00 0.16 H new ATOM 0 HA SER A 7 -11.944 -3.905 -14.496 1.00 0.16 H new ATOM 0 HB2 SER A 7 -9.072 -4.392 -15.235 1.00 0.18 H new ATOM 0 HB3 SER A 7 -10.265 -5.454 -15.958 1.00 0.18 H new ATOM 0 HG SER A 7 -10.733 -2.650 -15.957 1.00 0.76 H new ATOM 120 N LYS A 8 -12.148 -6.490 -14.365 1.00 0.14 N ATOM 121 CA LYS A 8 -12.507 -7.839 -13.944 1.00 0.17 C ATOM 122 C LYS A 8 -11.409 -8.829 -14.309 1.00 0.17 C ATOM 123 O LYS A 8 -11.263 -9.870 -13.670 1.00 0.20 O ATOM 124 CB LYS A 8 -13.834 -8.261 -14.580 1.00 0.21 C ATOM 125 CG LYS A 8 -14.264 -9.682 -14.234 1.00 0.26 C ATOM 126 CD LYS A 8 -14.804 -10.416 -15.452 1.00 0.37 C ATOM 127 CE LYS A 8 -13.725 -11.244 -16.132 1.00 0.90 C ATOM 128 NZ LYS A 8 -14.306 -12.335 -16.961 1.00 1.36 N ATOM 0 H LYS A 8 -12.624 -6.172 -15.209 1.00 0.14 H new ATOM 0 HA LYS A 8 -12.622 -7.838 -12.860 1.00 0.17 H new ATOM 0 HB2 LYS A 8 -14.614 -7.569 -14.262 1.00 0.21 H new ATOM 0 HB3 LYS A 8 -13.751 -8.171 -15.663 1.00 0.21 H new ATOM 0 HG2 LYS A 8 -13.415 -10.230 -13.825 1.00 0.26 H new ATOM 0 HG3 LYS A 8 -15.029 -9.653 -13.458 1.00 0.26 H new ATOM 0 HD2 LYS A 8 -15.626 -11.066 -15.151 1.00 0.37 H new ATOM 0 HD3 LYS A 8 -15.211 -9.695 -16.161 1.00 0.37 H new ATOM 0 HE2 LYS A 8 -13.112 -10.597 -16.760 1.00 0.90 H new ATOM 0 HE3 LYS A 8 -13.066 -11.673 -15.377 1.00 0.90 H new ATOM 0 HZ1 LYS A 8 -13.539 -12.877 -17.408 1.00 1.36 H new ATOM 0 HZ2 LYS A 8 -14.870 -12.967 -16.357 1.00 1.36 H new ATOM 0 HZ3 LYS A 8 -14.915 -11.925 -17.697 1.00 1.36 H new ATOM 142 N THR A 9 -10.631 -8.499 -15.333 1.00 0.15 N ATOM 143 CA THR A 9 -9.544 -9.367 -15.761 1.00 0.17 C ATOM 144 C THR A 9 -8.343 -9.186 -14.844 1.00 0.17 C ATOM 145 O THR A 9 -7.591 -10.125 -14.593 1.00 0.19 O ATOM 146 CB THR A 9 -9.161 -9.079 -17.211 1.00 0.18 C ATOM 147 OG1 THR A 9 -10.318 -8.869 -18.002 1.00 0.24 O ATOM 148 CG2 THR A 9 -8.366 -10.197 -17.851 1.00 0.28 C ATOM 0 H THR A 9 -10.732 -7.643 -15.878 1.00 0.15 H new ATOM 0 HA THR A 9 -9.880 -10.402 -15.700 1.00 0.17 H new ATOM 0 HB THR A 9 -8.539 -8.185 -17.175 1.00 0.18 H new ATOM 0 HG1 THR A 9 -10.053 -8.684 -18.927 1.00 0.24 H new ATOM 0 HG21 THR A 9 -8.126 -9.930 -18.880 1.00 0.28 H new ATOM 0 HG22 THR A 9 -7.443 -10.354 -17.292 1.00 0.28 H new ATOM 0 HG23 THR A 9 -8.956 -11.114 -17.842 1.00 0.28 H new ATOM 156 N ALA A 10 -8.178 -7.966 -14.340 1.00 0.16 N ATOM 157 CA ALA A 10 -7.078 -7.651 -13.440 1.00 0.16 C ATOM 158 C ALA A 10 -7.238 -8.396 -12.119 1.00 0.16 C ATOM 159 O ALA A 10 -6.262 -8.871 -11.541 1.00 0.17 O ATOM 160 CB ALA A 10 -7.014 -6.147 -13.204 1.00 0.17 C ATOM 0 H ALA A 10 -8.795 -7.179 -14.542 1.00 0.16 H new ATOM 0 HA ALA A 10 -6.144 -7.973 -13.900 1.00 0.16 H new ATOM 0 HB1 ALA A 10 -6.188 -5.919 -12.530 1.00 0.17 H new ATOM 0 HB2 ALA A 10 -6.858 -5.636 -14.154 1.00 0.17 H new ATOM 0 HB3 ALA A 10 -7.950 -5.808 -12.759 1.00 0.17 H new ATOM 166 N PHE A 11 -8.477 -8.509 -11.654 1.00 0.16 N ATOM 167 CA PHE A 11 -8.768 -9.200 -10.401 1.00 0.16 C ATOM 168 C PHE A 11 -8.268 -10.639 -10.451 1.00 0.15 C ATOM 169 O PHE A 11 -7.611 -11.113 -9.525 1.00 0.17 O ATOM 170 CB PHE A 11 -10.275 -9.160 -10.125 1.00 0.17 C ATOM 171 CG PHE A 11 -10.634 -9.449 -8.697 1.00 0.16 C ATOM 172 CD1 PHE A 11 -10.032 -8.751 -7.664 1.00 0.17 C ATOM 173 CD2 PHE A 11 -11.569 -10.423 -8.388 1.00 0.21 C ATOM 174 CE1 PHE A 11 -10.354 -9.019 -6.349 1.00 0.20 C ATOM 175 CE2 PHE A 11 -11.896 -10.695 -7.074 1.00 0.24 C ATOM 176 CZ PHE A 11 -11.287 -9.992 -6.053 1.00 0.23 C ATOM 0 H PHE A 11 -9.298 -8.131 -12.126 1.00 0.16 H new ATOM 0 HA PHE A 11 -8.247 -8.692 -9.589 1.00 0.16 H new ATOM 0 HB2 PHE A 11 -10.659 -8.176 -10.395 1.00 0.17 H new ATOM 0 HB3 PHE A 11 -10.773 -9.884 -10.769 1.00 0.17 H new ATOM 0 HD1 PHE A 11 -9.302 -7.988 -7.890 1.00 0.17 H new ATOM 0 HD2 PHE A 11 -12.047 -10.976 -9.183 1.00 0.21 H new ATOM 0 HE1 PHE A 11 -9.876 -8.468 -5.552 1.00 0.20 H new ATOM 0 HE2 PHE A 11 -12.627 -11.456 -6.845 1.00 0.24 H new ATOM 0 HZ PHE A 11 -11.540 -10.203 -5.025 1.00 0.23 H new ATOM 186 N GLN A 12 -8.559 -11.314 -11.554 1.00 0.13 N ATOM 187 CA GLN A 12 -8.120 -12.690 -11.741 1.00 0.14 C ATOM 188 C GLN A 12 -6.600 -12.738 -11.825 1.00 0.15 C ATOM 189 O GLN A 12 -5.962 -13.633 -11.270 1.00 0.16 O ATOM 190 CB GLN A 12 -8.750 -13.289 -13.002 1.00 0.16 C ATOM 191 CG GLN A 12 -10.251 -13.045 -13.115 1.00 0.24 C ATOM 192 CD GLN A 12 -11.070 -13.920 -12.178 1.00 0.52 C ATOM 193 OE1 GLN A 12 -10.859 -13.762 -10.875 1.00 1.01 O flip ATOM 194 NE2 GLN A 12 -11.886 -14.727 -12.622 1.00 0.94 N flip ATOM 0 H GLN A 12 -9.097 -10.932 -12.332 1.00 0.13 H new ATOM 0 HA GLN A 12 -8.445 -13.285 -10.887 1.00 0.14 H new ATOM 0 HB2 GLN A 12 -8.256 -12.869 -13.878 1.00 0.16 H new ATOM 0 HB3 GLN A 12 -8.564 -14.363 -13.015 1.00 0.16 H new ATOM 0 HG2 GLN A 12 -10.460 -11.997 -12.899 1.00 0.24 H new ATOM 0 HG3 GLN A 12 -10.567 -13.228 -14.142 1.00 0.24 H new ATOM 0 HE21 GLN A 12 -12.018 -14.817 -13.629 1.00 0.94 H new ATOM 0 HE22 GLN A 12 -12.431 -15.306 -11.983 1.00 0.94 H new ATOM 203 N GLU A 13 -6.025 -11.762 -12.523 1.00 0.17 N ATOM 204 CA GLU A 13 -4.579 -11.680 -12.686 1.00 0.20 C ATOM 205 C GLU A 13 -3.883 -11.589 -11.334 1.00 0.19 C ATOM 206 O GLU A 13 -2.929 -12.317 -11.063 1.00 0.21 O ATOM 207 CB GLU A 13 -4.210 -10.463 -13.535 1.00 0.23 C ATOM 208 CG GLU A 13 -4.076 -10.776 -15.011 1.00 0.62 C ATOM 209 CD GLU A 13 -3.649 -9.571 -15.825 1.00 0.64 C ATOM 210 OE1 GLU A 13 -4.482 -8.660 -16.021 1.00 1.09 O ATOM 211 OE2 GLU A 13 -2.481 -9.536 -16.265 1.00 1.34 O ATOM 0 H GLU A 13 -6.542 -11.015 -12.986 1.00 0.17 H new ATOM 0 HA GLU A 13 -4.245 -12.587 -13.190 1.00 0.20 H new ATOM 0 HB2 GLU A 13 -4.970 -9.693 -13.402 1.00 0.23 H new ATOM 0 HB3 GLU A 13 -3.269 -10.048 -13.172 1.00 0.23 H new ATOM 0 HG2 GLU A 13 -3.348 -11.577 -15.144 1.00 0.62 H new ATOM 0 HG3 GLU A 13 -5.029 -11.146 -15.388 1.00 0.62 H new ATOM 218 N ALA A 14 -4.370 -10.688 -10.488 1.00 0.19 N ATOM 219 CA ALA A 14 -3.798 -10.496 -9.162 1.00 0.19 C ATOM 220 C ALA A 14 -4.015 -11.721 -8.285 1.00 0.19 C ATOM 221 O ALA A 14 -3.152 -12.083 -7.482 1.00 0.21 O ATOM 222 CB ALA A 14 -4.402 -9.264 -8.508 1.00 0.19 C ATOM 0 H ALA A 14 -5.161 -10.079 -10.698 1.00 0.19 H new ATOM 0 HA ALA A 14 -2.723 -10.351 -9.273 1.00 0.19 H new ATOM 0 HB1 ALA A 14 -3.968 -9.129 -7.517 1.00 0.19 H new ATOM 0 HB2 ALA A 14 -4.191 -8.387 -9.120 1.00 0.19 H new ATOM 0 HB3 ALA A 14 -5.481 -9.392 -8.418 1.00 0.19 H new ATOM 228 N LEU A 15 -5.167 -12.365 -8.440 1.00 0.19 N ATOM 229 CA LEU A 15 -5.474 -13.550 -7.650 1.00 0.20 C ATOM 230 C LEU A 15 -4.506 -14.674 -7.992 1.00 0.21 C ATOM 231 O LEU A 15 -4.063 -15.417 -7.114 1.00 0.23 O ATOM 232 CB LEU A 15 -6.916 -14.006 -7.884 1.00 0.20 C ATOM 233 CG LEU A 15 -7.970 -13.276 -7.052 1.00 0.21 C ATOM 234 CD1 LEU A 15 -9.367 -13.636 -7.532 1.00 0.24 C ATOM 235 CD2 LEU A 15 -7.806 -13.614 -5.577 1.00 0.30 C ATOM 0 H LEU A 15 -5.896 -12.090 -9.098 1.00 0.19 H new ATOM 0 HA LEU A 15 -5.364 -13.295 -6.596 1.00 0.20 H new ATOM 0 HB2 LEU A 15 -7.155 -13.876 -8.940 1.00 0.20 H new ATOM 0 HB3 LEU A 15 -6.982 -15.073 -7.671 1.00 0.20 H new ATOM 0 HG LEU A 15 -7.831 -12.202 -7.177 1.00 0.21 H new ATOM 0 HD11 LEU A 15 -10.106 -13.108 -6.929 1.00 0.24 H new ATOM 0 HD12 LEU A 15 -9.478 -13.348 -8.577 1.00 0.24 H new ATOM 0 HD13 LEU A 15 -9.520 -14.711 -7.434 1.00 0.24 H new ATOM 0 HD21 LEU A 15 -8.563 -13.087 -4.997 1.00 0.30 H new ATOM 0 HD22 LEU A 15 -7.922 -14.688 -5.435 1.00 0.30 H new ATOM 0 HD23 LEU A 15 -6.815 -13.309 -5.242 1.00 0.30 H new ATOM 247 N ASP A 16 -4.165 -14.783 -9.273 1.00 0.22 N ATOM 248 CA ASP A 16 -3.234 -15.807 -9.727 1.00 0.23 C ATOM 249 C ASP A 16 -1.844 -15.554 -9.157 1.00 0.20 C ATOM 250 O ASP A 16 -1.050 -16.480 -8.994 1.00 0.17 O ATOM 251 CB ASP A 16 -3.173 -15.835 -11.255 1.00 0.27 C ATOM 252 CG ASP A 16 -2.977 -17.235 -11.804 1.00 0.89 C ATOM 253 OD1 ASP A 16 -3.707 -18.150 -11.370 1.00 1.70 O ATOM 254 OD2 ASP A 16 -2.095 -17.416 -12.670 1.00 1.58 O ATOM 0 H ASP A 16 -4.519 -14.176 -10.012 1.00 0.22 H new ATOM 0 HA ASP A 16 -3.590 -16.774 -9.371 1.00 0.23 H new ATOM 0 HB2 ASP A 16 -4.094 -15.415 -11.660 1.00 0.27 H new ATOM 0 HB3 ASP A 16 -2.356 -15.198 -11.594 1.00 0.27 H new ATOM 259 N ALA A 17 -1.549 -14.289 -8.882 1.00 0.20 N ATOM 260 CA ALA A 17 -0.246 -13.915 -8.359 1.00 0.18 C ATOM 261 C ALA A 17 -0.029 -14.487 -6.963 1.00 0.12 C ATOM 262 O ALA A 17 1.039 -15.029 -6.679 1.00 0.30 O ATOM 263 CB ALA A 17 -0.088 -12.402 -8.346 1.00 0.31 C ATOM 0 H ALA A 17 -2.194 -13.509 -9.013 1.00 0.20 H new ATOM 0 HA ALA A 17 0.513 -14.337 -9.018 1.00 0.18 H new ATOM 0 HB1 ALA A 17 0.894 -12.142 -7.951 1.00 0.31 H new ATOM 0 HB2 ALA A 17 -0.184 -12.017 -9.361 1.00 0.31 H new ATOM 0 HB3 ALA A 17 -0.861 -11.961 -7.716 1.00 0.31 H new ATOM 269 N ALA A 18 -1.029 -14.385 -6.086 1.00 0.21 N ATOM 270 CA ALA A 18 -0.874 -14.925 -4.737 1.00 0.33 C ATOM 271 C ALA A 18 -0.731 -16.448 -4.798 1.00 0.24 C ATOM 272 O ALA A 18 0.310 -17.003 -4.446 1.00 0.63 O ATOM 273 CB ALA A 18 -2.084 -14.552 -3.893 1.00 0.53 C ATOM 0 H ALA A 18 -1.930 -13.947 -6.278 1.00 0.21 H new ATOM 0 HA ALA A 18 0.023 -14.503 -4.284 1.00 0.33 H new ATOM 0 HB1 ALA A 18 -1.965 -14.956 -2.888 1.00 0.53 H new ATOM 0 HB2 ALA A 18 -2.170 -13.467 -3.840 1.00 0.53 H new ATOM 0 HB3 ALA A 18 -2.985 -14.965 -4.346 1.00 0.53 H new ATOM 279 N GLY A 19 -1.799 -17.111 -5.235 1.00 0.28 N ATOM 280 CA GLY A 19 -1.798 -18.567 -5.325 1.00 0.43 C ATOM 281 C GLY A 19 -2.211 -19.239 -4.023 1.00 0.30 C ATOM 282 O GLY A 19 -3.399 -19.444 -3.780 1.00 0.35 O ATOM 0 H GLY A 19 -2.669 -16.667 -5.530 1.00 0.28 H new ATOM 0 HA2 GLY A 19 -2.476 -18.878 -6.120 1.00 0.43 H new ATOM 0 HA3 GLY A 19 -0.801 -18.908 -5.605 1.00 0.43 H new ATOM 286 N ASP A 20 -1.237 -19.589 -3.182 1.00 0.22 N ATOM 287 CA ASP A 20 -1.533 -20.248 -1.909 1.00 0.15 C ATOM 288 C ASP A 20 -1.603 -19.246 -0.758 1.00 0.15 C ATOM 289 O ASP A 20 -2.034 -19.589 0.343 1.00 0.20 O ATOM 290 CB ASP A 20 -0.485 -21.319 -1.598 1.00 0.21 C ATOM 291 CG ASP A 20 -0.814 -22.098 -0.339 1.00 1.40 C ATOM 292 OD1 ASP A 20 -1.724 -22.952 -0.391 1.00 2.26 O ATOM 293 OD2 ASP A 20 -0.165 -21.853 0.699 1.00 2.13 O ATOM 0 H ASP A 20 -0.245 -19.429 -3.357 1.00 0.22 H new ATOM 0 HA ASP A 20 -2.510 -20.720 -2.010 1.00 0.15 H new ATOM 0 HB2 ASP A 20 -0.412 -22.008 -2.440 1.00 0.21 H new ATOM 0 HB3 ASP A 20 0.491 -20.847 -1.486 1.00 0.21 H new ATOM 298 N LYS A 21 -1.197 -18.006 -1.015 1.00 0.14 N ATOM 299 CA LYS A 21 -1.236 -16.972 0.000 1.00 0.16 C ATOM 300 C LYS A 21 -2.670 -16.509 0.202 1.00 0.14 C ATOM 301 O LYS A 21 -3.477 -16.552 -0.726 1.00 0.15 O ATOM 302 CB LYS A 21 -0.355 -15.790 -0.414 1.00 0.19 C ATOM 303 CG LYS A 21 1.127 -16.127 -0.461 1.00 0.30 C ATOM 304 CD LYS A 21 1.932 -15.047 -1.167 1.00 0.42 C ATOM 305 CE LYS A 21 3.416 -15.379 -1.161 1.00 