USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.7!) USER MOD Set 1.2: A 6 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.01) USER MOD Single : A 8 SER OG : rot -31:sc= 0.637 USER MOD Single : A 10 TYR OH : rot 150:sc= 0 USER MOD Single : A 11 THR OG1 : rot -88:sc= 0.728 USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.15) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.456) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 5:sc= 0.606 USER MOD Single : A 34 ASN : amide:sc=-0.00743 K(o=-0.0074,f=-1.8!) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 1.8 (180deg=1.65) USER MOD Single : A 44 THR OG1 : rot -94:sc= 1.6 USER MOD Single : A 46 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-5.6!) USER MOD Single : A 50 SER OG : rot -97:sc= 1.33 USER MOD Single : A 54 TYR OH : rot 26:sc= 1.24 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.602 USER MOD Single : A 69 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.22) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= 1.23 (180deg=0.724) USER MOD Single : A 78 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0.585) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= 0.586 (180deg=0.446) USER MOD Single : A 85 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 13.172 10.160 -9.232 1.00 0.00 N ATOM 2 CA GLU A 2 12.848 8.882 -8.619 1.00 0.00 C ATOM 3 C GLU A 2 12.430 9.111 -7.172 1.00 0.00 C ATOM 4 O GLU A 2 12.659 10.210 -6.619 1.00 0.00 O ATOM 5 CB GLU A 2 14.040 7.926 -8.674 1.00 0.00 C ATOM 6 CG GLU A 2 15.229 8.358 -7.839 1.00 0.00 C ATOM 7 CD GLU A 2 16.337 7.354 -7.881 1.00 0.00 C ATOM 8 OE1 GLU A 2 16.264 6.347 -7.153 1.00 0.00 O ATOM 9 OE2 GLU A 2 17.300 7.556 -8.628 1.00 0.00 O ATOM 0 HA GLU A 2 12.028 8.427 -9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.716 6.941 -8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.359 7.822 -9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.596 9.319 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.913 8.506 -6.806 1.00 0.00 H new ATOM 16 N LEU A 3 11.841 8.091 -6.567 1.00 0.00 N ATOM 17 CA LEU A 3 11.363 8.110 -5.200 1.00 0.00 C ATOM 18 C LEU A 3 10.203 9.088 -5.042 1.00 0.00 C ATOM 19 O LEU A 3 9.636 9.560 -6.031 1.00 0.00 O ATOM 20 CB LEU A 3 12.496 8.375 -4.189 1.00 0.00 C ATOM 21 CG LEU A 3 13.628 7.337 -4.157 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.667 7.703 -3.114 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.071 5.946 -3.889 1.00 0.00 C ATOM 0 H LEU A 3 11.679 7.198 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 3 10.984 7.114 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.931 9.350 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.059 8.437 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 3 14.112 7.333 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.458 6.953 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.092 8.678 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.198 7.741 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.888 5.224 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.558 5.939 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.368 5.677 -4.677 1.00 0.00 H new ATOM 35 N LYS A 4 9.851 9.384 -3.831 1.00 0.00 N ATOM 36 CA LYS A 4 8.690 10.207 -3.571 1.00 0.00 C ATOM 37 C LYS A 4 8.921 11.080 -2.360 1.00 0.00 C ATOM 38 O LYS A 4 9.882 10.872 -1.624 1.00 0.00 O ATOM 39 CB LYS A 4 7.453 9.323 -3.307 1.00 0.00 C ATOM 40 CG LYS A 4 7.424 8.591 -1.947 1.00 0.00 C ATOM 41 CD LYS A 4 8.469 7.490 -1.809 1.00 0.00 C ATOM 42 CE LYS A 4 8.409 6.905 -0.423 1.00 0.00 C ATOM 43 NZ LYS A 4 9.446 5.882 -0.153 1.00 0.00 N ATOM 0 H LYS A 4 10.347 9.071 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 4 8.520 10.831 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.562 9.947 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.387 8.578 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.573 9.320 -1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.434 8.158 -1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.291 6.711 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.463 7.893 -2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.510 7.710 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.426 6.460 -0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.462 5.663 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.229 5.018 -0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.376 6.246 -0.443 1.00 0.00 H new ATOM 57 N HIS A 5 8.048 12.043 -2.150 1.00 0.00 N ATOM 58 CA HIS A 5 8.107 12.836 -0.936 1.00 0.00 C ATOM 59 C HIS A 5 7.230 12.191 0.150 1.00 0.00 C ATOM 60 O HIS A 5 7.651 12.040 1.301 1.00 0.00 O ATOM 61 CB HIS A 5 7.751 14.336 -1.181 1.00 0.00 C ATOM 62 CG HIS A 5 6.330 14.636 -1.606 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.837 14.427 -2.873 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.302 15.157 -0.894 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.566 14.818 -2.897 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.188 15.270 -1.719 1.00 0.00 N ATOM 0 H HIS A 5 7.298 12.295 -2.793 1.00 0.00 H new ATOM 0 HA HIS A 5 9.138 12.842 -0.583 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.956 14.889 -0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.424 14.725 -1.945 1.00 0.00 H new ATOM 0 HD1 HIS A 5 6.357 14.039 -3.660 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.341 15.439 0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.928 