0.54 C ATOM 306 NZ LYS A 21 4.158 -14.651 -2.227 1.00 1.14 N ATOM 0 H LYS A 21 -0.838 -17.698 -1.919 1.00 0.14 H new ATOM 0 HA LYS A 21 -0.855 -17.378 0.937 1.00 0.16 H new ATOM 0 HB2 LYS A 21 -0.671 -15.438 -1.396 1.00 0.19 H new ATOM 0 HB3 LYS A 21 -0.511 -14.968 0.285 1.00 0.19 H new ATOM 0 HG2 LYS A 21 1.503 -16.255 0.554 1.00 0.30 H new ATOM 0 HG3 LYS A 21 1.267 -17.078 -0.975 1.00 0.30 H new ATOM 0 HD2 LYS A 21 1.584 -14.942 -2.195 1.00 0.42 H new ATOM 0 HD3 LYS A 21 1.769 -14.088 -0.676 1.00 0.42 H new ATOM 0 HE2 LYS A 21 3.839 -15.127 -0.189 1.00 0.54 H new ATOM 0 HE3 LYS A 21 3.547 -16.452 -1.297 1.00 0.54 H new ATOM 0 HZ1 LYS A 21 5.165 -14.907 -2.186 1.00 1.14 H new ATOM 0 HZ2 LYS A 21 3.772 -14.910 -3.157 1.00 1.14 H new ATOM 0 HZ3 LYS A 21 4.055 -13.626 -2.083 1.00 1.14 H new ATOM 320 N LEU A 22 -2.985 -16.055 1.405 1.00 0.13 N ATOM 321 CA LEU A 22 -4.328 -15.577 1.701 1.00 0.13 C ATOM 322 C LEU A 22 -4.534 -14.189 1.104 1.00 0.13 C ATOM 323 O LEU A 22 -3.728 -13.282 1.319 1.00 0.17 O ATOM 324 CB LEU A 22 -4.562 -15.553 3.216 1.00 0.14 C ATOM 325 CG LEU A 22 -5.816 -14.806 3.691 1.00 0.14 C ATOM 326 CD1 LEU A 22 -6.982 -15.039 2.743 1.00 0.16 C ATOM 327 CD2 LEU A 22 -6.184 -15.242 5.103 1.00 0.20 C ATOM 0 H LEU A 22 -2.334 -16.007 2.189 1.00 0.13 H new ATOM 0 HA LEU A 22 -5.051 -16.258 1.253 1.00 0.13 H new ATOM 0 HB2 LEU A 22 -4.620 -16.582 3.571 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.692 -15.100 3.691 1.00 0.14 H new ATOM 0 HG LEU A 22 -5.595 -13.739 3.698 1.00 0.14 H new ATOM 0 HD11 LEU A 22 -7.857 -14.499 3.103 1.00 0.16 H new ATOM 0 HD12 LEU A 22 -6.719 -14.681 1.748 1.00 0.16 H new ATOM 0 HD13 LEU A 22 -7.207 -16.105 2.698 1.00 0.16 H new ATOM 0 HD21 LEU A 22 -7.075 -14.705 5.429 1.00 0.20 H new ATOM 0 HD22 LEU A 22 -6.382 -16.314 5.113 1.00 0.20 H new ATOM 0 HD23 LEU A 22 -5.359 -15.019 5.779 1.00 0.20 H new ATOM 339 N VAL A 23 -5.609 -14.034 0.343 1.00 0.13 N ATOM 340 CA VAL A 23 -5.909 -12.764 -0.294 1.00 0.15 C ATOM 341 C VAL A 23 -7.075 -12.059 0.384 1.00 0.16 C ATOM 342 O VAL A 23 -8.227 -12.477 0.274 1.00 0.17 O ATOM 343 CB VAL A 23 -6.238 -12.952 -1.787 1.00 0.16 C ATOM 344 CG1 VAL A 23 -6.168 -11.628 -2.537 1.00 0.18 C ATOM 345 CG2 VAL A 23 -5.311 -13.979 -2.417 1.00 0.18 C ATOM 0 H VAL A 23 -6.286 -14.773 0.153 1.00 0.13 H new ATOM 0 HA VAL A 23 -5.015 -12.148 -0.196 1.00 0.15 H new ATOM 0 HB VAL A 23 -7.260 -13.323 -1.860 1.00 0.16 H new ATOM 0 HG11 VAL A 23 -6.405 -11.792 -3.588 1.00 0.18 H new ATOM 0 HG12 VAL A 23 -6.886 -10.929 -2.108 1.00 0.18 H new ATOM 0 HG13 VAL A 23 -5.163 -11.214 -2.452 1.00 0.18 H new ATOM 0 HG21 VAL A 23 -5.561 -14.096 -3.471 1.00 0.18 H new ATOM 0 HG22 VAL A 23 -4.278 -13.643 -2.324 1.00 0.18 H new ATOM 0 HG23 VAL A 23 -5.428 -14.936 -1.908 1.00 0.18 H new ATOM 355 N VAL A 24 -6.760 -10.966 1.062 1.00 0.18 N ATOM 356 CA VAL A 24 -7.765 -10.162 1.735 1.00 0.20 C ATOM 357 C VAL A 24 -7.969 -8.890 0.930 1.00 0.20 C ATOM 358 O VAL A 24 -7.046 -8.093 0.766 1.00 0.22 O ATOM 359 CB VAL A 24 -7.344 -9.818 3.181 1.00 0.23 C ATOM 360 CG1 VAL A 24 -6.026 -9.060 3.192 1.00 0.24 C ATOM 361 CG2 VAL A 24 -8.433 -9.026 3.898 1.00 0.26 C ATOM 0 H VAL A 24 -5.808 -10.614 1.160 1.00 0.18 H new ATOM 0 HA VAL A 24 -8.694 -10.729 1.799 1.00 0.20 H new ATOM 0 HB VAL A 24 -7.203 -10.754 3.721 1.00 0.23 H new ATOM 0 HG11 VAL A 24 -5.748 -8.828 4.220 1.00 0.24 H new ATOM 0 HG12 VAL A 24 -5.249 -9.674 2.736 1.00 0.24 H new ATOM 0 HG13 VAL A 24 -6.134 -8.134 2.627 1.00 0.24 H new ATOM 0 HG21 VAL A 24 -8.109 -8.798 4.913 1.00 0.26 H new ATOM 0 HG22 VAL A 24 -8.621 -8.097 3.360 1.00 0.26 H new ATOM 0 HG23 VAL A 24 -9.349 -9.616 3.934 1.00 0.26 H new ATOM 371 N VAL A 25 -9.167 -8.716 0.396 1.00 0.20 N ATOM 372 CA VAL A 25 -9.449 -7.553 -0.427 1.00 0.21 C ATOM 373 C VAL A 25 -10.633 -6.740 0.100 1.00 0.24 C ATOM 374 O VAL A 25 -11.404 -7.207 0.939 1.00 0.46 O ATOM 375 CB VAL A 25 -9.654 -7.960 -1.904 1.00 0.20 C ATOM 376 CG1 VAL A 25 -8.320 -8.253 -2.546 1.00 0.18 C ATOM 377 CG2 VAL A 25 -10.528 -9.185 -2.039 1.00 0.22 C ATOM 0 H VAL A 25 -9.951 -9.357 0.516 1.00 0.20 H new ATOM 0 HA VAL A 25 -8.577 -6.901 -0.373 1.00 0.21 H new ATOM 0 HB VAL A 25 -10.148 -7.125 -2.401 1.00 0.20 H new ATOM 0 HG11 VAL A 25 -8.472 -8.539 -3.587 1.00 0.18 H new ATOM 0 HG12 VAL A 25 -7.692 -7.363 -2.502 1.00 0.18 H new ATOM 0 HG13 VAL A 25 -7.831 -9.069 -2.013 1.00 0.18 H new ATOM 0 HG21 VAL A 25 -10.645 -9.434 -3.094 1.00 0.22 H new ATOM 0 HG22 VAL A 25 -10.064 -10.022 -1.517 1.00 0.22 H new ATOM 0 HG23 VAL A 25 -11.507 -8.984 -1.603 1.00 0.22 H new ATOM 387 N ASP A 26 -10.752 -5.510 -0.387 1.00 0.16 N ATOM 388 CA ASP A 26 -11.821 -4.618 0.055 1.00 0.17 C ATOM 389 C ASP A 26 -12.603 -4.038 -1.116 1.00 0.16 C ATOM 390 O ASP A 26 -12.023 -3.533 -2.075 1.00 0.15 O ATOM 391 CB ASP A 26 -11.248 -3.481 0.906 1.00 0.19 C ATOM 392 CG ASP A 26 -12.313 -2.770 1.722 1.00 0.23 C ATOM 393 OD1 ASP A 26 -13.335 -3.408 2.052 1.00 1.12 O ATOM 394 OD2 ASP A 26 -12.123 -1.575 2.031 1.00 1.12 O ATOM 0 H ASP A 26 -10.126 -5.108 -1.084 1.00 0.16 H new ATOM 0 HA ASP A 26 -12.509 -5.214 0.654 1.00 0.17 H new ATOM 0 HB2 ASP A 26 -10.488 -3.882 1.577 1.00 0.19 H new ATOM 0 HB3 ASP A 26 -10.752 -2.760 0.256 1.00 0.19 H new ATOM 399 N PHE A 27 -13.928 -4.085 -1.010 1.00 0.16 N ATOM 400 CA PHE A 27 -14.802 -3.538 -2.043 1.00 0.16 C ATOM 401 C PHE A 27 -15.274 -2.155 -1.614 1.00 0.16 C ATOM 402 O PHE A 27 -16.088 -2.021 -0.701 1.00 0.16 O ATOM 403 CB PHE A 27 -15.985 -4.475 -2.295 1.00 0.18 C ATOM 404 CG PHE A 27 -15.740 -5.372 -3.469 1.00 0.17 C ATOM 405 CD1 PHE A 27 -14.987 -6.527 -3.324 1.00 0.16 C ATOM 406 CD2 PHE A 27 -16.220 -5.039 -4.725 1.00 0.21 C ATOM 407 CE1 PHE A 27 -14.716 -7.336 -4.411 1.00 0.18 C ATOM 408 CE2 PHE A 27 -15.961 -5.847 -5.816 1.00 0.24 C ATOM 409 CZ PHE A 27 -15.206 -6.996 -5.660 1.00 0.20 C ATOM 0 H PHE A 27 -14.421 -4.497 -0.218 1.00 0.16 H new ATOM 0 HA PHE A 27 -14.252 -3.448 -2.980 1.00 0.16 H new ATOM 0 HB2 PHE A 27 -16.166 -5.080 -1.406 1.00 0.18 H new ATOM 0 HB3 PHE A 27 -16.885 -3.886 -2.469 1.00 0.18 H new ATOM 0 HD1 PHE A 27 -14.608 -6.798 -2.350 1.00 0.16 H new ATOM 0 HD2 PHE A 27 -16.803 -4.139 -4.853 1.00 0.21 H new ATOM 0 HE1 PHE A 27 -14.124 -8.231 -4.286 1.00 0.18 H new ATOM 0 HE2 PHE A 27 -16.347 -5.582 -6.789 1.00 0.24 H new ATOM 0 HZ PHE A 27 -14.999 -7.627 -6.512 1.00 0.20 H new ATOM 419 N SER A 28 -14.730 -1.126 -2.252 1.00 0.17 N ATOM 420 CA SER A 28 -15.071 0.243 -1.893 1.00 0.17 C ATOM 421 C SER A 28 -15.690 1.026 -3.045 1.00 0.21 C ATOM 422 O SER A 28 -15.944 0.492 -4.122 1.00 0.49 O ATOM 423 CB SER A 28 -13.825 0.963 -1.368 1.00 0.21 C ATOM 424 OG SER A 28 -12.670 0.597 -2.106 1.00 1.22 O ATOM 0 H SER A 28 -14.057 -1.213 -3.014 1.00 0.17 H new ATOM 0 HA SER A 28 -15.830 0.192 -1.112 1.00 0.17 H new ATOM 0 HB2 SER A 28 -13.972 2.041 -1.430 1.00 0.21 H new ATOM 0 HB3 SER A 28 -13.679 0.721 -0.315 1.00 0.21 H new ATOM 0 HG SER A 28 -11.890 1.073 -1.751 1.00 1.22 H new ATOM 430 N ALA A 29 -15.911 2.308 -2.782 1.00 0.25 N ATOM 431 CA ALA A 29 -16.495 3.218 -3.757 1.00 0.24 C ATOM 432 C ALA A 29 -15.929 4.617 -3.581 1.00 0.25 C ATOM 433 O ALA A 29 -15.499 4.989 -2.491 1.00 0.24 O ATOM 434 CB ALA A 29 -18.014 3.243 -3.627 1.00 0.28 C ATOM 0 H ALA A 29 -15.690 2.745 -1.887 1.00 0.25 H new ATOM 0 HA ALA A 29 -16.240 2.860 -4.755 1.00 0.24 H new ATOM 0 HB1 ALA A 29 -18.431 3.929 -4.364 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -18.410 2.242 -3.798 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -18.288 3.576 -2.626 1.00 0.28 H new ATOM 440 N THR A 30 -15.948 5.396 -4.656 1.00 0.29 N ATOM 441 CA THR A 30 -15.446 6.762 -4.619 1.00 0.34 C ATOM 442 C THR A 30 -16.360 7.634 -3.772 1.00 0.34 C ATOM 443 O THR A 30 -15.903 8.506 -3.032 1.00 0.37 O ATOM 444 CB THR A 30 -15.348 7.327 -6.037 1.00 0.39 C ATOM 445 OG1 THR A 30 -15.223 6.284 -6.985 1.00 0.77 O ATOM 446 CG2 THR A 30 -14.175 8.264 -6.231 1.00 0.82 C ATOM 0 H THR A 30 -16.306 5.103 -5.565 1.00 0.29 H new ATOM 0 HA THR A 30 -14.452 6.757 -4.173 1.00 0.34 H new ATOM 0 HB THR A 30 -16.270 7.889 -6.186 1.00 0.39 H new ATOM 0 HG1 THR A 30 -15.163 6.666 -7.886 1.00 0.77 H new ATOM 0 HG21 THR A 30 -14.166 8.628 -7.259 1.00 0.82 H new ATOM 0 HG22 THR A 30 -14.267 9.109 -5.548 1.00 0.82 H new ATOM 0 HG23 THR A 30 -13.246 7.732 -6.026 1.00 0.82 H new ATOM 454 N TRP A 31 -17.661 7.383 -3.894 1.00 0.33 N ATOM 455 CA TRP A 31 -18.668 8.140 -3.154 1.00 0.37 C ATOM 456 C TRP A 31 -18.910 7.541 -1.769 1.00 0.33 C ATOM 457 O TRP A 31 -19.878 7.887 -1.093 1.00 0.37 O ATOM 458 CB TRP A 31 -19.984 8.182 -3.937 1.00 0.41 C ATOM 459 CG TRP A 31 -20.530 6.825 -4.255 1.00 0.34 C ATOM 460 CD1 TRP A 31 -20.137 6.001 -5.269 1.00 0.41 C ATOM 461 CD2 TRP A 31 -21.570 6.135 -3.555 1.00 0.35 C ATOM 462 NE1 TRP A 31 -20.867 4.839 -5.241 1.00 0.43 N ATOM 463 CE2 TRP A 31 -21.755 4.897 -4.199 1.00 0.37 C ATOM 464 CE3 TRP A 31 -22.366 6.443 -2.449 1.00 0.48 C ATOM 465 CZ2 TRP A 31 -22.696 3.967 -3.768 1.00 0.47 C ATOM 466 CZ3 TRP A 31 -23.301 5.519 -2.023 1.00 0.58 C ATOM 467 CH2 TRP A 31 -23.461 4.295 -2.682 1.00 0.55 C ATOM 0 H TRP A 31 -18.044 6.658 -4.501 1.00 0.33 H new ATOM 0 HA TRP A 31 -18.291 9.155 -3.026 1.00 0.37 H new ATOM 0 HB2 TRP A 31 -20.724 8.737 -3.360 1.00 0.41 H new ATOM 0 HB3 TRP A 31 -19.828 8.730 -4.866 1.00 0.41 H new ATOM 0 HD1 TRP A 31 -19.365 6.230 -5.988 1.00 0.41 H new ATOM 0 HE1 TRP A 31 -20.765 4.059 -5.890 1.00 0.43 H new ATOM 0 HE3 TRP A 31 -22.253 7.387 -1.936 1.00 0.48 H new ATOM 0 HZ2 TRP A 31 -22.818 3.020 -4.273 1.00 0.47 H new ATOM 0 HZ3 TRP A 31 -23.919 5.745 -1.167 1.00 0.58 H new ATOM 0 HH2 TRP A 31 -24.203 3.595 -2.326 1.00 0.55 H new ATOM 478 N CYS A 32 -18.012 6.659 -1.336 1.00 0.28 N ATOM 479 CA CYS A 32 -18.126 6.041 -0.022 1.00 0.28 C ATOM 480 C CYS A 32 -17.232 6.755 0.985 1.00 0.33 C ATOM 481 O CYS A 32 -16.115 7.158 0.660 1.00 0.52 O ATOM 482 CB CYS A 32 -17.757 4.558 -0.088 1.00 0.27 C ATOM 483 SG CYS A 32 -18.134 3.638 1.438 1.00 0.33 S ATOM 0 H CYS A 32 -17.200 6.358 -1.876 1.00 0.28 H new ATOM 0 HA CYS A 32 -19.163 6.129 0.304 1.00 0.28 H new ATOM 0 HB2 CYS A 32 -18.290 4.097 -0.920 1.00 0.27 H new ATOM 0 HB3 CYS A 32 -16.692 4.467 -0.302 1.00 0.27 H new ATOM 488 N GLY A 33 -17.729 6.906 2.206 1.00 0.23 N ATOM 489 CA GLY A 33 -16.957 7.569 3.241 1.00 0.28 C ATOM 490 C GLY A 33 -16.229 6.582 4.134 1.00 0.26 C ATOM 491 O GLY A 33 -15.000 6.519 4.122 1.00 0.29 O ATOM 0 H GLY A 33 -18.651 6.582 2.499 1.00 0.23 H new ATOM 0 HA2 GLY A 33 -16.233 8.240 2.778 1.00 0.28 H new ATOM 0 HA3 GLY A 33 -17.620 8.185 3.848 1.00 0.28 H new ATOM 495 N PRO A 34 -16.969 5.790 4.929 1.00 0.24 N ATOM 496 CA PRO A 34 -16.374 4.801 5.832 1.00 0.24 C ATOM 497 C PRO A 34 -15.393 3.881 5.112 1.00 0.22 C ATOM 498 O PRO A 34 -14.465 3.350 5.722 1.00 0.22 O ATOM 499 CB PRO A 34 -17.581 4.009 6.338 1.00 0.27 C ATOM 500 CG PRO A 34 -18.728 4.950 6.216 1.00 0.41 C ATOM 501 CD PRO A 34 -18.441 5.800 5.009 1.00 0.29 C ATOM 0 HA PRO A 34 -15.794 5.269 6.627 1.00 0.24 H new ATOM 0 HB2 PRO A 34 -17.742 3.109 5.744 1.00 0.27 H new ATOM 0 HB3 PRO A 34 -17.440 3.688 7.370 1.00 0.27 H new ATOM 0 HG2 PRO A 34 -19.666 4.408 6.097 1.00 0.41 H new ATOM 0 HG3 PRO A 34 -18.826 5.564 7.111 1.00 0.41 H new ATOM 0 HD2 PRO A 34 -18.896 5.387 4.109 1.00 0.29 H new ATOM 0 HD3 PRO A 34 -18.831 6.811 5.127 1.00 0.29 H new ATOM 509 N CYS A 35 -15.600 3.702 3.810 1.00 0.22 N ATOM 510 CA CYS A 35 -14.727 2.852 3.009 1.00 0.24 C ATOM 511 C CYS A 35 -13.297 3.379 3.035 1.00 0.22 C ATOM 512 O CYS A 35 -12.343 2.617 3.193 1.00 0.25 O ATOM 513 CB CYS A 35 -15.224 2.784 1.562 1.00 0.27 C ATOM 514 SG CYS A 35 -16.879 2.045 1.368 1.00 0.36 S ATOM 0 H CYS A 35 -16.363 4.134 3.289 1.00 0.22 H new ATOM 0 HA CYS A 35 -14.744 1.850 3.438 1.00 0.24 H new ATOM 0 HB2 CYS A 35 -15.239 3.792 1.148 1.00 0.27 H new ATOM 0 HB3 CYS A 35 -14.511 2.208 0.972 1.00 0.27 H new ATOM 519 N LYS A 36 -13.162 4.692 2.885 1.00 0.21 N ATOM 520 CA LYS A 36 -11.855 5.337 2.891 1.00 0.25 C ATOM 521 C LYS A 36 -11.192 5.220 4.258 1.00 0.25 C ATOM 522 O LYS A 36 -9.965 5.218 4.367 1.00 0.33 O ATOM 523 CB LYS A 36 -11.996 6.813 2.510 1.00 0.28 C ATOM 524 CG LYS A 36 -12.059 7.055 1.010 1.00 0.53 C ATOM 525 CD LYS A 36 -12.982 8.215 0.674 1.00 0.56 C ATOM 526 CE LYS A 36 -12.434 9.532 1.201 1.00 1.14 C ATOM 527 NZ LYS A 36 -12.949 10.698 0.431 1.00 1.57 N ATOM 0 H LYS A 36 -13.946 5.332 2.757 1.00 0.21 H new ATOM 0 HA LYS A 36 -11.226 4.831 2.159 1.00 0.25 H new ATOM 0 HB2 LYS A 36 -12.899 7.213 2.972 1.00 0.28 H new ATOM 0 HB3 LYS A 36 -11.154 7.368 2.923 1.00 0.28 H new ATOM 0 HG2 LYS A 36 -11.058 7.263 0.631 1.00 0.53 H new ATOM 0 HG3 LYS A 36 -12.409 6.153 0.509 1.00 0.53 H new ATOM 0 HD2 LYS A 36 -13.110 8.279 -0.407 1.00 0.56 H new ATOM 0 HD3 LYS A 36 -13.968 8.033 1.101 1.00 0.56 H new ATOM 0 HE2 LYS A 36 -12.704 9.643 2.251 1.00 1.14 H new ATOM 0 HE3 LYS A 36 -11.345 9.517 1.152 1.00 1.14 H new ATOM 0 HZ1 LYS A 36 -12.551 11.576 0.822 1.00 1.57 H new ATOM 0 HZ2 LYS A 36 -12.670 10.606 -0.567 1.00 1.57 H new ATOM 0 HZ3 LYS A 36 -13.986 10.728 0.499 1.00 1.57 H new ATOM 541 N MET A 37 -12.010 5.135 5.303 1.00 0.22 N ATOM 542 CA MET A 37 -11.503 5.033 6.666 1.00 0.25 C ATOM 543 C MET A 37 -10.814 3.693 6.909 1.00 0.20 C ATOM 544 O MET A 37 -10.003 3.567 7.825 1.00 0.20 O ATOM 545 CB MET A 37 -12.642 5.219 7.670 1.00 0.31 C ATOM 546 CG MET A 37 -13.071 6.667 7.838 1.00 0.43 C ATOM 547 SD MET A 37 -13.531 7.062 9.536 1.00 1.22 S ATOM 548 CE MET A 37 -14.489 8.555 9.291 1.00 1.09 C ATOM 0 H MET A 37 -13.027 5.135 5.231 1.00 0.22 H new ATOM 0 HA MET A 37 -10.765 5.823 6.803 1.00 0.25 H new ATOM 0 HB2 MET A 37 -13.500 4.629 7.348 1.00 0.31 H new ATOM 0 HB3 MET A 37 -12.331 4.826 8.638 1.00 0.31 H new ATOM 0 HG2 MET A 37 -12.258 7.322 7.524 1.00 0.43 H new ATOM 0 HG3 MET A 37 -13.916 6.870 7.180 1.00 0.43 H new ATOM 0 HE1 MET A 37 -14.844 8.922 10.254 1.00 1.09 H new ATOM 0 HE2 MET A 37 -13.865 9.315 8.821 1.00 1.09 H new ATOM 0 HE3 MET A 37 -15.342 8.338 8.648 1.00 1.09 H new ATOM 558 N ILE A 38 -11.128 2.694 6.087 1.00 0.18 N ATOM 559 CA ILE A 38 -10.522 1.374 6.234 1.00 0.17 C ATOM 560 C ILE A 38 -9.203 1.286 5.471 1.00 0.15 C ATOM 561 O ILE A 38 -8.344 0.463 5.791 1.00 0.16 O ATOM 562 CB ILE A 38 -11.465 0.266 5.724 1.00 0.19 C ATOM 563 CG1 ILE A 38 -12.850 0.402 6.371 1.00 0.23 C ATOM 564 CG2 ILE A 38 -10.869 -1.109 5.996 1.00 0.20 C ATOM 565 CD1 ILE A 38 -12.918 -0.117 7.793 1.00 0.29 C ATOM 0 H ILE A 38 -11.793 2.773 5.318 1.00 0.18 H new ATOM 0 HA ILE A 38 -10.336 1.228 7.298 1.00 0.17 H new ATOM 0 HB ILE A 38 -11.581 0.377 4.646 1.00 0.19 H new ATOM 0 HG12 ILE A 38 -13.142 1.452 6.364 1.00 0.23 H new ATOM 0 HG13 ILE A 38 -13.578 -0.135 5.763 1.00 0.23 H new ATOM 0 HG21 ILE A 38 -11.548 -1.879 5.629 1.00 0.20 H new ATOM 0 HG22 ILE A 38 -9.910 -1.198 5.485 1.00 0.20 H new ATOM 0 HG23 ILE A 38 -10.722 -1.236 7.068 1.00 0.20 H new ATOM 0 HD11 ILE A 38 -13.928 0.014 8.180 1.00 0.29 H new ATOM 0 HD12 ILE A 38 -12.659 -1.176 7.807 1.00 0.29 H new ATOM 0 HD13 ILE A 38 -12.216 0.437 8.416 1.00 0.29 H new ATOM 577 N LYS A 39 -9.046 2.138 4.461 1.00 0.16 N ATOM 578 CA LYS A 39 -7.830 2.156 3.655 1.00 0.17 C ATOM 579 C LYS A 39 -6.589 2.239 4.541 1.00 0.17 C ATOM 580 O LYS A 39 -5.690 1.403 4.443 1.00 0.19 O ATOM 581 CB LYS A 39 -7.858 3.331 2.675 1.00 0.21 C ATOM 582 CG LYS A 39 -8.219 2.927 1.255 1.00 0.47 C ATOM 583 CD LYS A 39 -8.295 4.133 0.334 1.00 0.68 C ATOM 584 CE LYS A 39 -8.143 3.730 -1.124 1.00 1.27 C ATOM 585 NZ LYS A 39 -8.258 4.900 -2.037 1.00 1.87 N ATOM 0 H LYS A 39 -9.746 2.825 4.182 1.00 0.16 H new ATOM 0 HA LYS A 39 -7.785 1.225 3.089 1.00 0.17 H new ATOM 0 HB2 LYS A 39 -8.576 4.071 3.028 1.00 0.21 H new ATOM 0 HB3 LYS A 39 -6.880 3.813 2.670 1.00 0.21 H new ATOM 0 HG2 LYS A 39 -7.477 2.225 0.876 1.00 0.47 H new ATOM 0 HG3 LYS A 39 -9.177 2.408 1.256 1.00 0.47 H new ATOM 0 HD2 LYS A 39 -9.249 4.640 0.475 1.00 0.68 H new ATOM 0 HD3 LYS A 39 -7.513 4.845 0.599 1.00 0.68 H new ATOM 0 HE2 LYS A 39 -7.175 3.250 -1.269 1.00 1.27 H new ATOM 0 HE3 LYS A 39 -8.906 2.994 -1.379 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 -8.149 4.584 -3.022 1.00 1.87 H new ATOM 0 HZ2 LYS A 39 -9.191 5.344 -1.917 1.00 1.87 H new ATOM 0 HZ3 LYS A 39 -7.515 5.591 -1.811 1.00 1.87 H new ATOM 599 N PRO A 40 -6.524 3.251 5.424 1.00 0.19 N ATOM 600 CA PRO A 40 -5.388 3.437 6.329 1.00 0.20 C ATOM 601 C PRO A 40 -5.001 2.151 7.051 1.00 0.17 C ATOM 602 O PRO A 40 -3.824 1.795 7.113 1.00 0.18 O ATOM 603 CB PRO A 40 -5.898 4.475 7.327 1.00 0.25 C ATOM 604 CG PRO A 40 -6.913 5.258 6.569 1.00 0.32 C ATOM 605 CD PRO A 40 -7.555 4.293 5.609 1.00 0.25 C ATOM 0 HA PRO A 40 -4.489 3.743 5.794 1.00 0.20 H new ATOM 0 HB2 PRO A 40 -6.338 3.999 8.204 1.00 0.25 H new ATOM 0 HB3 PRO A 40 -5.089 5.114 7.683 1.00 0.25 H new ATOM 0 HG2 PRO A 40 -7.654 5.689 7.242 1.00 0.32 H new ATOM 0 HG3 PRO A 40 -6.447 6.086 6.035 1.00 0.32 H new ATOM 0 HD2 PRO A 40 -8.477 3.877 6.015 1.00 0.25 H new ATOM 0 HD3 PRO A 40 -7.811 4.776 4.666 1.00 0.25 H new ATOM 613 N PHE A 41 -5.991 1.466 7.615 1.00 0.16 N ATOM 614 CA PHE A 41 -5.737 0.235 8.359 1.00 0.16 C ATOM 615 C PHE A 41 -5.512 -0.945 7.425 1.00 0.14 C ATOM 616 O PHE A 41 -4.796 -1.884 7.771 1.00 0.14 O ATOM 617 CB PHE A 41 -6.915 -0.082 9.276 1.00 0.20 C ATOM 618 CG PHE A 41 -7.389 1.085 10.096 1.00 0.22 C ATOM 619 CD1 PHE A 41 -6.514 1.773 10.922 1.00 0.25 C ATOM 620 CD2 PHE A 41 -8.711 1.493 10.039 1.00 0.25 C ATOM 621 CE1 PHE A 41 -6.951 2.846 11.673 1.00 0.29 C ATOM 622 CE2 PHE A 41 -9.153 2.565 10.788 1.00 0.29 C ATOM 623 CZ PHE A 41 -8.272 3.243 11.606 1.00 0.29 C ATOM 0 H PHE A 41 -6.973 1.740 7.572 1.00 0.16 H new ATOM 0 HA PHE A 41 -4.835 0.394 8.950 1.00 0.16 H new ATOM 0 HB2 PHE A 41 -7.745 -0.447 8.670 1.00 0.20 H new ATOM 0 HB3 PHE A 41 -6.630 -0.892 9.948 1.00 0.20 H new ATOM 0 HD1 PHE A 41 -5.480 1.467 10.979 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -9.405 0.966 9.401 1.00 0.25 H new ATOM 0 HE1 PHE A 41 -6.260 3.375 12.313 1.00 0.29 H new ATOM 0 HE2 PHE A 41 -10.187 2.873 10.734 1.00 0.29 H new ATOM 0 HZ PHE A 41 -8.615 4.082 12.193 1.00 0.29 H new ATOM 633 N PHE A 42 -6.108 -0.899 6.241 1.00 0.14 N ATOM 634 CA PHE A 42 -5.939 -1.974 5.277 1.00 0.13 C ATOM 635 C PHE A 42 -4.509 -1.996 4.761 1.00 0.12 C ATOM 636 O PHE A 42 -3.868 -3.044 4.711 1.00 0.12 O ATOM 637 CB PHE A 42 -6.913 -1.810 4.108 1.00 0.16 C ATOM 638 CG PHE A 42 -7.321 -3.113 3.481 1.00 0.18 C ATOM 639 CD1 PHE A 42 -8.139 -3.999 4.164 1.00 0.21 C ATOM 640 CD2 PHE A 42 -6.885 -3.455 2.208 1.00 0.20 C ATOM 641 CE1 PHE A 42 -8.517 -5.198 3.593 1.00 0.24 C ATOM 642 CE2 PHE A 42 -7.261 -4.654 1.632 1.00 0.24 C ATOM 643 CZ PHE A 42 -8.078 -5.526 2.324 1.00 0.25 C ATOM 0 H PHE A 42 -6.707 -0.135 5.928 1.00 0.14 H new ATOM 0 HA PHE A 42 -6.152 -2.919 5.777 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -7.804 -1.290 4.458 1.00 0.16 H new ATOM 0 HB3 PHE A 42 -6.453 -1.178 3.348 1.00 0.16 H new ATOM 0 HD1 PHE A 42 -8.485 -3.748 5.156 1.00 0.21 H new ATOM 0 HD2 PHE A 42 -6.245 -2.777 1.662 1.00 0.20 H new ATOM 0 HE1 PHE A 42 -9.155 -5.879 4.137 1.00 0.24 H new ATOM 0 HE2 PHE A 42 -6.916 -4.909 0.641 1.00 0.24 H new ATOM 0 HZ PHE A 42 -8.373 -6.463 1.875 1.00 0.25 H new ATOM 653 N HIS A 43 -4.018 -0.826 4.375 1.00 0.13 N ATOM 654 CA HIS A 43 -2.664 -0.706 3.849 1.00 0.13 C ATOM 655 C HIS A 43 -1.618 -0.999 4.923 1.00 0.13 C ATOM 656 O HIS A 43 -0.622 -1.670 4.653 1.00 0.14 O ATOM 657 CB HIS A 43 -2.437 0.684 3.254 1.00 0.14 C ATOM 658 CG HIS A 43 -1.759 0.648 1.917 1.00 0.16 C ATOM 659 ND1 HIS A 43 -2.333 1.095 0.748 1.00 0.30 N ATOM 660 CD2 HIS A 43 -0.526 0.196 1.577 1.00 0.24 C ATOM 661 CE1 HIS A 43 -1.450 0.905 -0.242 1.00 0.30 C ATOM 662 NE2 HIS A 43 -0.337 0.364 0.210 1.00 0.25 N ATOM 0 H HIS A 43 -4.535 0.052 4.416 1.00 0.13 H new ATOM 0 HA HIS A 43 -2.552 -1.449 3.059 1.00 0.13 H new ATOM 0 HB2 HIS A 43 -3.397 1.191 3.155 1.00 0.14 H new ATOM 0 HB3 HIS A 43 -1.835 1.274 3.944 1.00 0.14 H new ATOM 0 HD2 HIS A 43 0.195 -0.228 2.260 1.00 0.24 H new ATOM 0 HE1 HIS A 43 -1.628 1.162 -1.276 1.00 0.30 H new ATOM 0 HE2 HIS A 43 0.492 0.119 -0.331 1.00 0.25 H new ATOM 670 N SER A 44 -1.836 -0.499 6.138 1.00 0.13 N ATOM 671 CA SER A 44 -0.890 -0.724 7.227 1.00 0.13 C ATOM 672 C SER A 44 -0.719 -2.215 7.497 1.00 0.12 C ATOM 673 O SER A 44 0.401 -2.702 7.658 1.00 0.13 O ATOM 674 CB SER A 44 -1.364 -0.012 8.497 1.00 0.14 C ATOM 675 OG SER A 44 -0.270 0.328 9.331 1.00 1.12 O ATOM 0 H SER A 44 -2.651 0.059 6.391 1.00 0.13 H new ATOM 0 HA SER A 44 0.075 -0.314 6.929 1.00 0.13 H new ATOM 0 HB2 SER A 44 -1.914 0.890 8.228 1.00 0.14 H new ATOM 0 HB3 SER A 44 -2.054 -0.656 9.042 1.00 0.14 H new ATOM 0 HG SER A 44 -0.600 0.783 10.134 1.00 1.12 H new ATOM 681 N LEU A 45 -1.831 -2.942 7.539 1.00 0.11 N ATOM 682 CA LEU A 45 -1.782 -4.377 7.785 1.00 0.11 C ATOM 683 C LEU A 45 -0.950 -5.057 6.707 1.00 0.12 C ATOM 684 O LEU A 45 -0.163 -5.960 6.990 1.00 0.13 O ATOM 685 CB LEU A 45 -3.193 -4.972 7.809 1.00 0.12 C ATOM 686 CG LEU A 45 -4.019 -4.632 9.051 1.00 0.14 C ATOM 687 CD1 LEU A 45 -5.506 -4.724 8.743 1.00 0.18 C ATOM 688 CD2 LEU A 45 -3.653 -5.557 10.202 1.00 0.20 C ATOM 0 H LEU A 45 -2.769 -2.564 7.407 1.00 0.11 H new ATOM 0 HA LEU A 45 -1.321 -4.546 8.758 1.00 0.11 H new ATOM 0 HB2 LEU A 45 -3.732 -4.625 6.927 1.00 0.12 H new ATOM 0 HB3 LEU A 45 -3.115 -6.056 7.729 1.00 0.12 H new ATOM 0 HG LEU A 45 -3.793 -3.608 9.347 1.00 0.14 H new ATOM 0 HD11 LEU A 45 -6.079 -4.479 9.638 1.00 0.18 H new ATOM 0 HD12 LEU A 45 -5.757 -4.022 7.948 1.00 0.18 H new ATOM 0 HD13 LEU A 45 -5.749 -5.737 8.423 1.00 0.18 H new ATOM 0 HD21 LEU A 45 -4.250 -5.302 11.078 1.00 0.20 H new ATOM 0 HD22 LEU A 45 -3.852 -6.590 9.916 1.00 0.20 H new ATOM 0 HD23 LEU A 45 -2.595 -5.443 10.438 1.00 0.20 H new ATOM 700 N SER A 46 -1.121 -4.607 5.469 1.00 0.12 N ATOM 701 CA SER A 46 -0.380 -5.158 4.343 1.00 0.14 C ATOM 702 C SER A 46 1.124 -5.120 4.603 1.00 0.15 C ATOM 703 O SER A 46 1.870 -5.953 4.088 1.00 0.18 O ATOM 704 CB SER A 46 -0.705 -4.381 3.066 1.00 0.16 C ATOM 705 OG SER A 46 -0.041 -4.938 1.945 1.00 1.24 O ATOM 0 H SER A 46 -1.769 -3.859 5.220 1.00 0.12 H new ATOM 0 HA SER A 46 -0.681 -6.198 4.219 1.00 0.14 H new ATOM 0 HB2 SER A 46 -1.782 -4.390 2.896 1.00 0.16 H new ATOM 0 HB3 SER A 46 -0.410 -3.339 3.186 1.00 0.16 H new ATOM 0 HG SER A 46 0.286 -4.217 1.367 1.00 1.24 H new ATOM 711 N GLU A 47 1.567 -4.156 5.411 1.00 0.16 N ATOM 712 CA GLU A 47 2.984 -4.024 5.737 1.00 0.19 C ATOM 713 C GLU A 47 3.356 -4.872 6.952 1.00 0.19 C ATOM 714 O GLU A 47 4.531 -5.163 7.178 1.00 0.24 O ATOM 715 CB GLU A 47 3.337 -2.559 5.999 1.00 0.22 C ATOM 716 CG GLU A 47 3.801 -1.810 4.760 1.00 0.96 C ATOM 717 CD GLU A 47 4.151 -0.364 5.056 1.00 1.42 C ATOM 718 OE1 GLU A 47 4.689 -0.097 6.151 1.00 2.14 O ATOM 719 OE2 GLU A 47 3.885 0.500 4.195 1.00 1.95 O ATOM 0 H GLU A 47 0.966 -3.458 5.849 1.00 0.16 H new ATOM 0 HA GLU A 47 3.555 -4.384 4.881 1.00 0.19 H new ATOM 0 HB2 GLU A 47 2.465 -2.053 6.413 1.00 0.22 H new ATOM 0 HB3 GLU A 47 4.121 -2.513 6.755 1.00 0.22 H new ATOM 0 HG2 GLU A 47 4.672 -2.313 4.339 1.00 0.96 H new ATOM 0 HG3 GLU A 47 3.017 -1.844 4.003 1.00 0.96 H new ATOM 726 N LYS A 48 2.350 -5.274 7.723 1.00 0.18 N ATOM 727 CA LYS A 48 2.580 -6.098 8.906 1.00 0.23 C ATOM 728 C LYS A 48 2.389 -7.572 8.559 1.00 0.28 C ATOM 729 O LYS A 48 2.900 -8.457 9.246 1.00 0.50 O ATOM 730 CB LYS A 48 1.617 -5.704 10.030 1.00 0.25 C ATOM 731 CG LYS A 48 2.057 -6.183 11.406 1.00 0.32 C ATOM 732 CD LYS A 48 0.901 -6.186 12.395 1.00 0.43 C ATOM 733 CE LYS A 48 0.252 -7.558 12.488 1.00 0.85 C ATOM 734 NZ LYS A 48 0.766 -8.341 13.646 1.00 1.27 N ATOM 0 H LYS A 48 1.371 -5.044 7.551 1.00 0.18 H new ATOM 0 HA LYS A 48 3.603 -5.936 9.247 1.00 0.23 H new ATOM 0 HB2 LYS A 48 1.517 -4.619 10.047 1.00 0.25 H new ATOM 0 HB3 LYS A 48 0.630 -6.112 9.811 1.00 0.25 H new ATOM 0 HG2 LYS A 48 2.471 -7.188 11.327 1.00 0.32 H new ATOM 0 HG3 LYS A 48 2.853 -5.539 11.779 1.00 0.32 H new ATOM 0 HD2 LYS A 48 1.261 -5.885 13.379 1.00 0.43 H new ATOM 0 HD3 LYS A 48 0.157 -5.450 12.089 1.00 0.43 H new ATOM 0 HE2 LYS A 48 -0.828 -7.443 12.579 1.00 0.85 H new ATOM 0 HE3 LYS A 48 0.437 -8.110 11.566 1.00 0.85 H new ATOM 0 HZ1 LYS A 48 0.298 -9.269 13.673 1.00 1.27 H new ATOM 0 HZ2 LYS A 48 1.793 -8.474 13.547 1.00 1.27 H new ATOM 0 HZ3 LYS A 48 0.567 -7.827 14.528 1.00 1.27 H new ATOM 748 N TYR A 49 1.654 -7.818 7.478 1.00 0.15 N ATOM 749 CA TYR A 49 1.389 -9.172 7.017 1.00 0.19 C ATOM 750 C TYR A 49 2.329 -9.547 5.878 1.00 0.28 C ATOM 751 O TYR A 49 2.038 -9.289 4.710 1.00 0.71 O ATOM 752 CB TYR A 49 -0.061 -9.286 6.555 1.00 0.15 C ATOM 753 CG TYR A 49 -1.016 -9.628 7.675 1.00 0.12 C ATOM 754 CD1 TYR A 49 -1.444 -8.654 8.567 1.00 0.12 C ATOM 755 CD2 TYR A 49 -1.484 -10.926 7.846 1.00 0.19 C ATOM 756 CE1 TYR A 49 -2.311 -8.962 9.598 1.00 0.16 C ATOM 757 CE2 TYR A 49 -2.350 -11.242 8.874 1.00 0.25 C ATOM 758 CZ TYR A 49 -2.761 -10.256 9.748 1.00 0.23 C ATOM 759 OH TYR A 49 -3.624 -10.564 10.774 1.00 0.31 O ATOM 0 H TYR A 49 1.230 -7.090 6.903 1.00 0.15 H new ATOM 0 HA TYR A 49 1.559 -9.860 7.845 1.00 0.19 H new ATOM 0 HB2 TYR A 49 -0.366 -8.343 6.101 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -0.130 -10.050 5.781 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -1.094 -7.639 8.453 1.00 0.12 H new ATOM 0 HD2 TYR A 49 -1.165 -11.700 7.164 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -2.634 -8.192 10.283 1.00 0.16 H new ATOM 0 HE2 TYR A 49 -2.704 -12.255 8.994 1.00 0.25 H new ATOM 0 HH TYR A 49 -3.846 -11.518 10.739 1.00 0.31 H new ATOM 769 N SER A 50 3.457 -10.155 6.227 1.00 0.26 N ATOM 770 CA SER A 50 4.448 -10.564 5.239 1.00 0.26 C ATOM 771 C SER A 50 4.105 -11.925 4.636 1.00 0.25 C ATOM 772 O SER A 50 4.979 -12.780 4.496 1.00 0.28 O ATOM 773 CB SER A 50 5.834 -10.623 5.885 1.00 0.31 C ATOM 774 OG SER A 50 6.855 -10.343 4.943 1.00 1.16 O ATOM 0 H SER A 50 3.708 -10.376 7.190 1.00 0.26 H new ATOM 0 HA SER A 50 4.446 -9.826 4.437 1.00 0.26 H new ATOM 0 HB2 SER A 50 5.886 -9.906 6.704 1.00 0.31 H new ATOM 0 HB3 SER A 50 5.995 -11.611 6.315 1.00 0.31 H new ATOM 0 HG SER A 50 7.729 -10.386 5.385 1.00 1.16 H new ATOM 780 N ASN A 51 2.846 -12.121 4.247 1.00 0.23 N ATOM 781 CA ASN A 51 2.438 -13.377 3.631 1.00 0.25 C ATOM 782 C ASN A 51 1.173 -13.216 2.789 1.00 0.24 C ATOM 783 O ASN A 51 1.028 -13.859 1.749 1.00 0.39 O ATOM 784 CB ASN A 51 2.238 -14.472 4.679 1.00 0.28 C ATOM 785 CG ASN A 51 2.570 -15.842 4.122 1.00 0.43 C ATOM 786 OD1 ASN A 51 3.227 -15.958 3.087 1.00 1.05 O ATOM 787 ND2 ASN A 51 2.120 -16.890 4.799 1.00 0.55 N ATOM 0 H ASN A 51 2.100 -11.433 4.347 1.00 0.23 H new ATOM 0 HA ASN A 51 3.248 -13.677 2.966 1.00 0.25 H new ATOM 0 HB2 ASN A 51 2.868 -14.268 5.545 1.00 0.28 H new ATOM 0 HB3 ASN A 51 1.205 -14.460 5.027 1.00 0.28 H new ATOM 0 HD21 ASN A 51 2.315 -17.834 4.466 1.00 0.55 H new ATOM 0 HD22 ASN A 51 1.579 -16.752 5.653 1.00 0.55 H new ATOM 794 N VAL A 52 0.253 -12.371 3.245 1.00 0.20 N ATOM 795 CA VAL A 52 -0.999 -12.153 2.527 1.00 0.18 C ATOM 796 C VAL A 52 -0.880 -10.985 1.553 1.00 0.16 C ATOM 797 O VAL A 52 -0.028 -10.112 1.720 1.00 0.17 O ATOM 798 CB VAL A 52 -2.162 -11.849 3.495 1.00 0.17 C ATOM 799 CG1 VAL A 52 -2.236 -12.879 4.612 1.00 0.19 C ATOM 800 CG2 VAL A 52 -2.020 -10.449 4.063 1.00 0.18 C ATOM 0 H VAL A 52 0.350 -11.829 4.103 1.00 0.20 H new ATOM 0 HA VAL A 52 -1.205 -13.074 1.982 1.00 0.18 H new ATOM 0 HB VAL A 52 -3.094 -11.906 2.933 1.00 0.17 H new ATOM 0 HG11 VAL A 52 -3.065 -12.636 5.276 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -2.392 -13.869 4.184 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -1.304 -12.870 5.177 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -2.847 -10.247 4.744 1.00 0.18 H new ATOM 0 HG22 VAL A 52 -1.077 -10.370 4.603 1.00 0.18 H new ATOM 0 HG23 VAL A 52 -2.034 -9.723 3.250 1.00 0.18 H new ATOM 810 N ILE A 53 -1.737 -10.974 0.535 1.00 0.15 N ATOM 811 CA ILE A 53 -1.727 -9.908 -0.461 1.00 0.15 C ATOM 812 C ILE A 53 -2.898 -8.947 -0.251 1.00 0.15 C ATOM 813 O ILE A 53 -4.064 -9.329 -0.356 1.00 0.14 O ATOM 814 CB ILE A 53 -1.752 -10.498 -1.902 1.00 0.14 C ATOM 815 CG1 ILE A 53 -1.020 -9.579 -2.882 1.00 0.22 C ATOM 816 CG2 ILE A 53 -3.174 -10.756 -2.388 1.00 0.24 C ATOM 817 CD1 ILE A 53 0.455 -9.888 -3.011 1.00 0.34 C ATOM 0 H ILE A 53 -2.446 -11.691 0.379 1.00 0.15 H new ATOM 0 HA ILE A 53 -0.803 -9.344 -0.338 1.00 0.15 H new ATOM 0 HB ILE A 53 -1.234 -11.456 -1.862 1.00 0.14 H new ATOM 0 HG12 ILE A 53 -1.488 -9.661 -3.863 1.00 0.22 H new ATOM 0 HG13 ILE A 53 -1.140 -8.545 -2.557 1.00 0.22 H new ATOM 0 HG21 ILE A 53 -3.145 -11.167 -3.397 1.00 0.24 H new ATOM 0 HG22 ILE A 53 -3.663 -11.466 -1.721 1.00 0.24 H new ATOM 0 HG23 ILE A 53 -3.732 -9.820 -2.394 1.00 0.24 H new ATOM 0 HD11 ILE A 53 0.910 -9.198 -3.722 1.00 0.34 H new ATOM 0 HD12 ILE A 53 0.936 -9.778 -2.039 1.00 0.34 H new ATOM 0 HD13 ILE A 53 0.583 -10.911 -3.365 1.00 0.34 H new ATOM 829 N PHE A 54 -2.571 -7.691 0.049 1.00 0.18 N ATOM 830 CA PHE A 54 -3.577 -6.659 0.271 1.00 0.18 C ATOM 831 C PHE A 54 -3.749 -5.821 -0.973 1.00 0.18 C ATOM 832 O PHE A 54 -2.820 -5.144 -1.402 1.00 0.20 O ATOM 833 CB PHE A 54 -3.173 -5.726 1.405 1.00 0.19 C ATOM 834 CG PHE A 54 -3.618 -6.171 2.766 1.00 0.19 C ATOM 835 CD1 PHE A 54 -3.214 -7.384 3.296 1.00 0.23 C ATOM 836 CD2 PHE A 54 -4.454 -5.363 3.516 1.00 0.22 C ATOM 837 CE1 PHE A 54 -3.641 -7.779 4.553 1.00 0.24 C ATOM 838 CE2 PHE A 54 -4.881 -5.752 4.768 1.00 0.22 C ATOM 839 CZ PHE A 54 -4.474 -6.962 5.287 1.00 0.20 C ATOM 0 H PHE A 54 -1.609 -7.364 0.144 1.00 0.18 H new ATOM 0 HA PHE A 54 -4.507 -7.167 0.527 1.00 0.18 H new ATOM 0 HB2 PHE A 54 -2.088 -5.626 1.407 1.00 0.19 H new ATOM 0 HB3 PHE A 54 -3.584 -4.736 1.208 1.00 0.19 H new ATOM 0 HD1 PHE A 54 -2.561 -8.027 2.725 1.00 0.23 H new ATOM 0 HD2 PHE A 54 -4.777 -4.414 3.115 1.00 0.22 H new ATOM 0 HE1 PHE A 54 -3.321 -8.728 4.958 1.00 0.24 H new ATOM 0 HE2 PHE A 54 -5.533 -5.110 5.341 1.00 0.22 H new ATOM 0 HZ PHE A 54 -4.807 -7.270 6.267 1.00 0.20 H new ATOM 849 N LEU A 55 -4.933 -5.851 -1.543 1.00 0.16 N ATOM 850 CA LEU A 55 -5.196 -5.079 -2.729 1.00 0.16 C ATOM 851 C LEU A 55 -6.511 -4.326 -2.604 1.00 0.13 C ATOM 852 O LEU A 55 -7.274 -4.546 -1.666 1.00 0.13 O ATOM 853 CB LEU A 55 -5.201 -5.978 -3.945 1.00 0.14 C ATOM 854 CG LEU A 55 -6.543 -6.561 -4.292 1.00 0.14 C ATOM 855 CD1 LEU A 55 -7.319 -5.573 -5.123 1.00 0.35 C ATOM 856 CD2 LEU A 55 -6.371 -7.888 -5.010 1.00 0.15 C ATOM 0 H LEU A 55 -5.723 -6.400 -1.204 1.00 0.16 H new ATOM 0 HA LEU A 55 -4.401 -4.342 -2.847 1.00 0.16 H new ATOM 0 HB2 LEU A 55 -4.835 -5.411 -4.801 1.00 0.14 H new ATOM 0 HB3 LEU A 55 -4.498 -6.794 -3.779 1.00 0.14 H new ATOM 0 HG LEU A 55 -7.107 -6.756 -3.380 1.00 0.14 H new ATOM 0 HD11 LEU A 55 -8.292 -5.995 -5.375 1.00 0.35 H new ATOM 0 HD12 LEU A 55 -7.458 -4.652 -4.557 1.00 0.35 H new ATOM 0 HD13 LEU A 55 -6.769 -5.357 -6.039 1.00 0.35 H new ATOM 0 HD21 LEU A 55 -7.350 -8.299 -5.255 1.00 0.15 H new ATOM 0 HD22 LEU A 55 -5.802 -7.734 -5.927 1.00 0.15 H new ATOM 0 HD23 LEU A 55 -5.837 -8.585 -4.364 1.00 0.15 H new ATOM 868 N GLU A 56 -6.765 -3.419 -3.537 1.00 0.13 N ATOM 869 CA GLU A 56 -7.983 -2.625 -3.492 1.00 0.13 C ATOM 870 C GLU A 56 -8.845 -2.775 -4.730 1.00 0.11 C ATOM 871 O GLU A 56 -8.394 -2.542 -5.849 1.00 0.10 O ATOM 872 CB GLU A 56 -7.621 -1.167 -3.354 1.00 0.19 C ATOM 873 CG GLU A 56 -8.627 -0.361 -2.548 1.00 0.27 C ATOM 874 CD GLU A 56 -8.056 0.138 -1.236 1.00 1.04 C ATOM 875 OE1 GLU A 56 -6.854 0.475 -1.203 1.00 1.82 O ATOM 876 OE2 GLU A 56 -8.813 0.195 -0.246 1.00 1.77 O ATOM 0 H GLU A 56 -6.151 -3.217 -4.326 1.00 0.13 H new ATOM 0 HA GLU A 56 -8.557 -2.988 -2.639 1.00 0.13 H new ATOM 0 HB2 GLU A 56 -6.643 -1.088 -2.880 1.00 0.19 H new ATOM 0 HB3 GLU A 56 -7.530 -0.729 -4.348 1.00 0.19 H new ATOM 0 HG2 GLU A 56 -8.964 0.490 -3.140 1.00 0.27 H new ATOM 0 HG3 GLU A 56 -9.504 -0.977 -2.348 1.00 0.27 H new ATOM 883 N VAL A 57 -10.096 -3.143 -4.515 1.00 0.11 N ATOM 884 CA VAL A 57 -11.037 -3.298 -5.607 1.00 0.11 C ATOM 885 C VAL A 57 -12.121 -2.232 -5.549 1.00 0.12 C ATOM 886 O VAL A 57 -12.922 -2.192 -4.617 1.00 0.14 O ATOM 887 CB VAL A 57 -11.707 -4.676 -5.589 1.00 0.12 C ATOM 888 CG1 VAL A 57 -12.417 -4.912 -6.901 1.00 0.15 C ATOM 889 CG2 VAL A 57 -10.691 -5.776 -5.326 1.00 0.13 C ATOM 0 H VAL A 57 -10.483 -3.340 -3.592 1.00 0.11 H new ATOM 0 HA VAL A 57 -10.463 -3.193 -6.528 1.00 0.11 H new ATOM 0 HB VAL A 57 -12.435 -4.698 -4.778 1.00 0.12 H new ATOM 0 HG11 VAL A 57 -12.893 -5.893 -6.886 1.00 0.15 H new ATOM 0 HG12 VAL A 57 -13.175 -4.143 -7.048 1.00 0.15 H new ATOM 0 HG13 VAL A 57 -11.696 -4.871 -7.717 1.00 0.15 H new ATOM 0 HG21 VAL A 57 -11.195 -6.743 -5.319 1.00 0.13 H new ATOM 0 HG22 VAL A 57 -9.934 -5.767 -6.110 1.00 0.13 H new ATOM 0 HG23 VAL A 57 -10.215 -5.608 -4.360 1.00 0.13 H new ATOM 899 N ASP A 58 -12.138 -1.362 -6.550 1.00 0.12 N ATOM 900 CA ASP A 58 -13.125 -0.293 -6.610 1.00 0.14 C ATOM 901 C ASP A 58 -14.312 -0.737 -7.457 1.00 0.11 C ATOM 902 O ASP A 58 -14.168 -0.998 -8.652 1.00 0.12 O ATOM 903 CB ASP A 58 -12.491 0.971 -7.197 1.00 0.18 C ATOM 904 CG ASP A 58 -13.486 2.106 -7.354 1.00 1.04 C ATOM 905 OD1 ASP A 58 -14.466 2.149 -6.578 1.00 1.66 O ATOM 906 OD2 ASP A 58 -13.280 2.956 -8.243 1.00 1.90 O ATOM 0 H ASP A 58 -11.481 -1.376 -7.330 1.00 0.12 H new ATOM 0 HA ASP A 58 -13.476 -0.069 -5.603 1.00 0.14 H new ATOM 0 HB2 ASP A 58 -11.674 1.296 -6.553 1.00 0.18 H new ATOM 0 HB3 ASP A 58 -12.057 0.737 -8.169 1.00 0.18 H new ATOM 911 N VAL A 59 -15.478 -0.845 -6.826 1.00 0.11 N ATOM 912 CA VAL A 59 -16.678 -1.284 -7.527 1.00 0.12 C ATOM 913 C VAL A 59 -17.026 -0.353 -8.684 1.00 0.12 C ATOM 914 O VAL A 59 -17.731 -0.747 -9.612 1.00 0.14 O ATOM 915 CB VAL A 59 -17.884 -1.403 -6.569 1.00 0.14 C ATOM 916 CG1 VAL A 59 -18.290 -0.045 -6.025 1.00 0.15 C ATOM 917 CG2 VAL A 59 -19.060 -2.071 -7.263 1.00 0.19 C ATOM 0 H VAL A 59 -15.616 -0.636 -5.837 1.00 0.11 H new ATOM 0 HA VAL A 59 -16.458 -2.272 -7.932 1.00 0.12 H new ATOM 0 HB VAL A 59 -17.579 -2.026 -5.728 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -19.141 -0.161 -5.354 1.00 0.15 H new ATOM 0 HG12 VAL A 59 -17.455 0.393 -5.479 1.00 0.15 H new ATOM 0 HG13 VAL A 59 -18.566 0.610 -6.851 1.00 0.15 H new ATOM 0 HG21 VAL A 59 -19.898 -2.144 -6.570 1.00 0.19 H new ATOM 0 HG22 VAL A 59 -19.356 -1.478 -8.129 1.00 0.19 H new ATOM 0 HG23 VAL A 59 -18.770 -3.070 -7.589 1.00 0.19 H new ATOM 927 N ASP A 60 -16.521 0.874 -8.635 1.00 0.13 N ATOM 928 CA ASP A 60 -16.774 1.835 -9.699 1.00 0.15 C ATOM 929 C ASP A 60 -16.142 1.349 -11.000 1.00 0.16 C ATOM 930 O ASP A 60 -16.715 1.503 -12.077 1.00 0.19 O ATOM 931 CB ASP A 60 -16.215 3.210 -9.323 1.00 0.16 C ATOM 932 CG ASP A 60 -17.128 4.344 -9.746 1.00 0.36 C ATOM 933 OD1 ASP A 60 -18.318 4.322 -9.365 1.00 1.16 O ATOM 934 OD2 ASP A 60 -16.656 5.255 -10.460 1.00 1.03 O ATOM 0 H ASP A 60 -15.938 1.224 -7.875 1.00 0.13 H new ATOM 0 HA ASP A 60 -17.851 1.926 -9.839 1.00 0.15 H new ATOM 0 HB2 ASP A 60 -16.062 3.254 -8.245 1.00 0.16 H new ATOM 0 HB3 ASP A 60 -15.238 3.341 -9.789 1.00 0.16 H new ATOM 939 N ASP A 61 -14.957 0.763 -10.886 1.00 0.15 N ATOM 940 CA ASP A 61 -14.243 0.252 -12.055 1.00 0.18 C ATOM 941 C ASP A 61 -14.425 -1.257 -12.199 1.00 0.16 C ATOM 942 O ASP A 61 -14.568 -1.770 -13.311 1.00 0.22 O ATOM 943 CB ASP A 61 -12.760 0.599 -11.975 1.00 0.21 C ATOM 944 CG ASP A 61 -12.522 2.096 -11.974 1.00 0.38 C ATOM 945 OD1 ASP A 61 -12.541 2.700 -13.066 1.00 1.04 O ATOM 946 OD2 ASP A 61 -12.316 2.663 -10.880 1.00 1.31 O ATOM 0 H ASP A 61 -14.469 0.629 -10.000 1.00 0.15 H new ATOM 0 HA ASP A 61 -14.668 0.731 -12.937 1.00 0.18 H new ATOM 0 HB2 ASP A 61 -12.335 0.165 -11.070 1.00 0.21 H new ATOM 0 HB3 ASP A 61 -12.237 0.150 -12.820 1.00 0.21 H new ATOM 951 N ALA A 62 -14.411 -1.965 -11.072 1.00 0.12 N ATOM 952 CA ALA A 62 -14.575 -3.412 -11.079 1.00 0.13 C ATOM 953 C ALA A 62 -16.036 -3.803 -10.861 1.00 0.13 C ATOM 954 O ALA A 62 -16.351 -4.637 -10.009 1.00 0.13 O ATOM 955 CB ALA A 62 -13.688 -4.058 -10.026 1.00 0.16 C ATOM 0 H ALA A 62 -14.288 -1.559 -10.145 1.00 0.12 H new ATOM 0 HA ALA A 62 -14.271 -3.778 -12.060 1.00 0.13 H new ATOM 0 HB1 ALA A 62 -13.826 -5.139 -10.048 1.00 0.16 H new ATOM 0 HB2 ALA A 62 -12.645 -3.821 -10.234 1.00 0.16 H new ATOM 0 HB3 ALA A 62 -13.957 -3.678 -9.041 1.00 0.16 H new ATOM 961 N GLN A 63 -16.929 -3.196 -11.641 1.00 0.17 N ATOM 962 CA GLN A 63 -18.351 -3.490 -11.538 1.00 0.20 C ATOM 963 C GLN A 63 -18.686 -4.813 -12.222 1.00 0.20 C ATOM 964 O GLN A 63 -19.827 -5.262 -12.187 1.00 0.23 O ATOM 965 CB GLN A 63 -19.193 -2.364 -12.137 1.00 0.23 C ATOM 966 CG GLN A 63 -20.533 -2.194 -11.436 1.00 0.73 C ATOM 967 CD GLN A 63 -21.483 -1.280 -12.186 1.00 1.18 C ATOM 968 OE1 GLN A 63 -21.101 -0.198 -12.630 1.00 2.00 O ATOM 969 NE2 GLN A 63 -22.738 -1.704 -12.309 1.00 1.70 N ATOM 0 H GLN A 63 -16.691 -2.500 -12.348 1.00 0.17 H new ATOM 0 HA GLN A 63 -18.591 -3.574 -10.478 1.00 0.20 H new ATOM 0 HB2 GLN A 63 -18.636 -1.429 -12.078 1.00 0.23 H new ATOM 0 HB3 GLN A 63 -19.364 -2.567 -13.194 1.00 0.23 H new ATOM 0 HG2 GLN A 63 -20.999 -3.172 -11.313 1.00 0.73 H new ATOM 0 HG3 GLN A 63 -20.365 -1.793 -10.436 1.00 0.73 H new ATOM 0 HE21 GLN A 63 -23.011 -2.609 -11.925 1.00 1.70 H new ATOM 0 HE22 GLN A 63 -23.428 -1.124 -12.787 1.00 1.70 H new ATOM 978 N ASP A 64 -17.685 -5.435 -12.840 1.00 0.18 N ATOM 979 CA ASP A 64 -17.882 -6.707 -13.521 1.00 0.20 C ATOM 980 C ASP A 64 -17.582 -7.862 -12.574 1.00 0.17 C ATOM 981 O ASP A 64 -18.099 -8.964 -12.743 1.00 0.19 O ATOM 982 CB ASP A 64 -16.982 -6.793 -14.756 1.00 0.23 C ATOM 983 CG ASP A 64 -17.676 -6.313 -16.014 1.00 0.42 C ATOM 984 OD1 ASP A 64 -18.809 -6.767 -16.278 1.00 1.12 O ATOM 985 OD2 ASP A 64 -17.087 -5.482 -16.738 1.00 1.28 O ATOM 0 H ASP A 64 -16.731 -5.077 -12.882 1.00 0.18 H new ATOM 0 HA ASP A 64 -18.922 -6.774 -13.840 1.00 0.20 H new ATOM 0 HB2 ASP A 64 -16.085 -6.197 -14.590 1.00 0.23 H new ATOM 0 HB3 ASP A 64 -16.658 -7.825 -14.895 1.00 0.23 H new ATOM 990 N VAL A 65 -16.751 -7.596 -11.567 1.00 0.14 N ATOM 991 CA VAL A 65 -16.394 -8.609 -10.582 1.00 0.13 C ATOM 992 C VAL A 65 -17.466 -8.737 -9.500 1.00 0.12 C ATOM 993 O VAL A 65 -17.871 -9.844 -9.148 1.00 0.12 O ATOM 994 CB VAL A 65 -15.024 -8.318 -9.929 1.00 0.12 C ATOM 995 CG1 VAL A 65 -13.904 -8.607 -10.911 1.00 0.22 C ATOM 996 CG2 VAL A 65 -14.939 -6.881 -9.439 1.00 0.21 C ATOM 0 H VAL A 65 -16.314 -6.687 -11.414 1.00 0.14 H new ATOM 0 HA VAL A 65 -16.323 -9.555 -11.120 1.00 0.13 H new ATOM 0 HB VAL A 65 -14.917 -8.973 -9.064 1.00 0.12 H new ATOM 0 HG11 VAL A 65 -12.944 -8.398 -10.439 1.00 0.22 H new ATOM 0 HG12 VAL A 65 -13.942 -9.655 -11.208 1.00 0.22 H new ATOM 0 HG13 VAL A 65 -14.021 -7.976 -11.792 1.00 0.22 H new ATOM 0 HG21 VAL A 65 -13.963 -6.709 -8.985 1.00 0.21 H new ATOM 0 HG22 VAL A 65 -15.073 -6.201 -10.280 1.00 0.21 H new ATOM 0 HG23 VAL A 65 -15.720 -6.702 -8.700 1.00 0.21 H new ATOM 1006 N ALA A 66 -17.898 -7.603 -8.945 1.00 0.13 N ATOM 1007 CA ALA A 66 -18.896 -7.594 -7.872 1.00 0.14 C ATOM 1008 C ALA A 66 -20.124 -8.444 -8.194 1.00 0.14 C ATOM 1009 O ALA A 66 -20.494 -9.331 -7.423 1.00 0.17 O ATOM 1010 CB ALA A 66 -19.328 -6.161 -7.600 1.00 0.18 C ATOM 0 H ALA A 66 -17.572 -6.677 -9.221 1.00 0.13 H new ATOM 0 HA ALA A 66 -18.427 -8.032 -6.991 1.00 0.14 H new ATOM 0 HB1 ALA A 66 -20.071 -6.150 -6.802 1.00 0.18 H new ATOM 0 HB2 ALA A 66 -18.463 -5.571 -7.298 1.00 0.18 H new ATOM 0 HB3 ALA A 66 -19.761 -5.734 -8.504 1.00 0.18 H new ATOM 1016 N PRO A 67 -20.779 -8.177 -9.331 1.00 0.14 N ATOM 1017 CA PRO A 67 -21.979 -8.912 -9.751 1.00 0.16 C ATOM 1018 C PRO A 67 -21.783 -10.424 -9.753 1.00 0.17 C ATOM 1019 O PRO A 67 -22.734 -11.183 -9.571 1.00 0.19 O ATOM 1020 CB PRO A 67 -22.217 -8.406 -11.174 1.00 0.16 C ATOM 1021 CG PRO A 67 -21.624 -7.041 -11.176 1.00 0.30 C ATOM 1022 CD PRO A 67 -20.408 -7.134 -10.307 1.00 0.19 C ATOM 0 HA PRO A 67 -22.813 -8.743 -9.069 1.00 0.16 H new ATOM 0 HB2 PRO A 67 -21.738 -9.050 -11.912 1.00 0.16 H new ATOM 0 HB3 PRO A 67 -23.280 -8.380 -11.416 1.00 0.16 H new ATOM 0 HG2 PRO A 67 -21.362 -6.728 -12.187 1.00 0.30 H new ATOM 0 HG3 PRO A 67 -22.329 -6.306 -10.788 1.00 0.30 H new ATOM 0 HD2 PRO A 67 -19.523 -7.413 -10.879 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -20.186 -6.185 -9.819 1.00 0.19 H new ATOM 1030 N LYS A 68 -20.544 -10.852 -9.955 1.00 0.17 N ATOM 1031 CA LYS A 68 -20.219 -12.271 -9.979 1.00 0.21 C ATOM 1032 C LYS A 68 -20.159 -12.866 -8.572 1.00 0.21 C ATOM 1033 O LYS A 68 -20.282 -14.080 -8.402 1.00 0.25 O ATOM 1034 CB LYS A 68 -18.901 -12.496 -10.715 1.00 0.25 C ATOM 1035 CG LYS A 68 -19.082 -12.657 -12.215 1.00 0.49 C ATOM 1036 CD LYS A 68 -17.788 -12.415 -12.969 1.00 0.38 C ATOM 1037 CE LYS A 68 -17.806 -13.101 -14.325 1.00 0.59 C ATOM 1038 NZ LYS A 68 -17.140 -14.431 -14.277 1.00 1.36 N ATOM 0 H LYS A 68 -19.746 -10.235 -10.105 1.00 0.17 H new ATOM 0 HA LYS A 68 -21.018 -12.786 -10.513 1.00 0.21 H new ATOM 0 HB2 LYS A 68 -18.235 -11.655 -10.523 1.00 0.25 H new ATOM 0 HB3 LYS A 68 -18.415 -13.386 -10.315 1.00 0.25 H new ATOM 0 HG2 LYS A 68 -19.446 -13.661 -12.431 1.00 0.49 H new ATOM 0 HG3 LYS A 68 -19.843 -11.960 -12.566 1.00 0.49 H new ATOM 0 HD2 LYS A 68 -17.637 -11.344 -13.102 1.00 0.38 H new ATOM 0 HD3 LYS A 68 -16.947 -12.785 -12.382 1.00 0.38 H new ATOM 0 HE2 LYS A 68 -18.837 -13.222 -14.658 1.00 0.59 H new ATOM 0 HE3 LYS A 68 -17.306 -12.470 -15.059 1.00 0.59 H new ATOM 0 HZ1 LYS A 68 -17.171 -14.869 -15.220 1.00 1.36 H new ATOM 0 HZ2 LYS A 68 -16.149 -14.313 -13.983 1.00 1.36 H new ATOM 0 HZ3 LYS A 68 -17.633 -15.042 -13.595 1.00 1.36 H new ATOM 1052 N TYR A 69 -19.985 -12.010 -7.563 1.00 0.19 N ATOM 1053 CA TYR A 69 -19.922 -12.456 -6.166 1.00 0.20 C ATOM 1054 C TYR A 69 -21.190 -12.071 -5.410 1.00 0.21 C ATOM 1055 O TYR A 69 -21.384 -12.457 -4.258 1.00 0.24 O ATOM 1056 CB TYR A 69 -18.729 -11.822 -5.461 1.00 0.19 C ATOM 1057 CG TYR A 69 -17.390 -12.216 -6.038 1.00 0.16 C ATOM 1058 CD1 TYR A 69 -16.954 -13.535 -6.009 1.00 0.20 C ATOM 1059 CD2 TYR A 69 -16.566 -11.267 -6.628 1.00 0.20 C ATOM 1060 CE1 TYR A 69 -15.734 -13.894 -6.547 1.00 0.22 C ATOM 1061 CE2 TYR A 69 -15.343 -11.618 -7.167 1.00 0.20 C ATOM 1062 CZ TYR A 69 -14.935 -12.933 -7.127 1.00 0.19 C ATOM 1063 OH TYR A 69 -13.722 -13.290 -7.668 1.00 0.23 O ATOM 0 H TYR A 69 -19.885 -11.002 -7.686 1.00 0.19 H new ATOM 0 HA TYR A 69 -19.820 -13.541 -6.173 1.00 0.20 H new ATOM 0 HB2 TYR A 69 -18.828 -10.737 -5.508 1.00 0.19 H new ATOM 0 HB3 TYR A 69 -18.754 -12.099 -4.407 1.00 0.19 H new ATOM 0 HD1 TYR A 69 -17.579 -14.292 -5.558 1.00 0.20 H new ATOM 0 HD2 TYR A 69 -16.887 -10.236 -6.666 1.00 0.20 H new ATOM 0 HE1 TYR A 69 -15.408 -14.923 -6.513 1.00 0.22 H new ATOM 0 HE2 TYR A 69 -14.711 -10.866 -7.617 1.00 0.20 H new ATOM 0 HH TYR A 69 -13.045 -13.322 -6.960 1.00 0.23 H new ATOM 1073 N GLY A 70 -22.044 -11.319 -6.075 1.00 0.22 N ATOM 1074 CA GLY A 70 -23.289 -10.893 -5.474 1.00 0.26 C ATOM 1075 C GLY A 70 -23.086 -9.948 -4.305 1.00 0.23 C ATOM 1076 O GLY A 70 -23.824 -10.008 -3.323 1.00 0.25 O ATOM 0 H GLY