14.771 -3.767 1.00 0.00 H new ATOM 74 N SER A 6 6.031 11.771 -0.239 1.00 0.00 N ATOM 75 CA SER A 6 5.089 11.125 0.646 1.00 0.00 C ATOM 76 C SER A 6 4.208 10.216 -0.189 1.00 0.00 C ATOM 77 O SER A 6 4.472 10.007 -1.366 1.00 0.00 O ATOM 78 CB SER A 6 4.193 12.158 1.299 1.00 0.00 C ATOM 79 OG SER A 6 4.935 13.227 1.881 1.00 0.00 O ATOM 0 H SER A 6 5.688 11.875 -1.194 1.00 0.00 H new ATOM 0 HA SER A 6 5.633 10.572 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.504 12.559 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.588 11.677 2.068 1.00 0.00 H new ATOM 0 HG SER A 6 4.318 13.870 2.289 1.00 0.00 H new ATOM 85 N ILE A 7 3.150 9.718 0.403 1.00 0.00 N ATOM 86 CA ILE A 7 2.214 8.862 -0.286 1.00 0.00 C ATOM 87 C ILE A 7 1.389 9.661 -1.308 1.00 0.00 C ATOM 88 O ILE A 7 1.004 9.140 -2.331 1.00 0.00 O ATOM 89 CB ILE A 7 1.270 8.155 0.713 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.540 7.002 0.031 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.276 9.147 1.347 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.330 6.203 0.953 1.00 0.00 C ATOM 0 H ILE A 7 2.913 9.895 1.379 1.00 0.00 H new ATOM 0 HA ILE A 7 2.791 8.104 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 7 1.877 7.746 1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.074 7.401 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.275 6.339 -0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.373 8.617 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.826 9.922 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.329 9.605 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.814 5.403 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.280 5.773 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.090 6.852 1.390 1.00 0.00 H new ATOM 104 N SER A 8 1.193 10.958 -1.044 1.00 0.00 N ATOM 105 CA SER A 8 0.418 11.818 -1.929 1.00 0.00 C ATOM 106 C SER A 8 1.282 12.264 -3.120 1.00 0.00 C ATOM 107 O SER A 8 0.934 13.183 -3.865 1.00 0.00 O ATOM 108 CB SER A 8 -0.166 13.017 -1.150 1.00 0.00 C ATOM 109 OG SER A 8 -0.979 13.849 -1.978 1.00 0.00 O ATOM 0 H SER A 8 1.564 11.431 -0.220 1.00 0.00 H new ATOM 0 HA SER A 8 -0.427 11.256 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.758 12.651 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.648 13.608 -0.731 1.00 0.00 H new ATOM 0 HG SER A 8 -0.639 13.828 -2.897 1.00 0.00 H new ATOM 115 N ASP A 9 2.419 11.629 -3.255 1.00 0.00 N ATOM 116 CA ASP A 9 3.259 11.772 -4.432 1.00 0.00 C ATOM 117 C ASP A 9 2.711 10.778 -5.458 1.00 0.00 C ATOM 118 O ASP A 9 2.721 11.008 -6.666 1.00 0.00 O ATOM 119 CB ASP A 9 4.685 11.376 -4.068 1.00 0.00 C ATOM 120 CG ASP A 9 5.746 11.789 -5.063 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.771 11.289 -6.193 1.00 0.00 O ATOM 122 OD2 ASP A 9 6.624 12.590 -4.680 1.00 0.00 O ATOM 0 H ASP A 9 2.796 10.994 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 9 3.260 12.792 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.929 11.812 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.724 10.293 -3.949 1.00 0.00 H new ATOM 127 N TYR A 10 2.167 9.698 -4.923 1.00 0.00 N ATOM 128 CA TYR A 10 1.600 8.615 -5.684 1.00 0.00 C ATOM 129 C TYR A 10 0.105 8.798 -5.807 1.00 0.00 C ATOM 130 O TYR A 10 -0.554 9.251 -4.869 1.00 0.00 O ATOM 131 CB TYR A 10 1.857 7.265 -4.977 1.00 0.00 C ATOM 132 CG TYR A 10 3.290 6.791 -4.985 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.766 6.084 -6.069 1.00 0.00 C ATOM 134 CD2 TYR A 10 4.170 7.036 -3.921 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.060 5.634 -6.117 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.459 6.588 -3.974 1.00 0.00 C ATOM 137 CZ TYR A 10 5.902 5.890 -5.073 1.00 0.00 C ATOM 138 OH TYR A 10 7.201 5.460 -5.135 1.00 0.00 O ATOM 0 H TYR A 10 2.110 9.553 -3.915 1.00 0.00 H new ATOM 0 HA TYR A 10 2.067 8.615 -6.669 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.526 7.348 -3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.238 6.503 -5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.105 5.880 -6.898 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.826 7.582 -3.055 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.411 5.080 -6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.132 6.782 -3.152 1.00 0.00 H new ATOM 0 HH TYR A 10 7.773 6.071 -4.625 1.00 0.00 H new ATOM 148 N THR A 11 -0.421 8.502 -6.955 1.00 0.00 N ATOM 149 CA THR A 11 -1.847 8.457 -7.133 1.00 0.00 C ATOM 150 C THR A 11 -2.326 7.090 -6.655 1.00 0.00 C ATOM 151 O THR A 11 -1.488 6.217 -6.348 1.00 0.00 O ATOM 152 CB THR A 11 -2.229 8.647 -8.613 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.510 7.711 -9.422 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.918 10.046 -9.083 1.00 0.00 C ATOM 0 H THR A 11 0.118 8.285 -7.793 1.00 0.00 H new ATOM 0 HA THR A 11 -2.313 9.262 -6.565 1.00 0.00 H new ATOM 0 HB THR A 11 -3.302 8.479 -8.707 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.649 8.099 -9.684 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.199 10.149 -10.131 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.479 10.764 -8.485 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.851 10.238 -8.973 1.00 0.00 H new ATOM 162 N GLU A 12 -3.629 6.874 -6.619 1.00 0.00 N ATOM 163 CA GLU A 12 -4.167 5.608 -6.160 1.00 0.00 C ATOM 164 C GLU A 12 -3.693 4.483 -7.070 1.00 0.00 C ATOM 165 O GLU A 12 -3.362 3.427 -6.605 1.00 0.00 O ATOM 166 CB GLU A 12 -5.697 5.647 -6.090 1.00 