A 70 -21.898 -10.992 -7.030 1.00 0.22 H new ATOM 0 HA2 GLY A 70 -23.902 -10.402 -6.230 1.00 0.26 H new ATOM 0 HA3 GLY A 70 -23.842 -11.769 -5.135 1.00 0.26 H new ATOM 1080 N ILE A 71 -22.098 -9.062 -4.406 1.00 0.20 N ATOM 1081 CA ILE A 71 -21.842 -8.103 -3.342 1.00 0.20 C ATOM 1082 C ILE A 71 -22.905 -7.010 -3.380 1.00 0.26 C ATOM 1083 O ILE A 71 -23.248 -6.507 -4.451 1.00 0.66 O ATOM 1084 CB ILE A 71 -20.438 -7.465 -3.457 1.00 0.18 C ATOM 1085 CG1 ILE A 71 -19.349 -8.542 -3.421 1.00 0.13 C ATOM 1086 CG2 ILE A 71 -20.217 -6.461 -2.333 1.00 0.23 C ATOM 1087 CD1 ILE A 71 -17.950 -7.996 -3.615 1.00 0.16 C ATOM 0 H ILE A 71 -21.469 -8.990 -5.206 1.00 0.20 H new ATOM 0 HA ILE A 71 -21.882 -8.640 -2.394 1.00 0.20 H new ATOM 0 HB ILE A 71 -20.379 -6.943 -4.412 1.00 0.18 H new ATOM 0 HG12 ILE A 71 -19.397 -9.064 -2.465 1.00 0.13 H new ATOM 0 HG13 ILE A 71 -19.553 -9.279 -4.197 1.00 0.13 H new ATOM 0 HG21 ILE A 71 -19.224 -6.021 -2.428 1.00 0.23 H new ATOM 0 HG22 ILE A 71 -20.970 -5.675 -2.394 1.00 0.23 H new ATOM 0 HG23 ILE A 71 -20.299 -6.968 -1.371 1.00 0.23 H new ATOM 0 HD11 ILE A 71 -17.231 -8.815 -3.578 1.00 0.16 H new ATOM 0 HD12 ILE A 71 -17.884 -7.499 -4.583 1.00 0.16 H new ATOM 0 HD13 ILE A 71 -17.726 -7.280 -2.824 1.00 0.16 H new ATOM 1099 N ARG A 72 -23.438 -6.659 -2.217 1.00 0.20 N ATOM 1100 CA ARG A 72 -24.477 -5.642 -2.134 1.00 0.20 C ATOM 1101 C ARG A 72 -24.368 -4.854 -0.829 1.00 0.22 C ATOM 1102 O ARG A 72 -25.301 -4.835 -0.026 1.00 0.20 O ATOM 1103 CB ARG A 72 -25.855 -6.304 -2.246 1.00 0.21 C ATOM 1104 CG ARG A 72 -27.025 -5.342 -2.106 1.00 0.25 C ATOM 1105 CD ARG A 72 -28.153 -5.698 -3.064 1.00 1.06 C ATOM 1106 NE ARG A 72 -29.113 -4.606 -3.208 1.00 1.53 N ATOM 1107 CZ ARG A 72 -30.187 -4.660 -3.994 1.00 2.13 C ATOM 1108 NH1 ARG A 72 -30.439 -5.747 -4.712 1.00 2.66 N ATOM 1109 NH2 ARG A 72 -31.006 -3.620 -4.068 1.00 2.76 N ATOM 0 H ARG A 72 -23.168 -7.063 -1.320 1.00 0.20 H new ATOM 0 HA ARG A 72 -24.347 -4.941 -2.959 1.00 0.20 H new ATOM 0 HB2 ARG A 72 -25.926 -6.806 -3.211 1.00 0.21 H new ATOM 0 HB3 ARG A 72 -25.939 -7.074 -1.479 1.00 0.21 H new ATOM 0 HG2 ARG A 72 -27.395 -5.364 -1.081 1.00 0.25 H new ATOM 0 HG3 ARG A 72 -26.687 -4.324 -2.301 1.00 0.25 H new ATOM 0 HD2 ARG A 72 -27.735 -5.945 -4.040 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -28.668 -6.588 -2.703 1.00 1.06 H new ATOM 0 HE ARG A 72 -28.951 -3.752 -2.675 1.00 1.53 H new ATOM 0 HH11 ARG A 72 -29.809 -6.547 -4.664 1.00 2.66 H new ATOM 0 HH12 ARG A 72 -31.263 -5.782 -5.312 1.00 2.66 H new ATOM 0 HH21 ARG A 72 -30.813 -2.779 -3.523 1.00 2.76 H new ATOM 0 HH22 ARG A 72 -31.829 -3.660 -4.670 1.00 2.76 H new ATOM 1123 N GLY A 73 -23.223 -4.204 -0.629 1.00 0.44 N ATOM 1124 CA GLY A 73 -23.021 -3.422 0.578 1.00 0.53 C ATOM 1125 C GLY A 73 -21.561 -3.133 0.868 1.00 0.53 C ATOM 1126 O GLY A 73 -20.772 -4.045 1.104 1.00 0.95 O ATOM 0 H GLY A 73 -22.436 -4.205 -1.278 1.00 0.44 H new ATOM 0 HA2 GLY A 73 -23.560 -2.479 0.486 1.00 0.53 H new ATOM 0 HA3 GLY A 73 -23.454 -3.955 1.425 1.00 0.53 H new ATOM 1130 N ILE A 74 -21.210 -1.849 0.870 1.00 0.27 N ATOM 1131 CA ILE A 74 -19.846 -1.413 1.154 1.00 0.23 C ATOM 1132 C ILE A 74 -19.781 -0.747 2.529 1.00 0.19 C ATOM 1133 O ILE A 74 -20.780 -0.209 3.005 1.00 0.24 O ATOM 1134 CB ILE A 74 -19.348 -0.414 0.088 1.00 0.36 C ATOM 1135 CG1 ILE A 74 -20.387 0.688 -0.123 1.00 0.48 C ATOM 1136 CG2 ILE A 74 -19.053 -1.130 -1.222 1.00 0.46 C ATOM 1137 CD1 ILE A 74 -19.945 1.771 -1.083 1.00 0.82 C ATOM 0 H ILE A 74 -21.859 -1.086 0.676 1.00 0.27 H new ATOM 0 HA ILE A 74 -19.206 -2.295 1.138 1.00 0.23 H new ATOM 0 HB ILE A 74 -18.422 0.041 0.441 1.00 0.36 H new ATOM 0 HG12 ILE A 74 -21.308 0.239 -0.496 1.00 0.48 H new ATOM 0 HG13 ILE A 74 -20.621 1.143 0.840 1.00 0.48 H new ATOM 0 HG21 ILE A 74 -18.703 -0.408 -1.960 1.00 0.46 H new ATOM 0 HG22 ILE A 74 -18.283 -1.884 -1.059 1.00 0.46 H new ATOM 0 HG23 ILE A 74 -19.961 -1.611 -1.586 1.00 0.46 H new ATOM 0 HD11 ILE A 74 -20.735 2.516 -1.180 1.00 0.82 H new ATOM 0 HD12 ILE A 74 -19.042 2.248 -0.703 1.00 0.82 H new ATOM 0 HD13 ILE A 74 -19.739 1.331 -2.059 1.00 0.82 H new ATOM 1149 N PRO A 75 -18.610 -0.769 3.195 1.00 0.15 N ATOM 1150 CA PRO A 75 -17.390 -1.395 2.680 1.00 0.13 C ATOM 1151 C PRO A 75 -17.356 -2.901 2.930 1.00 0.11 C ATOM 1152 O PRO A 75 -17.324 -3.347 4.079 1.00 0.15 O ATOM 1153 CB PRO A 75 -16.294 -0.703 3.490 1.00 0.16 C ATOM 1154 CG PRO A 75 -16.931 -0.411 4.805 1.00 0.44 C ATOM 1155 CD PRO A 75 -18.394 -0.167 4.527 1.00 0.19 C ATOM 0 HA PRO A 75 -17.293 -1.285 1.600 1.00 0.13 H new ATOM 0 HB2 PRO A 75 -15.421 -1.345 3.606 1.00 0.16 H new ATOM 0 HB3 PRO A 75 -15.956 0.211 3.001 1.00 0.16 H new ATOM 0 HG2 PRO A 75 -16.801 -1.246 5.493 1.00 0.44 H new ATOM 0 HG3 PRO A 75 -16.474 0.461 5.272 1.00 0.44 H new ATOM 0 HD2 PRO A 75 -19.027 -0.632 5.283 1.00 0.19 H new ATOM 0 HD3 PRO A 75 -18.628 0.898 4.527 1.00 0.19 H new ATOM 1163 N THR A 76 -17.361 -3.685 1.854 1.00 0.12 N ATOM 1164 CA THR A 76 -17.317 -5.140 1.969 1.00 0.11 C ATOM 1165 C THR A 76 -15.882 -5.652 2.011 1.00 0.11 C ATOM 1166 O THR A 76 -15.031 -5.210 1.240 1.00 0.13 O ATOM 1167 CB THR A 76 -18.044 -5.802 0.793 1.00 0.12 C ATOM 1168 OG1 THR A 76 -18.806 -4.856 0.072 1.00 0.20 O ATOM 1169 CG2 THR A 76 -18.971 -6.925 1.210 1.00 0.16 C ATOM 0 H THR A 76 -17.395 -3.338 0.895 1.00 0.12 H new ATOM 0 HA THR A 76 -17.816 -5.401 2.903 1.00 0.11 H new ATOM 0 HB THR A 76 -17.253 -6.223 0.172 1.00 0.12 H new ATOM 0 HG1 THR A 76 -19.745 -4.913 0.348 1.00 0.20 H new ATOM 0 HG21 THR A 76 -19.451 -7.347 0.327 1.00 0.16 H new ATOM 0 HG22 THR A 76 -18.397 -7.701 1.717 1.00 0.16 H new ATOM 0 HG23 THR A 76 -19.732 -6.536 1.886 1.00 0.16 H new ATOM 1177 N LEU A 77 -15.629 -6.615 2.879 1.00 0.10 N ATOM 1178 CA LEU A 77 -14.312 -7.216 2.971 1.00 0.11 C ATOM 1179 C LEU A 77 -14.384 -8.621 2.397 1.00 0.11 C ATOM 1180 O LEU A 77 -15.220 -9.427 2.804 1.00 0.14 O ATOM 1181 CB LEU A 77 -13.807 -7.240 4.418 1.00 0.13 C ATOM 1182 CG LEU A 77 -12.444 -6.583 4.634 1.00 0.16 C ATOM 1183 CD1 LEU A 77 -12.563 -5.070 4.549 1.00 0.29 C ATOM 1184 CD2 LEU A 77 -11.857 -7.002 5.973 1.00 0.35 C ATOM 0 H LEU A 77 -16.317 -6.996 3.529 1.00 0.10 H new ATOM 0 HA LEU A 77 -13.601 -6.619 2.400 1.00 0.11 H new ATOM 0 HB2 LEU A 77 -14.540 -6.740 5.052 1.00 0.13 H new ATOM 0 HB3 LEU A 77 -13.752 -8.276 4.751 1.00 0.13 H new ATOM 0 HG LEU A 77 -11.770 -6.918 3.846 1.00 0.16 H new ATOM 0 HD11 LEU A 77 -11.583 -4.619 4.705 1.00 0.29 H new ATOM 0 HD12 LEU A 77 -12.939 -4.789 3.565 1.00 0.29 H new ATOM 0 HD13 LEU A 77 -13.252 -4.716 5.316 1.00 0.29 H new ATOM 0 HD21 LEU A 77 -10.887 -6.525 6.110 1.00 0.35 H new ATOM 0 HD22 LEU A 77 -12.528 -6.697 6.776 1.00 0.35 H new ATOM 0 HD23 LEU A 77 -11.735 -8.085 5.994 1.00 0.35 H new ATOM 1196 N LEU A 78 -13.532 -8.902 1.425 1.00 0.11 N ATOM 1197 CA LEU A 78 -13.543 -10.202 0.776 1.00 0.12 C ATOM 1198 C LEU A 78 -12.241 -10.958 1.011 1.00 0.11 C ATOM 1199 O LEU A 78 -11.149 -10.395 0.919 1.00 0.12 O ATOM 1200 CB LEU A 78 -13.801 -10.023 -0.729 1.00 0.12 C ATOM 1201 CG LEU A 78 -15.280 -9.983 -1.156 1.00 0.14 C ATOM 1202 CD1 LEU A 78 -15.421 -10.337 -2.628 1.00 0.18 C ATOM 1203 CD2 LEU A 78 -16.128 -10.915 -0.301 1.00 0.23 C ATOM 0 H LEU A 78 -12.829 -8.253 1.070 1.00 0.11 H new ATOM 0 HA LEU A 78 -14.345 -10.797 1.213 1.00 0.12 H new ATOM 0 HB2 LEU A 78 -13.324 -9.098 -1.053 1.00 0.12 H new ATOM 0 HB3 LEU A 78 -13.311 -10.838 -1.262 1.00 0.12 H new ATOM 0 HG LEU A 78 -15.643 -8.966 -1.005 1.00 0.14 H new ATOM 0 HD11 LEU A 78 -16.473 -10.303 -2.911 1.00 0.18 H new ATOM 0 HD12 LEU A 78 -14.860 -9.622 -3.230 1.00 0.18 H new ATOM 0 HD13 LEU A 78 -15.031 -11.340 -2.800 1.00 0.18 H new ATOM 0 HD21 LEU A 78 -17.167 -10.864 -0.627 1.00 0.23 H new ATOM 0 HD22 LEU A 78 -15.764 -11.937 -0.407 1.00 0.23 H new ATOM 0 HD23 LEU A 78 -16.061 -10.612 0.744 1.00 0.23 H new ATOM 1215 N LEU A 79 -12.374 -12.240 1.334 1.00 0.12 N ATOM 1216 CA LEU A 79 -11.222 -13.086 1.600 1.00 0.13 C ATOM 1217 C LEU A 79 -11.129 -14.212 0.581 1.00 0.13 C ATOM 1218 O LEU A 79 -11.967 -15.115 0.558 1.00 0.19 O ATOM 1219 CB LEU A 79 -11.312 -13.682 3.008 1.00 0.16 C ATOM 1220 CG LEU A 79 -10.613 -12.882 4.106 1.00 0.19 C ATOM 1221 CD1 LEU A 79 -9.120 -12.792 3.834 1.00 0.24 C ATOM 1222 CD2 LEU A 79 -11.227 -11.495 4.225 1.00 0.18 C ATOM 0 H LEU A 79 -13.273 -12.715 1.417 1.00 0.12 H new ATOM 0 HA LEU A 79 -10.328 -12.467 1.525 1.00 0.13 H new ATOM 0 HB2 LEU A 79 -12.364 -13.787 3.273 1.00 0.16 H new ATOM 0 HB3 LEU A 79 -10.887 -14.685 2.987 1.00 0.16 H new ATOM 0 HG LEU A 79 -10.753 -13.400 5.055 1.00 0.19 H new ATOM 0 HD11 LEU A 79 -8.640 -12.219 4.627 1.00 0.24 H new ATOM 0 HD12 LEU A 79 -8.695 -13.795 3.803 1.00 0.24 H new ATOM 0 HD13 LEU A 79 -8.954 -12.298 2.877 1.00 0.24 H new ATOM 0 HD21 LEU A 79 -10.718 -10.938 5.012 1.00 0.18 H new ATOM 0 HD22 LEU A 79 -11.119 -10.967 3.278 1.00 0.18 H new ATOM 0 HD23 LEU A 79 -12.285 -11.585 4.471 1.00 0.18 H new ATOM 1234 N PHE A 80 -10.099 -14.161 -0.251 1.00 0.13 N ATOM 1235 CA PHE A 80 -9.895 -15.182 -1.265 1.00 0.13 C ATOM 1236 C PHE A 80 -8.773 -16.126 -0.854 1.00 0.14 C ATOM 1237 O PHE A 80 -7.778 -15.710 -0.260 1.00 0.18 O ATOM 1238 CB PHE A 80 -9.577 -14.532 -2.612 1.00 0.14 C ATOM 1239 CG PHE A 80 -10.778 -13.935 -3.275 1.00 0.13 C ATOM 1240 CD1 PHE A 80 -11.260 -12.710 -2.854 1.00 0.15 C ATOM 1241 CD2 PHE A 80 -11.426 -14.592 -4.312 1.00 0.16 C ATOM 1242 CE1 PHE A 80 -12.369 -12.144 -3.450 1.00 0.14 C ATOM 1243 CE2 PHE A 80 -12.538 -14.031 -4.915 1.00 0.19 C ATOM 1244 CZ PHE A 80 -13.011 -12.804 -4.482 1.00 0.15 C ATOM 0 H PHE A 80 -9.393 -13.424 -0.243 1.00 0.13 H new ATOM 0 HA PHE A 80 -10.813 -15.761 -1.364 1.00 0.13 H new ATOM 0 HB2 PHE A 80 -8.827 -13.755 -2.465 1.00 0.14 H new ATOM 0 HB3 PHE A 80 -9.138 -15.278 -3.274 1.00 0.14 H new ATOM 0 HD1 PHE A 80 -10.763 -12.189 -2.049 1.00 0.15 H new ATOM 0 HD2 PHE A 80 -11.059 -15.549 -4.651 1.00 0.16 H new ATOM 0 HE1 PHE A 80 -12.735 -11.186 -3.111 1.00 0.14 H new ATOM 0 HE2 PHE A 80 -13.036 -14.549 -5.721 1.00 0.19 H new ATOM 0 HZ PHE A 80 -13.879 -12.363 -4.949 1.00 0.15 H new ATOM 1254 N LYS A 81 -8.950 -17.401 -1.168 1.00 0.14 N ATOM 1255 CA LYS A 81 -7.969 -18.424 -0.833 1.00 0.17 C ATOM 1256 C LYS A 81 -7.905 -19.456 -1.949 1.00 0.15 C ATOM 1257 O LYS A 81 -8.871 -20.180 -2.188 1.00 0.16 O ATOM 1258 CB LYS A 81 -8.348 -19.102 0.487 1.00 0.21 C ATOM 1259 CG LYS A 81 -7.153 -19.547 1.313 1.00 0.27 C ATOM 1260 CD LYS A 81 -7.411 -19.386 2.806 1.00 0.27 C ATOM 1261 CE LYS A 81 -6.164 -19.686 3.624 1.00 0.35 C ATOM 1262 NZ LYS A 81 -5.546 -20.983 3.233 1.00 0.35 N ATOM 0 H LYS A 81 -9.771 -17.754 -1.659 1.00 0.14 H new ATOM 0 HA LYS A 81 -6.990 -17.958 -0.720 1.00 0.17 H new ATOM 0 HB2 LYS A 81 -8.951 -18.413 1.079 1.00 0.21 H new