0.00 C ATOM 167 CG GLU A 12 -6.327 4.463 -5.352 1.00 0.00 C ATOM 168 CD GLU A 12 -7.834 4.549 -5.292 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.373 5.679 -5.133 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.516 3.497 -5.460 1.00 0.00 O ATOM 0 H GLU A 12 -4.332 7.557 -6.901 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.799 5.423 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.003 6.570 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.094 5.680 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.039 3.536 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.929 4.419 -4.338 1.00 0.00 H new ATOM 177 N ALA A 13 -3.595 4.764 -8.362 1.00 0.00 N ATOM 178 CA ALA A 13 -3.148 3.773 -9.341 1.00 0.00 C ATOM 179 C ALA A 13 -1.677 3.392 -9.136 1.00 0.00 C ATOM 180 O ALA A 13 -1.344 2.221 -9.096 1.00 0.00 O ATOM 181 CB ALA A 13 -3.369 4.277 -10.754 1.00 0.00 C ATOM 0 H ALA A 13 -3.820 5.675 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.747 2.875 -9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.030 3.525 -11.466 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.430 4.471 -10.909 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.806 5.198 -10.904 1.00 0.00 H new ATOM 187 N GLU A 14 -0.815 4.387 -8.959 1.00 0.00 N ATOM 188 CA GLU A 14 0.640 4.152 -8.772 1.00 0.00 C ATOM 189 C GLU A 14 0.902 3.461 -7.456 1.00 0.00 C ATOM 190 O GLU A 14 1.859 2.689 -7.310 1.00 0.00 O ATOM 191 CB GLU A 14 1.381 5.464 -8.798 1.00 0.00 C ATOM 192 CG GLU A 14 1.228 6.244 -10.071 1.00 0.00 C ATOM 193 CD GLU A 14 1.710 7.646 -9.897 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.024 8.420 -9.230 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.773 8.011 -10.434 1.00 0.00 O ATOM 0 H GLU A 14 -1.084 5.371 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 14 0.990 3.515 -9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.034 6.078 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.441 5.271 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.789 5.759 -10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.181 6.250 -10.375 1.00 0.00 H new ATOM 202 N PHE A 15 0.073 3.748 -6.504 1.00 0.00 N ATOM 203 CA PHE A 15 0.146 3.106 -5.234 1.00 0.00 C ATOM 204 C PHE A 15 -0.451 1.734 -5.342 1.00 0.00 C ATOM 205 O PHE A 15 -0.042 0.845 -4.692 1.00 0.00 O ATOM 206 CB PHE A 15 -0.538 3.927 -4.165 1.00 0.00 C ATOM 207 CG PHE A 15 -0.419 3.344 -2.797 1.00 0.00 C ATOM 208 CD1 PHE A 15 -1.371 2.460 -2.324 1.00 0.00 C ATOM 209 CD2 PHE A 15 0.637 3.688 -1.981 1.00 0.00 C ATOM 210 CE1 PHE A 15 -1.277 1.936 -1.072 1.00 0.00 C ATOM 211 CE2 PHE A 15 0.736 3.162 -0.720 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.226 2.287 -0.268 1.00 0.00 C ATOM 0 H PHE A 15 -0.675 4.436 -6.587 1.00 0.00 H new ATOM 0 HA PHE A 15 1.191 3.014 -4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.113 4.931 -4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.594 4.029 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.201 2.182 -2.957 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.390 4.375 -2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.028 1.247 -0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.565 3.433 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.151 1.875 0.727 1.00 0.00 H new ATOM 222 N LEU A 16 -1.419 1.574 -6.160 1.00 0.00 N ATOM 223 CA LEU A 16 -1.993 0.270 -6.373 1.00 0.00 C ATOM 224 C LEU A 16 -0.983 -0.618 -7.088 1.00 0.00 C ATOM 225 O LEU A 16 -0.998 -1.838 -6.976 1.00 0.00 O ATOM 226 CB LEU A 16 -3.341 0.412 -7.082 1.00 0.00 C ATOM 227 CG LEU A 16 -4.160 -0.825 -7.259 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.627 -0.467 -7.308 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.806 -1.518 -8.523 1.00 0.00 C ATOM 0 H LEU A 16 -1.845 2.324 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.210 -0.229 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.939 1.135 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.159 0.839 -8.068 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.957 -1.484 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.219 -1.373 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.913 0.024 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.809 0.207 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.416 -2.415 -8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.990 -0.853 -9.367 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.752 -1.796 -8.503 1.00 0.00 H new ATOM 241 N GLU A 17 -0.106 0.008 -7.779 1.00 0.00 N ATOM 242 CA GLU A 17 1.023 -0.666 -8.335 1.00 0.00 C ATOM 243 C GLU A 17 2.026 -1.044 -7.224 1.00 0.00 C ATOM 244 O GLU A 17 2.816 -1.926 -7.426 1.00 0.00 O ATOM 245 CB GLU A 17 1.734 0.161 -9.406 1.00 0.00 C ATOM 246 CG GLU A 17 0.925 0.424 -10.657 1.00 0.00 C ATOM 247 CD GLU A 17 0.499 -0.847 -11.340 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.371 -1.667 -11.700 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.716 -1.049 -11.532 1.00 0.00 O ATOM 0 H GLU A 17 -0.144 1.007 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 17 0.643 -1.568 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.023 1.118 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.653 -0.352 -9.688 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.042 1.009 -10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.515 1.025 -11.349 1.00 0.00 H new ATOM 256 N PHE A 18 1.962 -0.364 -6.035 1.00 0.00 N ATOM 257 CA PHE A 18 2.894 -0.650 -4.878 1.00 0.00 C ATOM 258 C PHE A 18 2.832 -2.095 -4.581 1.00 0.00 C ATOM 259 O PHE A 18 3.826 -2.802 -4.579 1.00 0.00 O ATOM 260 CB PHE A 18 2.532 0.171 -3.520 1.00 0.00 C ATOM 261 CG PHE A 18 1.737 -0.575 -2.334 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.338 -0.649 -2.291 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.420 -1.187 -1.288 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.329 -1.308 -1.241 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.750 -1.835 -0.255 1.00 0.00 C ATOM 266 CZ PHE A 18 0.386 -1.893 -0.237 1.00 0.00 C ATOM 0 H PHE A 18 1.287 0.377 -5.848 1.00 0.00 H new ATOM 0 HA PHE A 18 3.889 -0.328 -5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.468 0.543 -3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.944 1.042 -3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.240 -0.191 -3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.500 -1.158 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.408 -1.351 -1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.315 -2.297 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.125 -2.400 0.568 1.00 0.00 H new ATOM 276 N VAL A 19 1.640 -2.519 -4.424 1.00 0.00 N ATOM 277 CA VAL A 19 1.336 -3.826 -3.990 1.00 0.00 C ATOM 278 C VAL A 19 1.601 -4.850 -5.073 1.00 0.00 C ATOM 279 O VAL A 19 2.091 -5.946 -4.796 1.00 0.00 O ATOM 280 CB VAL A 19 -0.107 -3.884 -3.440 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.125 -3.469 -4.461 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.421 -5.207 -2.803 1.00 0.00 C ATOM 0 H VAL A 19 0.816 -1.944 -4.601 1.00 0.00 H new ATOM 0 HA VAL A 19 2.004 -4.088 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.167 -3.145 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.122 -3.527 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.926 -2.445 -4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.067 -4.133 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.446 -5.198 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.309 -6.002 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.264 -5.383 -1.973 1.00 0.00 H new ATOM 292 N LYS A 20 1.328 -4.475 -6.301 1.00 0.00 N ATOM 293 CA LYS A 20 1.586 -5.343 -7.411 1.00 0.00 C ATOM 294 C LYS A 20 3.077 -5.513 -7.583 1.00 0.00 C ATOM 295 O LYS A 20 3.561 -6.598 -7.823 1.00 0.00 O ATOM 296 CB LYS A 20 0.972 -4.815 -8.689 1.00 0.00 C ATOM 297 CG LYS A 20 -0.508 -4.698 -8.584 1.00 0.00 C ATOM 298 CD LYS A 20 -1.163 -4.593 -9.918 1.00 0.00 C ATOM 299 CE LYS A 20 -2.641 -4.519 -9.757 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.382 -4.692 -11.015 1.00 0.00 N ATOM 0 H LYS A 20 0.926 -3.571 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 20 1.126 -6.309 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.398 -3.839 -8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.226 -5.478 -9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.902 -5.566 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.760 -3.821 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.801 -3.708 -10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.899 -5.455 -10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.959 -5.285 -9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.902 -3.555 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.361 -4.366 -10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.926 -4.135 -11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.383 -5.697 -11.282 1.00 0.00 H new ATOM 314 N LYS A 21 3.791 -4.426 -7.393 1.00 0.00 N ATOM 315 CA LYS A 21 5.233 -4.383 -7.489 1.00 0.00 C ATOM 316 C LYS A 21 5.851 -5.238 -6.396 1.00 0.00 C ATOM 317 O LYS A 21 6.821 -5.901 -6.629 1.00 0.00 O ATOM 318 CB LYS A 21 5.719 -2.926 -7.385 1.00 0.00 C ATOM 319 CG LYS A 21 7.208 -2.709 -7.580 1.00 0.00 C ATOM 320 CD LYS A 21 7.561 -1.223 -7.509 1.00 0.00 C ATOM 321 CE LYS A 21 7.343 -0.632 -6.117 1.00 0.00 C ATOM 322 NZ LYS A 21 7.617 0.821 -6.086 1.00 0.00 N ATOM 0 H LYS A 21 3.374 -3.524 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 21 5.544 -4.783 -8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.185 -2.331 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.440 -2.539 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.761 -3.254 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.514 -3.113 -8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.603 -1.087 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.956 -0.675 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.316 -0.815 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.991 -1.139 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.842 1.111 -5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.424 1.035 -6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.778 1.340 -6.417 1.00 0.00 H new ATOM 336 N ILE A 22 5.278 -5.222 -5.215 1.00 0.00 N ATOM 337 CA ILE A 22 5.763 -6.087 -4.140 1.00 0.00 C ATOM 338 C ILE A 22 5.510 -7.541 -4.527 1.00 0.00 C ATOM 339 O ILE A 22 6.388 -8.392 -4.427 1.00 0.00 O ATOM 340 CB ILE A 22 5.060 -5.783 -2.790 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.270 -4.318 -2.414 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.601 -6.697 -1.687 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.586 -3.897 -1.148 1.00 0.00 C ATOM 0 H ILE A 22 4.485 -4.631 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 22 6.829 -5.901 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 22 3.992 -5.972 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.339 -4.131 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.912 -3.691 -3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.097 -6.471 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.419 -7.738 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.673 -6.534 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.789 -2.843 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.511 -4.047 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.960 -4.494 -0.316 1.00 0.00 H new ATOM 355 N CYS A 23 4.317 -7.785 -5.026 1.00 0.00 N ATOM 356 CA CYS A 23 3.889 -9.097 -5.443 1.00 0.00 C ATOM 357 C CYS A 23 4.799 -9.657 -6.570 1.00 0.00 C ATOM 358 O CYS A 23 5.184 -10.824 -6.543 1.00 0.00 O ATOM 359 CB CYS A 23 2.419 -9.020 -5.916 1.00 0.00 C ATOM 360 SG CYS A 23 1.659 -10.591 -6.395 1.00 0.00 S ATOM 0 H CYS A 23 3.608 -7.063 -5.154 1.00 0.00 H new ATOM 0 HA CYS A 23 3.966 -9.780 -4.597 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.823 -8.579 -5.117 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.366 -8.339 -6.766 1.00 0.00 H new ATOM 0 HG CYS A 23 0.431 -10.383 -6.767 1.00 0.00 H new ATOM 366 N ARG A 24 5.142 -8.819 -7.545 1.00 0.00 N ATOM 367 CA ARG A 24 5.916 -9.271 -8.699 1.00 0.00 C ATOM 368 C ARG A 24 7.426 -8.960 -8.644 1.00 0.00 C ATOM 369 O ARG A 24 8.253 -9.822 -8.907 1.00 0.00 O ATOM 370 CB ARG A 24 5.306 -8.750 -10.008 1.00 0.00 C ATOM 371 CG ARG A 24 5.300 -7.253 -10.204 1.00 0.00 C ATOM 372 CD ARG A 24 4.738 -6.935 -11.560 1.00 0.00 C ATOM 373 NE ARG A 24 4.684 -5.495 -11.837 1.00 0.00 N ATOM 374 CZ ARG A 24 5.371 -4.881 -12.809 1.00 0.00 C ATOM 375 NH1 ARG A 24 6.343 -5.519 -13.437 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.117 -3.614 -13.105 1.00 0.00 N ATOM 0 H ARG A 24 4.898 -7.829 -7.560 1.00 0.00 H new ATOM 0 HA ARG A 24 5.850 -10.358 -8.664 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.849 -9.200 -10.839 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.277 -9.105 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.702 -6.775 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.312 -6.858 -10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.345 -7.423 -12.322 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.734 -7.352 -11.638 1.00 0.00 H new ATOM 0 HE ARG A 24 4.081 -4.921 -11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.571 -6.480 -13.182 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.866 -5.051 -14.177 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.397 -3.105 -12.592 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.641 -3.148 -13.846 1.00 0.00 H new ATOM 390 N ALA A 25 7.764 -7.768 -8.247 1.00 0.00 N ATOM 391 CA ALA A 25 9.120 -7.225 -8.346 1.00 0.00 C ATOM 392 C ALA A 25 9.813 -7.168 -6.992 1.00 0.00 C ATOM 393 O ALA A 25 10.732 -6.363 -6.803 1.00 0.00 O ATOM 394 CB ALA A 25 9.070 -5.840 -8.980 1.00 0.00 C ATOM 0 H ALA A 25 7.098 -7.116 -7.832 1.00 0.00 H new ATOM 0 HA ALA A 25 9.706 -7.894 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.080 -5.437 -9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.635 -5.912 -9.977 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.459 -5.180 -8.364 1.00 0.00 H new ATOM 400 N GLU A 26 9.337 -8.007 -6.062 1.00 0.00 N ATOM 401 CA GLU A 26 9.825 -8.129 -4.661 1.00 0.00 C ATOM 402 C GLU A 26 11.342 -7.880 -4.498 1.00 0.00 C ATOM 403 O GLU A 26 11.763 -7.150 -3.608 1.00 0.00 O ATOM 404 CB GLU A 26 9.458 -9.526 -4.109 1.00 0.00 C ATOM 405 CG GLU A 26 10.068 -10.694 -4.894 1.00 0.00 C ATOM 406 CD GLU A 26 9.583 -12.039 -4.435 1.00 0.00 C ATOM 407 OE1 GLU A 26 10.043 -12.533 -3.392 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.750 -12.645 -5.133 1.00 0.00 O ATOM 0 H GLU A 26 8.571 -8.650 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 26 9.330 -7.343 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.784 -9.591 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.373 -9.630 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.834 -10.573 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.153 -10.657 -4.802 1.00 0.00 H new ATOM 415 N GLY A 27 12.134 -8.448 -5.371 1.00 0.00 N ATOM 416 CA GLY A 27 13.546 -8.310 -5.282 1.00 0.00 C ATOM 417 C GLY A 27 14.184 -9.649 -5.356 1.00 0.00 C ATOM 418 O GLY A 27 14.065 -10.335 -6.374 1.00 0.00 O ATOM 0 H GLY A 27 11.811 -9.014 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.911 -7.677 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.815 -7.819 -4.347 1.00 0.00 H new ATOM 422 N ALA A 28 14.823 -10.056 -4.296 1.00 0.00 N ATOM 423 CA ALA A 28 15.458 -11.340 -4.276 1.00 0.00 C ATOM 424 C ALA A 28 15.066 -12.104 -3.031 1.00 0.00 C ATOM 425 O ALA A 28 14.382 -13.117 -3.098 1.00 0.00 O ATOM 426 CB ALA A 28 16.972 -11.190 -4.358 1.00 0.00 C ATOM 0 H ALA A 28 14.917 -9.517 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 28 15.122 -11.904 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.437 -12.176 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.237 -10.679 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.327 -10.608 -3.508 1.00 0.00 H new ATOM 432 N THR A 29 15.459 -11.590 -1.906 1.00 0.00 N ATOM 433 CA THR A 29 15.210 -12.242 -0.650 1.00 0.00 C ATOM 434 C THR A 29 13.970 -11.687 0.023 1.00 0.00 C ATOM 435 O THR A 29 13.416 -10.670 -0.420 1.00 0.00 O ATOM 436 CB THR A 29 16.452 -12.146 0.271 1.00 0.00 C ATOM 437 OG1 THR A 29 16.936 -10.781 0.340 1.00 0.00 O