ATOM 0 HB3 LYS A 81 -8.973 -19.969 0.273 1.00 0.21 H new ATOM 0 HG2 LYS A 81 -6.926 -20.590 1.093 1.00 0.27 H new ATOM 0 HG3 LYS A 81 -6.277 -18.964 1.030 1.00 0.27 H new ATOM 0 HD2 LYS A 81 -7.745 -18.369 3.011 1.00 0.27 H new ATOM 0 HD3 LYS A 81 -8.217 -20.054 3.111 1.00 0.27 H new ATOM 0 HE2 LYS A 81 -5.439 -18.883 3.490 1.00 0.35 H new ATOM 0 HE3 LYS A 81 -6.421 -19.710 4.683 1.00 0.35 H new ATOM 0 HZ1 LYS A 81 -4.853 -21.269 3.954 1.00 0.35 H new ATOM 0 HZ2 LYS A 81 -6.285 -21.711 3.156 1.00 0.35 H new ATOM 0 HZ3 LYS A 81 -5.068 -20.877 2.316 1.00 0.35 H new ATOM 1276 N ASN A 82 -6.777 -19.506 -2.653 1.00 0.16 N ATOM 1277 CA ASN A 82 -6.626 -20.441 -3.762 1.00 0.17 C ATOM 1278 C ASN A 82 -7.666 -20.139 -4.835 1.00 0.16 C ATOM 1279 O ASN A 82 -8.302 -21.041 -5.378 1.00 0.16 O ATOM 1280 CB ASN A 82 -6.762 -21.881 -3.267 1.00 0.17 C ATOM 1281 CG ASN A 82 -5.984 -22.128 -1.989 1.00 0.31 C ATOM 1282 OD1 ASN A 82 -4.689 -21.834 -2.020 1.00 0.73 O flip ATOM 1283 ND2 ASN A 82 -6.539 -22.577 -0.986 1.00 0.18 N flip ATOM 0 H ASN A 82 -5.963 -18.917 -2.477 1.00 0.16 H new ATOM 0 HA ASN A 82 -5.632 -20.324 -4.194 1.00 0.17 H new ATOM 0 HB2 ASN A 82 -7.815 -22.106 -3.098 1.00 0.17 H new ATOM 0 HB3 ASN A 82 -6.410 -22.563 -4.041 1.00 0.17 H new ATOM 0 HD21 ASN A 82 -7.537 -22.789 -1.007 1.00 0.18 H new ATOM 0 HD22 ASN A 82 -6.001 -22.737 -0.134 1.00 0.18 H new ATOM 1290 N GLY A 83 -7.802 -18.855 -5.151 1.00 0.16 N ATOM 1291 CA GLY A 83 -8.741 -18.426 -6.173 1.00 0.16 C ATOM 1292 C GLY A 83 -10.202 -18.563 -5.762 1.00 0.15 C ATOM 1293 O GLY A 83 -11.097 -18.306 -6.567 1.00 0.17 O ATOM 0 H GLY A 83 -7.275 -18.099 -4.714 1.00 0.16 H new ATOM 0 HA2 GLY A 83 -8.540 -17.384 -6.424 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -8.571 -19.010 -7.077 1.00 0.16 H new ATOM 1297 N GLU A 84 -10.458 -18.982 -4.524 1.00 0.14 N ATOM 1298 CA GLU A 84 -11.831 -19.160 -4.057 1.00 0.15 C ATOM 1299 C GLU A 84 -12.113 -18.364 -2.786 1.00 0.13 C ATOM 1300 O GLU A 84 -11.283 -18.300 -1.879 1.00 0.15 O ATOM 1301 CB GLU A 84 -12.112 -20.644 -3.810 1.00 0.18 C ATOM 1302 CG GLU A 84 -13.574 -21.027 -3.966 1.00 0.58 C ATOM 1303 CD GLU A 84 -14.002 -22.101 -2.985 1.00 0.88 C ATOM 1304 OE1 GLU A 84 -13.506 -22.090 -1.837 1.00 1.65 O ATOM 1305 OE2 GLU A 84 -14.832 -22.952 -3.363 1.00 1.42 O ATOM 0 H GLU A 84 -9.741 -19.202 -3.833 1.00 0.14 H new ATOM 0 HA GLU A 84 -12.492 -18.783 -4.837 1.00 0.15 H new ATOM 0 HB2 GLU A 84 -11.515 -21.237 -4.503 1.00 0.18 H new ATOM 0 HB3 GLU A 84 -11.784 -20.903 -2.803 1.00 0.18 H new ATOM 0 HG2 GLU A 84 -14.195 -20.142 -3.825 1.00 0.58 H new ATOM 0 HG3 GLU A 84 -13.747 -21.379 -4.983 1.00 0.58 H new ATOM 1312 N VAL A 85 -13.307 -17.782 -2.726 1.00 0.12 N ATOM 1313 CA VAL A 85 -13.733 -17.002 -1.566 1.00 0.13 C ATOM 1314 C VAL A 85 -13.848 -17.890 -0.328 1.00 0.19 C ATOM 1315 O VAL A 85 -14.660 -18.816 -0.299 1.00 0.34 O ATOM 1316 CB VAL A 85 -15.102 -16.341 -1.821 1.00 0.20 C ATOM 1317 CG1 VAL A 85 -15.461 -15.386 -0.691 1.00 1.22 C ATOM 1318 CG2 VAL A 85 -15.107 -15.621 -3.160 1.00 1.26 C ATOM 0 H VAL A 85 -14.001 -17.836 -3.471 1.00 0.12 H new ATOM 0 HA VAL A 85 -12.979 -16.232 -1.399 1.00 0.13 H new ATOM 0 HB VAL A 85 -15.859 -17.125 -1.852 1.00 0.20 H new ATOM 0 HG11 VAL A 85 -16.431 -14.932 -0.893 1.00 1.22 H new ATOM 0 HG12 VAL A 85 -15.506 -15.936 0.249 1.00 1.22 H new ATOM 0 HG13 VAL A 85 -14.703 -14.606 -0.619 1.00 1.22 H new ATOM 0 HG21 VAL A 85 -16.082 -15.161 -3.322 1.00 1.26 H new ATOM 0 HG22 VAL A 85 -14.337 -14.850 -3.161 1.00 1.26 H new ATOM 0 HG23 VAL A 85 -14.906 -16.336 -3.958 1.00 1.26 H new ATOM 1328 N ALA A 86 -13.036 -17.621 0.689 1.00 0.22 N ATOM 1329 CA ALA A 86 -13.074 -18.426 1.907 1.00 0.34 C ATOM 1330 C ALA A 86 -13.680 -17.675 3.083 1.00 0.20 C ATOM 1331 O ALA A 86 -13.815 -18.219 4.180 1.00 0.19 O ATOM 1332 CB ALA A 86 -11.681 -18.933 2.255 1.00 0.58 C ATOM 0 H ALA A 86 -12.353 -16.864 0.697 1.00 0.22 H new ATOM 0 HA ALA A 86 -13.723 -19.278 1.706 1.00 0.34 H new ATOM 0 HB1 ALA A 86 -11.728 -19.531 3.165 1.00 0.58 H new ATOM 0 HB2 ALA A 86 -11.302 -19.546 1.437 1.00 0.58 H new ATOM 0 HB3 ALA A 86 -11.014 -18.085 2.412 1.00 0.58 H new ATOM 1338 N ALA A 87 -14.052 -16.433 2.847 1.00 0.18 N ATOM 1339 CA ALA A 87 -14.657 -15.604 3.885 1.00 0.15 C ATOM 1340 C ALA A 87 -15.160 -14.275 3.327 1.00 0.15 C ATOM 1341 O ALA A 87 -14.566 -13.713 2.409 1.00 0.15 O ATOM 1342 CB ALA A 87 -13.662 -15.360 5.008 1.00 0.22 C ATOM 0 H ALA A 87 -13.948 -15.969 1.945 1.00 0.18 H new ATOM 0 HA ALA A 87 -15.518 -16.143 4.279 1.00 0.15 H new ATOM 0 HB1 ALA A 87 -14.125 -14.740 5.776 1.00 0.22 H new ATOM 0 HB2 ALA A 87 -13.363 -16.314 5.443 1.00 0.22 H new ATOM 0 HB3 ALA A 87 -12.784 -14.851 4.612 1.00 0.22 H new ATOM 1348 N THR A 88 -16.244 -13.765 3.907 1.00 0.17 N ATOM 1349 CA THR A 88 -16.809 -12.488 3.483 1.00 0.18 C ATOM 1350 C THR A 88 -17.222 -11.650 4.686 1.00 0.20 C ATOM 1351 O THR A 88 -17.692 -12.180 5.694 1.00 0.35 O ATOM 1352 CB THR A 88 -18.015 -12.695 2.566 1.00 0.23 C ATOM 1353 OG1 THR A 88 -18.680 -11.465 2.336 1.00 1.30 O ATOM 1354 CG2 THR A 88 -19.032 -13.666 3.120 1.00 1.42 C ATOM 0 H THR A 88 -16.747 -14.216 4.671 1.00 0.17 H new ATOM 0 HA THR A 88 -16.034 -11.958 2.929 1.00 0.18 H new ATOM 0 HB THR A 88 -17.609 -13.109 1.643 1.00 0.23 H new ATOM 0 HG1 THR A 88 -19.448 -11.614 1.746 1.00 1.30 H new ATOM 0 HG21 THR A 88 -19.860 -13.765 2.418 1.00 1.42 H new ATOM 0 HG22 THR A 88 -18.563 -14.639 3.268 1.00 1.42 H new ATOM 0 HG23 THR A 88 -19.407 -13.295 4.074 1.00 1.42 H new ATOM 1362 N LYS A 89 -17.051 -10.340 4.569 1.00 0.16 N ATOM 1363 CA LYS A 89 -17.414 -9.418 5.638 1.00 0.16 C ATOM 1364 C LYS A 89 -18.086 -8.180 5.055 1.00 0.16 C ATOM 1365 O LYS A 89 -17.671 -7.675 4.014 1.00 0.16 O ATOM 1366 CB LYS A 89 -16.175 -9.018 6.441 1.00 0.17 C ATOM 1367 CG LYS A 89 -16.026 -9.779 7.748 1.00 0.34 C ATOM 1368 CD LYS A 89 -16.976 -9.253 8.810 1.00 0.95 C ATOM 1369 CE LYS A 89 -16.400 -9.420 10.206 1.00 1.12 C ATOM 1370 NZ LYS A 89 -17.447 -9.306 11.258 1.00 1.79 N ATOM 0 H LYS A 89 -16.661 -9.890 3.741 1.00 0.16 H new ATOM 0 HA LYS A 89 -18.114 -9.918 6.307 1.00 0.16 H new ATOM 0 HB2 LYS A 89 -15.287 -9.184 5.830 1.00 0.17 H new ATOM 0 HB3 LYS A 89 -16.220 -7.950 6.655 1.00 0.17 H new ATOM 0 HG2 LYS A 89 -16.220 -10.838 7.578 1.00 0.34 H new ATOM 0 HG3 LYS A 89 -14.999 -9.696 8.104 1.00 0.34 H new ATOM 0 HD2 LYS A 89 -17.183 -8.199 8.625 1.00 0.95 H new ATOM 0 HD3 LYS A 89 -17.927 -9.781 8.742 1.00 0.95 H new ATOM 0 HE2 LYS A 89 -15.913 -10.392 10.283 1.00 1.12 H new ATOM 0 HE3 LYS A 89 -15.633 -8.664 10.375 1.00 1.12 H new ATOM 0 HZ1 LYS A 89 -17.012 -9.426 12.195 1.00 1.79 H new ATOM 0 HZ2 LYS A 89 -17.895 -8.369 11.202 1.00 1.79 H new ATOM 0 HZ3 LYS A 89 -18.166 -10.043 11.113 1.00 1.79 H new ATOM 1384 N VAL A 90 -19.126 -7.697 5.721 1.00 0.16 N ATOM 1385 CA VAL A 90 -19.846 -6.521 5.250 1.00 0.17 C ATOM 1386 C VAL A 90 -19.832 -5.411 6.293 1.00 0.17 C ATOM 1387 O VAL A 90 -19.903 -5.676 7.494 1.00 0.17 O ATOM 1388 CB VAL A 90 -21.307 -6.857 4.903 1.00 0.18 C ATOM 1389 CG1 VAL A 90 -21.965 -5.694 4.175 1.00 0.52 C ATOM 1390 CG2 VAL A 90 -21.379 -8.128 4.070 1.00 0.59 C ATOM 0 H VAL A 90 -19.489 -8.099 6.585 1.00 0.16 H new ATOM 0 HA VAL A 90 -19.333 -6.180 4.351 1.00 0.17 H new ATOM 0 HB VAL A 90 -21.852 -7.028 5.831 1.00 0.18 H new ATOM 0 HG11 VAL A 90 -22.998 -5.950 3.938 1.00 0.52 H new ATOM 0 HG12 VAL A 90 -21.948 -4.810 4.812 1.00 0.52 H new ATOM 0 HG13 VAL A 90 -21.422 -5.488 3.253 1.00 0.52 H new ATOM 0 HG21 VAL A 90 -22.420 -8.350 3.834 1.00 0.59 H new ATOM 0 HG22 VAL A 90 -20.819 -7.989 3.145 1.00 0.59 H new ATOM 0 HG23 VAL A 90 -20.950 -8.957 4.633 1.00 0.59 H new ATOM 1400 N GLY A 91 -19.748 -4.169 5.830 1.00 0.17 N ATOM 1401 CA GLY A 91 -19.726 -3.046 6.740 1.00 0.18 C ATOM 1402 C GLY A 91 -18.348 -2.779 7.300 1.00 0.17 C ATOM 1403 O GLY A 91 -17.477 -3.647 7.269 1.00 0.16 O ATOM 0 H GLY A 91 -19.695 -3.923 4.842 1.00 0.17 H new ATOM 0 HA2 GLY A 91 -20.082 -2.156 6.221 1.00 0.18 H new ATOM 0 HA3 GLY A 91 -20.418 -3.235 7.561 1.00 0.18 H new ATOM 1407 N ALA A 92 -18.147 -1.565 7.799 1.00 0.20 N ATOM 1408 CA ALA A 92 -16.861 -1.170 8.352 1.00 0.22 C ATOM 1409 C ALA A 92 -16.545 -1.927 9.634 1.00 0.21 C ATOM 1410 O ALA A 92 -17.443 -2.401 10.332 1.00 0.44 O ATOM 1411 CB ALA A 92 -16.837 0.328 8.610 1.00 0.28 C ATOM 0 H ALA A 92 -18.861 -0.837 7.831 1.00 0.20 H new ATOM 0 HA ALA A 92 -16.094 -1.421 7.619 1.00 0.22 H new ATOM 0 HB1 ALA A 92 -15.869 0.610 9.024 1.00 0.28 H new ATOM 0 HB2 ALA A 92 -17.001 0.861 7.674 1.00 0.28 H new ATOM 0 HB3 ALA A 92 -17.624 0.588 9.318 1.00 0.28 H new ATOM 1417 N LEU A 93 -15.257 -2.034 9.934 1.00 0.26 N ATOM 1418 CA LEU A 93 -14.800 -2.730 11.127 1.00 0.24 C ATOM 1419 C LEU A 93 -13.490 -2.129 11.619 1.00 0.27 C ATOM 1420 O LEU A 93 -12.714 -1.584 10.834 1.00 0.57 O ATOM 1421 CB LEU A 93 -14.617 -4.219 10.836 1.00 0.23 C ATOM 1422 CG LEU A 93 -13.961 -4.537 9.493 1.00 0.30 C ATOM 1423 CD1 LEU A 93 -13.088 -5.774 9.606 1.00 0.30 C ATOM 1424 CD2 LEU A 93 -15.020 -4.724 8.418 1.00 0.41 C ATOM 0 H LEU A 93 -14.507 -1.645 9.363 1.00 0.26 H new ATOM 0 HA LEU A 93 -15.554 -2.615 11.906 1.00 0.24 H new ATOM 0 HB2 LEU A 93 -14.014 -4.658 11.631 1.00 0.23 H new ATOM 0 HB3 LEU A 93 -15.593 -4.704 10.871 1.00 0.23 H new ATOM 0 HG LEU A 93 -13.327 -3.697 9.209 1.00 0.30 H new ATOM 0 HD11 LEU A 93 -12.629 -5.985 8.640 1.00 0.30 H new ATOM 0 HD12 LEU A 93 -12.308 -5.603 10.348 1.00 0.30 H new ATOM 0 HD13 LEU A 93 -13.699 -6.624 9.911 1.00 0.30 H new ATOM 0 HD21 LEU A 93 -14.537 -4.950 7.467 1.00 0.41 H new ATOM 0 HD22 LEU A 93 -15.679 -5.547 8.695 1.00 0.41 H new ATOM 0 HD23 LEU A 93 -15.604 -3.809 8.320 1.00 0.41 H new ATOM 1436 N SER A 94 -13.255 -2.219 12.920 1.00 0.27 N ATOM 1437 CA SER A 94 -12.041 -1.673 13.510 1.00 0.24 C ATOM 1438 C SER A 94 -10.806 -2.437 13.043 1.00 0.21 C ATOM 1439 O SER A 94 -10.905 -3.392 12.273 1.00 0.29 O ATOM 1440 CB SER A 94 -12.132 -1.706 15.036 1.00 0.27 C ATOM 1441 OG SER A 94 -12.699 -0.508 15.537 1.00 0.91 O ATOM 0 H SER A 94 -13.887 -2.664 13.586 1.00 0.27 H new ATOM 0 HA SER A 94 -11.945 -0.639 13.180 1.00 0.24 H new ATOM 0 HB2 SER A 94 -12.736 -2.557 15.349 1.00 0.27 H new ATOM 0 HB3 SER A 94 -11.138 -1.847 15.460 1.00 0.27 H new ATOM 0 HG SER A 94 -12.748 -0.553 16.515 1.00 0.91 H new ATOM 1447 N LYS A 95 -9.643 -2.002 13.516 1.00 0.17 N ATOM 1448 CA LYS A 95 -8.377 -2.631 13.151 1.00 0.15 C ATOM 1449 C LYS A 95 -8.215 -3.989 13.822 1.00 0.13 C ATOM 1450 O LYS A 95 -7.557 -4.878 13.283 1.00 0.13 O ATOM 1451 CB LYS A 95 -7.204 -1.725 13.537 1.00 0.18 C ATOM 1452 CG LYS A 95 -5.845 -2.310 13.188 1.00 0.18 C ATOM 1453 CD LYS A 95 -4.838 -1.224 12.850 1.00 0.25 C ATOM 1454 CE LYS A 95 -3.541 -1.817 12.326 1.00 0.26 C ATOM 