ATOM 438 CG2 THR A 29 17.567 -13.053 -0.236 1.00 0.00 C ATOM 0 H THR A 29 15.962 -10.706 -1.829 1.00 0.00 H new ATOM 0 HA THR A 29 15.022 -13.297 -0.847 1.00 0.00 H new ATOM 0 HB THR A 29 16.153 -12.468 1.268 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.329 -10.193 -0.156 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.431 -12.972 0.424 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.218 -14.085 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.851 -12.751 -1.244 1.00 0.00 H new ATOM 446 N GLU A 30 13.543 -12.343 1.080 1.00 0.00 N ATOM 447 CA GLU A 30 12.362 -11.963 1.833 1.00 0.00 C ATOM 448 C GLU A 30 12.464 -10.536 2.365 1.00 0.00 C ATOM 449 O GLU A 30 11.466 -9.804 2.408 1.00 0.00 O ATOM 450 CB GLU A 30 12.150 -12.947 2.973 1.00 0.00 C ATOM 451 CG GLU A 30 11.055 -12.554 3.949 1.00 0.00 C ATOM 452 CD GLU A 30 10.901 -13.534 5.060 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.593 -13.397 6.095 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.092 -14.468 4.917 1.00 0.00 O ATOM 0 H GLU A 30 14.013 -13.170 1.449 1.00 0.00 H new ATOM 0 HA GLU A 30 11.504 -11.993 1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.911 -13.924 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.086 -13.056 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.279 -11.571 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.110 -12.466 3.413 1.00 0.00 H new ATOM 461 N GLU A 31 13.674 -10.122 2.736 1.00 0.00 N ATOM 462 CA GLU A 31 13.871 -8.781 3.229 1.00 0.00 C ATOM 463 C GLU A 31 13.565 -7.770 2.137 1.00 0.00 C ATOM 464 O GLU A 31 13.128 -6.684 2.416 1.00 0.00 O ATOM 465 CB GLU A 31 15.288 -8.550 3.756 1.00 0.00 C ATOM 466 CG GLU A 31 16.383 -8.630 2.705 1.00 0.00 C ATOM 467 CD GLU A 31 17.666 -8.026 3.188 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.827 -6.795 3.072 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.534 -8.753 3.705 1.00 0.00 O ATOM 0 H GLU A 31 14.517 -10.696 2.702 1.00 0.00 H new ATOM 0 HA GLU A 31 13.184 -8.649 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.329 -7.568 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.496 -9.286 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.552 -9.672 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.057 -8.115 1.801 1.00 0.00 H new ATOM 476 N ASP A 32 13.772 -8.162 0.886 1.00 0.00 N ATOM 477 CA ASP A 32 13.545 -7.279 -0.248 1.00 0.00 C ATOM 478 C ASP A 32 12.080 -7.047 -0.442 1.00 0.00 C ATOM 479 O ASP A 32 11.650 -5.940 -0.771 1.00 0.00 O ATOM 480 CB ASP A 32 14.183 -7.818 -1.524 1.00 0.00 C ATOM 481 CG ASP A 32 15.676 -7.896 -1.425 1.00 0.00 C ATOM 482 OD1 ASP A 32 16.331 -6.821 -1.340 1.00 0.00 O ATOM 483 OD2 ASP A 32 16.220 -9.021 -1.441 1.00 0.00 O ATOM 0 H ASP A 32 14.099 -9.094 0.631 1.00 0.00 H new ATOM 0 HA ASP A 32 14.025 -6.326 -0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.783 -8.809 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.910 -7.178 -2.363 1.00 0.00 H new ATOM 488 N ASP A 33 11.325 -8.082 -0.208 1.00 0.00 N ATOM 489 CA ASP A 33 9.870 -8.031 -0.267 1.00 0.00 C ATOM 490 C ASP A 33 9.369 -7.111 0.834 1.00 0.00 C ATOM 491 O ASP A 33 8.673 -6.119 0.581 1.00 0.00 O ATOM 492 CB ASP A 33 9.320 -9.457 -0.069 1.00 0.00 C ATOM 493 CG ASP A 33 7.803 -9.576 -0.103 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.148 -9.405 0.948 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.258 -9.929 -1.159 1.00 0.00 O ATOM 0 H ASP A 33 11.695 -9.001 0.033 1.00 0.00 H new ATOM 0 HA ASP A 33 9.533 -7.648 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.737 -10.101 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.677 -9.838 0.888 1.00 0.00 H new ATOM 500 N ASN A 34 9.823 -7.390 2.043 1.00 0.00 N ATOM 501 CA ASN A 34 9.418 -6.670 3.224 1.00 0.00 C ATOM 502 C ASN A 34 9.871 -5.207 3.197 1.00 0.00 C ATOM 503 O ASN A 34 9.114 -4.333 3.571 1.00 0.00 O ATOM 504 CB ASN A 34 9.963 -7.367 4.460 1.00 0.00 C ATOM 505 CG ASN A 34 9.430 -6.804 5.758 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.280 -6.376 5.852 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.248 -6.796 6.761 1.00 0.00 N ATOM 0 H ASN A 34 10.494 -8.136 2.228 1.00 0.00 H new ATOM 0 HA ASN A 34 8.328 -6.667 3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.718 -8.428 4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.050 -7.291 4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.946 -6.427 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.195 -7.158 6.650 1.00 0.00 H new ATOM 514 N LYS A 35 11.097 -4.932 2.726 1.00 0.00 N ATOM 515 CA LYS A 35 11.612 -3.549 2.683 1.00 0.00 C ATOM 516 C LYS A 35 10.772 -2.662 1.780 1.00 0.00 C ATOM 517 O LYS A 35 10.755 -1.433 1.945 1.00 0.00 O ATOM 518 CB LYS A 35 13.088 -3.478 2.286 1.00 0.00 C ATOM 519 CG LYS A 35 13.378 -3.902 0.875 1.00 0.00 C ATOM 520 CD LYS A 35 14.863 -3.927 0.589 1.00 0.00 C ATOM 521 CE LYS A 35 15.612 -4.918 1.485 1.00 0.00 C ATOM 522 NZ LYS A 35 16.992 -5.159 1.030 1.00 0.00 N ATOM 0 H LYS A 35 11.745 -5.636 2.373 1.00 0.00 H new ATOM 0 HA LYS A 35 11.534 -3.170 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.439 -2.455 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.664 -4.106 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.958 -4.892 0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.886 -3.219 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.025 -4.192 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.275 -2.928 