1455 NZ LYS A 95 -2.361 -0.991 12.699 1.00 0.81 N ATOM 0 H LYS A 95 -9.550 -1.213 14.156 1.00 0.17 H new ATOM 0 HA LYS A 95 -8.383 -2.781 12.071 1.00 0.15 H new ATOM 0 HB2 LYS A 95 -7.317 -0.764 13.035 1.00 0.18 H new ATOM 0 HB3 LYS A 95 -7.243 -1.531 14.609 1.00 0.18 H new ATOM 0 HG2 LYS A 95 -5.476 -2.900 14.027 1.00 0.18 H new ATOM 0 HG3 LYS A 95 -5.947 -2.989 12.341 1.00 0.18 H new ATOM 0 HD2 LYS A 95 -5.261 -0.553 12.103 1.00 0.25 H new ATOM 0 HD3 LYS A 95 -4.634 -0.625 13.738 1.00 0.25 H new ATOM 0 HE2 LYS A 95 -3.417 -2.825 12.721 1.00 0.26 H new ATOM 0 HE3 LYS A 95 -3.594 -1.904 11.241 1.00 0.26 H new ATOM 0 HZ1 LYS A 95 -1.497 -1.430 12.322 1.00 0.81 H new ATOM 0 HZ2 LYS A 95 -2.466 -0.036 12.301 1.00 0.81 H new ATOM 0 HZ3 LYS A 95 -2.294 -0.929 13.735 1.00 0.81 H new ATOM 1469 N GLY A 96 -8.794 -4.138 15.008 1.00 0.14 N ATOM 1470 CA GLY A 96 -8.678 -5.389 15.719 1.00 0.14 C ATOM 1471 C GLY A 96 -9.593 -6.463 15.166 1.00 0.13 C ATOM 1472 O GLY A 96 -9.264 -7.648 15.218 1.00 0.14 O ATOM 0 H GLY A 96 -9.337 -3.418 15.484 1.00 0.14 H new ATOM 0 HA2 GLY A 96 -7.646 -5.736 15.670 1.00 0.14 H new ATOM 0 HA3 GLY A 96 -8.910 -5.227 16.772 1.00 0.14 H new ATOM 1476 N GLN A 97 -10.735 -6.056 14.627 1.00 0.13 N ATOM 1477 CA GLN A 97 -11.677 -7.012 14.061 1.00 0.14 C ATOM 1478 C GLN A 97 -11.191 -7.505 12.701 1.00 0.14 C ATOM 1479 O GLN A 97 -11.486 -8.627 12.298 1.00 0.16 O ATOM 1480 CB GLN A 97 -13.072 -6.401 13.941 1.00 0.16 C ATOM 1481 CG GLN A 97 -13.537 -5.689 15.205 1.00 0.20 C ATOM 1482 CD GLN A 97 -14.835 -4.932 15.003 1.00 0.44 C ATOM 1483 OE1 GLN A 97 -15.273 -4.725 13.872 1.00 0.75 O ATOM 1484 NE2 GLN A 97 -15.458 -4.513 16.102 1.00 1.18 N ATOM 0 H GLN A 97 -11.029 -5.081 14.570 1.00 0.13 H new ATOM 0 HA GLN A 97 -11.738 -7.865 14.737 1.00 0.14 H new ATOM 0 HB2 GLN A 97 -13.079 -5.693 13.112 1.00 0.16 H new ATOM 0 HB3 GLN A 97 -13.784 -7.188 13.695 1.00 0.16 H new ATOM 0 HG2 GLN A 97 -13.667 -6.420 16.003 1.00 0.20 H new ATOM 0 HG3 GLN A 97 -12.763 -4.995 15.532 1.00 0.20 H new ATOM 0 HE21 GLN A 97 -15.058 -4.707 17.020 1.00 1.18 H new ATOM 0 HE22 GLN A 97 -16.335 -3.998 16.026 1.00 1.18 H new ATOM 1493 N LEU A 98 -10.433 -6.666 12.004 1.00 0.13 N ATOM 1494 CA LEU A 98 -9.892 -7.047 10.705 1.00 0.13 C ATOM 1495 C LEU A 98 -8.737 -8.026 10.892 1.00 0.12 C ATOM 1496 O LEU A 98 -8.700 -9.091 10.274 1.00 0.13 O ATOM 1497 CB LEU A 98 -9.430 -5.824 9.910 1.00 0.13 C ATOM 1498 CG LEU A 98 -9.767 -5.877 8.417 1.00 0.16 C ATOM 1499 CD1 LEU A 98 -10.111 -4.493 7.891 1.00 0.29 C ATOM 1500 CD2 LEU A 98 -8.614 -6.479 7.628 1.00 0.28 C ATOM 0 H LEU A 98 -10.181 -5.727 12.313 1.00 0.13 H new ATOM 0 HA LEU A 98 -10.686 -7.530 10.135 1.00 0.13 H new ATOM 0 HB2 LEU A 98 -9.885 -4.932 10.341 1.00 0.13 H new ATOM 0 HB3 LEU A 98 -8.351 -5.718 10.023 1.00 0.13 H new ATOM 0 HG LEU A 98 -10.641 -6.516 8.289 1.00 0.16 H new ATOM 0 HD11 LEU A 98 -10.347 -4.556 6.829 1.00 0.29 H new ATOM 0 HD12 LEU A 98 -10.973 -4.102 8.432 1.00 0.29 H new ATOM 0 HD13 LEU A 98 -9.260 -3.827 8.035 1.00 0.29 H new ATOM 0 HD21 LEU A 98 -8.873 -6.508 6.570 1.00 0.28 H new ATOM 0 HD22 LEU A 98 -7.721 -5.870 7.766 1.00 0.28 H new ATOM 0 HD23 LEU A 98 -8.421 -7.492 7.982 1.00 0.28 H new ATOM 1512 N LYS A 99 -7.795 -7.651 11.756 1.00 0.11 N ATOM 1513 CA LYS A 99 -6.631 -8.488 12.040 1.00 0.11 C ATOM 1514 C LYS A 99 -7.058 -9.848 12.584 1.00 0.11 C ATOM 1515 O LYS A 99 -6.545 -10.888 12.169 1.00 0.11 O ATOM 1516 CB LYS A 99 -5.721 -7.798 13.060 1.00 0.12 C ATOM 1517 CG LYS A 99 -4.238 -8.047 12.834 1.00 0.21 C ATOM 1518 CD LYS A 99 -3.405 -7.511 13.989 1.00 0.47 C ATOM 1519 CE LYS A 99 -3.529 -8.385 15.227 1.00 0.68 C ATOM 1520 NZ LYS A 99 -2.940 -7.733 16.430 1.00 1.16 N ATOM 0 H LYS A 99 -7.816 -6.771 12.272 1.00 0.11 H new ATOM 0 HA LYS A 99 -6.088 -8.637 11.107 1.00 0.11 H new ATOM 0 HB2 LYS A 99 -5.907 -6.724 13.030 1.00 0.12 H new ATOM 0 HB3 LYS A 99 -5.988 -8.140 14.060 1.00 0.12 H new ATOM 0 HG2 LYS A 99 -4.060 -9.116 12.720 1.00 0.21 H new ATOM 0 HG3 LYS A 99 -3.925 -7.571 11.905 1.00 0.21 H new ATOM 0 HD2 LYS A 99 -2.359 -7.454 13.687 1.00 0.47 H new ATOM 0 HD3 LYS A 99 -3.724 -6.496 14.227 1.00 0.47 H new ATOM 0 HE2 LYS A 99 -4.580 -8.605 15.412 1.00 0.68 H new ATOM 0 HE3 LYS A 99 -3.030 -9.338 15.050 1.00 0.68 H new ATOM 0 HZ1 LYS A 99 -3.045 -8.361 17.252 1.00 1.16 H new ATOM 0 HZ2 LYS A 99 -1.931 -7.546 16.264 1.00 1.16 H new ATOM 0 HZ3 LYS A 99 -3.433 -6.836 16.615 1.00 1.16 H new ATOM 1534 N GLU A 100 -8.015 -9.829 13.507 1.00 0.12 N ATOM 1535 CA GLU A 100 -8.525 -11.060 14.102 1.00 0.14 C ATOM 1536 C GLU A 100 -9.153 -11.952 13.034 1.00 0.14 C ATOM 1537 O GLU A 100 -8.960 -13.168 13.035 1.00 0.15 O ATOM 1538 CB GLU A 100 -9.538 -10.746 15.211 1.00 0.15 C ATOM 1539 CG GLU A 100 -10.884 -10.258 14.705 1.00 0.22 C ATOM 1540 CD GLU A 100 -11.866 -11.390 14.474 1.00 0.60 C ATOM 1541 OE1 GLU A 100 -11.755 -12.423 15.167 1.00 1.36 O ATOM 1542 OE2 GLU A 100 -12.747 -11.243 13.601 1.00 1.38 O ATOM 0 H GLU A 100 -8.452 -8.977 13.858 1.00 0.12 H new ATOM 0 HA GLU A 100 -7.688 -11.598 14.548 1.00 0.14 H new ATOM 0 HB2 GLU A 100 -9.692 -11.642 15.812 1.00 0.15 H new ATOM 0 HB3 GLU A 100 -9.114 -9.989 15.871 1.00 0.15 H new ATOM 0 HG2 GLU A 100 -11.306 -9.557 15.425 1.00 0.22 H new ATOM 0 HG3 GLU A 100 -10.741 -9.710 13.773 1.00 0.22 H new ATOM 1549 N PHE A 101 -9.879 -11.335 12.105 1.00 0.15 N ATOM 1550 CA PHE A 101 -10.516 -12.061 11.011 1.00 0.17 C ATOM 1551 C PHE A 101 -9.466 -12.743 10.133 1.00 0.14 C ATOM 1552 O PHE A 101 -9.617 -13.901 9.735 1.00 0.15 O ATOM 1553 CB PHE A 101 -11.364 -11.098 10.175 1.00 0.22 C ATOM 1554 CG PHE A 101 -12.264 -11.781 9.184 1.00 0.21 C ATOM 1555 CD1 PHE A 101 -13.031 -12.872 9.559 1.00 0.23 C ATOM 1556 CD2 PHE A 101 -12.341 -11.330 7.875 1.00 0.24 C ATOM 1557 CE1 PHE A 101 -13.857 -13.503 8.647 1.00 0.26 C ATOM 1558 CE2 PHE A 101 -13.165 -11.957 6.959 1.00 0.26 C ATOM 1559 CZ PHE A 101 -13.924 -13.045 7.346 1.00 0.26 C ATOM 0 H PHE A 101 -10.041 -10.328 12.089 1.00 0.15 H new ATOM 0 HA PHE A 101 -11.162 -12.832 11.431 1.00 0.17 H new ATOM 0 HB2 PHE A 101 -11.973 -10.490 10.845 1.00 0.22 H new ATOM 0 HB3 PHE A 101 -10.702 -10.417 9.640 1.00 0.22 H new ATOM 0 HD1 PHE A 101 -12.983 -13.234 10.575 1.00 0.23 H new ATOM 0 HD2 PHE A 101 -11.751 -10.479 7.568 1.00 0.24 H new ATOM 0 HE1 PHE A 101 -14.449 -14.353 8.952 1.00 0.26 H new ATOM 0 HE2 PHE A 101 -13.215 -11.597 5.942 1.00 0.26 H new ATOM 0 HZ PHE A 101 -14.569 -13.536 6.632 1.00 0.26 H new ATOM 1569 N LEU A 102 -8.387 -12.018 9.853 1.00 0.14 N ATOM 1570 CA LEU A 102 -7.305 -12.549 9.037 1.00 0.16 C ATOM 1571 C LEU A 102 -6.619 -13.686 9.775 1.00 0.16 C ATOM 1572 O LEU A 102 -6.524 -14.796 9.263 1.00 0.19 O ATOM 1573 CB LEU A 102 -6.304 -11.446 8.689 1.00 0.21 C ATOM 1574 CG LEU A 102 -6.532 -10.786 7.329 1.00 0.22 C ATOM 1575 CD1 LEU A 102 -5.632 -9.572 7.163 1.00 0.36 C ATOM 1576 CD2 LEU A 102 -6.296 -11.787 6.208 1.00 0.16 C ATOM 0 H LEU A 102 -8.241 -11.063 10.180 1.00 0.14 H new ATOM 0 HA LEU A 102 -7.718 -12.933 8.104 1.00 0.16 H new ATOM 0 HB2 LEU A 102 -6.345 -10.679 9.462 1.00 0.21 H new ATOM 0 HB3 LEU A 102 -5.298 -11.866 8.710 1.00 0.21 H new ATOM 0 HG LEU A 102 -7.568 -10.450 7.279 1.00 0.22 H new ATOM 0 HD11 LEU A 102 -5.810 -9.117 6.189 1.00 0.36 H new ATOM 0 HD12 LEU A 102 -5.851 -8.847 7.947 1.00 0.36 H new ATOM 0 HD13 LEU A 102 -4.589 -9.880 7.234 1.00 0.36 H new ATOM 0 HD21 LEU A 102 -6.462 -11.302 5.246 1.00 0.16 H new ATOM 0 HD22 LEU A 102 -5.271 -12.153 6.257 1.00 0.16 H new ATOM 0 HD23 LEU A 102 -6.986 -12.624 6.316 1.00 0.16 H new ATOM 1588 N ASP A 103 -6.164 -13.410 10.993 1.00 0.17 N ATOM 1589 CA ASP A 103 -5.507 -14.431 11.802 1.00 0.22 C ATOM 1590 C ASP A 103 -6.345 -15.708 11.823 1.00 0.21 C ATOM 1591 O ASP A 103 -5.814 -16.818 11.861 1.00 0.24 O ATOM 1592 CB ASP A 103 -5.287 -13.922 13.229 1.00 0.25 C ATOM 1593 CG ASP A 103 -3.951 -14.361 13.796 1.00 0.32 C ATOM 1594 OD1 ASP A 103 -2.948 -14.311 13.054 1.00 1.14 O ATOM 1595 OD2 ASP A 103 -3.908 -14.756 14.980 1.00 1.15 O ATOM 0 H ASP A 103 -6.237 -12.496 11.439 1.00 0.17 H new ATOM 0 HA ASP A 103 -4.537 -14.654 11.358 1.00 0.22 H new ATOM 0 HB2 ASP A 103 -5.343 -12.833 13.237 1.00 0.25 H new ATOM 0 HB3 ASP A 103 -6.089 -14.287 13.870 1.00 0.25 H new ATOM 1600 N ALA A 104 -7.665 -15.534 11.793 1.00 0.18 N ATOM 1601 CA ALA A 104 -8.593 -16.658 11.804 1.00 0.21 C ATOM 1602 C ALA A 104 -8.608 -17.409 10.476 1.00 0.18 C ATOM 1603 O ALA A 104 -8.996 -18.577 10.429 1.00 0.20 O ATOM 1604 CB ALA A 104 -9.996 -16.180 12.151 1.00 0.22 C ATOM 0 H ALA A 104 -8.116 -14.619 11.761 1.00 0.18 H new ATOM 0 HA ALA A 104 -8.247 -17.354 12.568 1.00 0.21 H new ATOM 0 HB1 ALA A 104 -10.679 -17.029 12.156 1.00 0.22 H new ATOM 0 HB2 ALA A 104 -9.989 -15.715 13.137 1.00 0.22 H new ATOM 0 HB3 ALA A 104 -10.326 -15.453 11.409 1.00 0.22 H new ATOM 1610 N ASN A 105 -8.198 -16.749 9.393 1.00 0.16 N ATOM 1611 CA ASN A 105 -8.193 -17.393 8.080 1.00 0.15 C ATOM 1612 C ASN A 105 -6.768 -17.677 7.603 1.00 0.19 C ATOM 1613 O ASN A 105 -6.521 -18.676 6.929 1.00 0.36 O ATOM 1614 CB ASN A 105 -8.917 -16.513 7.060 1.00 0.16 C ATOM 1615 CG ASN A 105 -9.823 -17.312 6.146 1.00 0.22 C ATOM 1616 OD1 ASN A 105 -10.249 -18.415 6.484 1.00 0.38 O ATOM 1617 ND2 ASN A 105 -10.120 -16.757 4.978 1.00 0.20 N ATOM 0 H ASN A 105 -7.870 -15.783 9.397 1.00 0.16 H new ATOM 0 HA ASN A 105 -8.715 -18.345 8.173 1.00 0.15 H new ATOM 0 HB2 ASN A 105 -9.507 -15.762 7.586 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -8.182 -15.977 6.460 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.724 -17.248 4.319 1.00 0.20 H new ATOM 0 HD22 ASN A 105 -9.744 -15.839 4.739 1.00 0.20 H new ATOM 1624 N LEU A 106 -5.836 -16.807 7.965 1.00 0.15 N ATOM 1625 CA LEU A 106 -4.436 -16.976 7.585 1.00 0.15 C ATOM 1626 C LEU A 106 -3.770 -17.999 8.494 1.00 0.25 C ATOM 1627 O LEU A 106 -3.439 -17.700 9.641 1.00 1.08 O ATOM 1628 CB LEU A 106 -3.695 -15.645 7.682 1.00 0.15 C ATOM 1629 CG LEU A 106 -2.300 -15.630 7.057 1.00 0.29 C ATOM 1630 CD1 LEU A 106 -1.318 -16.401 7.928 1.00 1.37 C ATOM 1631 CD2 LEU A 106 -2.340 -16.209 5.649 1.00 1.31 C ATOM 0 H LEU A 106 -6.022 -15.974 8.523 1.00 0.15 H new ATOM 0 HA LEU A 106 -4.396 -17.329 6.555 1.00 0.15 H new ATOM 0 HB2 LEU A 106 -4.299 -14.875 7.202 1.00 0.15 H new ATOM 0 HB3 LEU A 106 -3.608 -15.372 8.734 1.00 0.15 H new ATOM 0 HG LEU A 106 -1.961 -14.596 6.992 1.00 0.29 H new ATOM 0 HD11 LEU A 106 -0.330 -16.380 7.468 1.00 1.37 H new ATOM 0 HD12 LEU A 106 -1.269 -15.941 8.915 1.00 1.37 H new ATOM 0 HD13 LEU A 106 -1.651 -17.434 8.025 1.00 1.37 H new ATOM 0 HD21 LEU A 106 -1.338 -16.190 5.219 1.00 1.31 H new ATOM 0 HD22 LEU A 106 -2.699 -17.237 5.689 1.00 1.31 H new ATOM 0 HD23 LEU A 106 -3.011 -15.614 5.030 1.00 1.31 H new