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.631 -4.537 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.070 -5.863 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.517 -5.668 1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.976 -5.730 0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.458 -4.249 0.838 1.00 0.00 H new ATOM 536 N LEU A 36 10.082 -3.269 0.816 1.00 0.00 N ATOM 537 CA LEU A 36 9.144 -2.522 0.023 1.00 0.00 C ATOM 538 C LEU A 36 7.940 -2.244 0.881 1.00 0.00 C ATOM 539 O LEU A 36 7.584 -1.104 1.096 1.00 0.00 O ATOM 540 CB LEU A 36 8.729 -3.273 -1.251 1.00 0.00 C ATOM 541 CG LEU A 36 9.837 -3.551 -2.265 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.292 -4.341 -3.445 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.459 -2.243 -2.743 1.00 0.00 C ATOM 0 H LEU A 36 10.161 -4.258 0.578 1.00 0.00 H new ATOM 0 HA LEU A 36 9.614 -1.595 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.287 -4.225 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.947 -2.698 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 36 10.610 -4.146 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.095 -4.530 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.889 -5.290 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.502 -3.769 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.247 -2.457 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.693 -1.627 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.882 -1.709 -1.892 1.00 0.00 H new ATOM 555 N VAL A 37 7.383 -3.304 1.442 1.00 0.00 N ATOM 556 CA VAL A 37 6.197 -3.238 2.301 1.00 0.00 C ATOM 557 C VAL A 37 6.349 -2.164 3.400 1.00 0.00 C ATOM 558 O VAL A 37 5.476 -1.325 3.576 1.00 0.00 O ATOM 559 CB VAL A 37 5.920 -4.609 2.983 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.672 -4.529 3.822 1.00 0.00 C ATOM 561 CG2 VAL A 37 5.779 -5.719 1.959 1.00 0.00 C ATOM 0 H VAL A 37 7.741 -4.251 1.316 1.00 0.00 H new ATOM 0 HA VAL A 37 5.360 -2.974 1.654 1.00 0.00 H new ATOM 0 HB VAL A 37 6.773 -4.841 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.488 -5.494 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.799 -3.767 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.824 -4.268 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.586 -6.663 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.949 -5.493 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.700 -5.800 1.382 1.00 0.00 H new ATOM 571 N ARG A 38 7.487 -2.174 4.066 1.00 0.00 N ATOM 572 CA ARG A 38 7.769 -1.272 5.189 1.00 0.00 C ATOM 573 C ARG A 38 7.759 0.210 4.789 1.00 0.00 C ATOM 574 O ARG A 38 7.384 1.061 5.604 1.00 0.00 O ATOM 575 CB ARG A 38 9.107 -1.627 5.855 1.00 0.00 C ATOM 576 CG ARG A 38 9.200 -3.069 6.324 1.00 0.00 C ATOM 577 CD ARG A 38 8.183 -3.398 7.401 1.00 0.00 C ATOM 578 NE ARG A 38 8.505 -2.754 8.679 1.00 0.00 N ATOM 579 CZ ARG A 38 7.642 -2.575 9.684 1.00 0.00 C ATOM 580 NH1 ARG A 38 6.334 -2.767 9.494 1.00 0.00 N ATOM 581 NH2 ARG A 38 8.091 -2.149 10.864 1.00 0.00 N ATOM 0 H ARG A 38 8.255 -2.810 3.849 1.00 0.00 H new ATOM 0 HA ARG A 38 6.958 -1.416 5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.915 -1.432 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.263 -0.967 6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.051 -3.734 5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.203 -3.259 6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.193 -3.079 7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.140 -4.478 7.541 1.00 0.00 H new ATOM 0 HE ARG A 38 9.459 -2.418 8.811 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.988 -3.052 8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.681 -2.629 10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.085 -1.963 10.994 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.440 -2.009 11.637 1.00 0.00 H new ATOM 595 N GLU A 39 8.155 0.542 3.555 1.00 0.00 N ATOM 596 CA GLU A 39 8.135 1.953 3.163 1.00 0.00 C ATOM 597 C GLU A 39 6.693 2.367 2.945 1.00 0.00 C ATOM 598 O GLU A 39 6.264 3.458 3.330 1.00 0.00 O ATOM 599 CB GLU A 39 8.993 2.273 1.904 1.00 0.00 C ATOM 600 CG GLU A 39 8.439 1.758 0.583 1.00 0.00 C ATOM 601 CD GLU A 39 9.202 2.255 -0.610 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.024 3.419 -0.999 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.983 1.487 -1.200 1.00 0.00 O ATOM 0 H GLU A 39 8.478 -0.112 2.842 1.00 0.00 H new ATOM 0 HA GLU A 39 8.591 2.525 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.110 3.354 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.989 1.853 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.456 0.668 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.396 2.060 0.491 1.00 0.00 H new ATOM 610 N PHE A 40 5.927 1.444 2.410 1.00 0.00 N ATOM 611 CA PHE A 40 4.556 1.675 2.113 1.00 0.00 C ATOM 612 C PHE A 40 3.719 1.708 3.386 1.00 0.00 C ATOM 613 O PHE A 40 2.795 2.511 3.492 1.00 0.00 O ATOM 614 CB PHE A 40 4.048 0.673 1.090 1.00 0.00 C ATOM 615 CG PHE A 40 4.718 0.807 -0.272 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.516 1.930 -1.061 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.534 -0.196 -0.761 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.120 2.042 -2.306 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.134 -0.096 -2.000 1.00 0.00 C ATOM 620 CZ PHE A 40 5.930 1.020 -2.774 1.00 0.00 C ATOM 0 H PHE A 40 6.253 0.507 2.171 1.00 0.00 H new ATOM 0 HA PHE A 40 4.457 2.660 1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.210 -0.336 1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.972 0.800 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.881 2.727 -0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.706 -1.077 -0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.959 2.924 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.764 -0.896 -2.361 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.399 1.101 -3.743 1.00 0.00 H new ATOM 630 N GLU A 41 4.057 0.854 4.366 1.00 0.00 N ATOM 631 CA GLU A 41 3.435 0.890 5.694 1.00 0.00 C ATOM 632 C GLU A 41 3.645 2.242 6.358 1.00 0.00 C ATOM 633 O GLU A 41 2.814 2.699 7.113 1.00 0.00 O ATOM 634 CB GLU A 41 3.974 -0.214 6.608 1.00 0.00 C ATOM 635 CG GLU A 41 3.417 -1.598 6.330 1.00 0.00 C ATOM 636 CD GLU A 41 3.928 -2.636 7.291 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.077 -3.079 7.172 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.165 -3.024 8.218 1.00 0.00 O ATOM 0 H GLU A 41 4.763 0.126 4.259 1.00 0.00 H new ATOM 0 HA GLU A 41 2.368 0.723 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.059 -0.248 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.754 0.050 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.329 -1.564 6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.677 -1.892 5.313 1.00 0.00 H new ATOM 645 N ARG A 42 4.756 2.871 6.059 1.00 0.00 N ATOM 646 CA ARG A 42 5.068 4.189 6.584 1.00 0.00 C ATOM 647 C ARG A 42 4.251 5.239 5.874 1.00 0.00 C ATOM 648 O ARG A 42 3.614 6.070 6.514 1.00 0.00 O ATOM 649 CB ARG A 42 6.558 4.467 6.416 1.00 0.00 C ATOM 650 CG ARG A 42 7.002 5.862 6.819 1.00 0.00 C ATOM 651 CD ARG A 42 6.667 6.167 8.264 1.00 0.00 C ATOM 652 NE ARG A 42 7.012 7.540 8.625 1.00 0.00 N ATOM 653 CZ ARG A 42 6.240 8.356 9.355 1.00 0.00 C ATOM 654 NH1 ARG A 42 5.087 7.917 9.865 1.00 0.00 N ATOM 655 NH2 ARG A 42 6.628 9.600 9.580 1.00 0.00 N ATOM 0 H ARG A 42 5.474 2.487 5.444 1.00 0.00 H new ATOM 0 HA ARG A 42 4.820 4.221 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.116 3.740 7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.827 4.304 5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.077 5.958 6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.522 6.597 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.602 6.004 8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.202 5.475 8.915 1.00 0.00 H new ATOM 0 HE ARG A 42 7.907 7.904 8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.789 6.955 9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.504 8.543 10.420 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.512 9.935 9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.043 10.224 10.135 1.00 0.00 H new ATOM 669 N LEU A 43 4.281 5.190 4.565 1.00 0.00 N ATOM 670 CA LEU A 43 3.534 6.123 3.706 1.00 0.00 C ATOM 671 C LEU A 43 2.054 6.177 4.072 1.00 0.00 C ATOM 672 O LEU A 43 1.428 7.242 4.066 1.00 0.00 O ATOM 673 CB LEU A 43 3.672 5.716 2.240 1.00 0.00 C ATOM 674 CG LEU A 43 5.059 5.801 1.633 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.000 5.371 0.180 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.607 7.217 1.758 1.00 0.00 C ATOM 0 H LEU A 43 4.825 4.501 4.045 1.00 0.00 H new ATOM 0 HA LEU A 43 3.961 7.114 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.319 4.690 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.004 6.343 1.649 1.00 0.00 H new ATOM 0 HG LEU A 43 5.731 5.133 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.996 5.431 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.638 4.345 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.323 6.027 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.603 7.262 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.948 7.910 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.663 7.494 2.811 1.00 0.00 H new ATOM 688 N THR A 44 1.520 5.043 4.393 1.00 0.00 N ATOM 689 CA THR A 44 0.134 4.900 4.730 1.00 0.00 C ATOM 690 C THR A 44 -0.103 5.083 6.209 1.00 0.00 C ATOM 691 O THR A 44 -1.218 5.435 6.627 1.00 0.00 O ATOM 692 CB THR A 44 -0.314 3.496 4.336 1.00 0.00 C ATOM 693 OG1 THR A 44 0.566 2.536 4.936 1.00 0.00 O ATOM 694 CG2 THR A 44 -0.233 3.339 2.860 1.00 0.00 C ATOM 0 H THR A 44 2.044 4.169 4.430 1.00 0.00 H new ATOM 0 HA THR A 44 -0.431 5.665 4.197 1.00 0.00 H new ATOM 0 HB THR A 44 -1.339 3.341 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.280 2.308 4.305 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.554 2.335 2.583 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.881 4.072 2.380 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.795 3.494 2.533 1.00 0.00 H new ATOM 702 N GLU A 45 0.968 4.845 6.990 1.00 0.00 N ATOM 703 CA GLU A 45 0.925 4.743 8.447 1.00 0.00 C ATOM 704 C GLU A 45 -0.005 3.597 8.807 1.00 0.00 C ATOM 705 O GLU A 45 -0.545 3.528 9.918 1.00 0.00 O ATOM 706 CB GLU A 45 0.444 6.028 9.093 1.00 0.00 C ATOM 707 CG GLU A 45 1.327 7.235 8.899 1.00 0.00 C ATOM 708 CD GLU A 45 0.795 8.406 9.662 1.00 0.00 C ATOM 709 OE1 GLU A 45 -0.279 8.940 9.297 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.389 8.778 10.678 1.00 0.00 O ATOM 0 H GLU A 45 1.905 4.717 6.609 1.00 0.00 H new ATOM 0 HA GLU A 45 1.932 4.561 8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.546 6.260 8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.331 5.853 10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.340 7.008 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.387 7.482 7.839 1.00 0.00 H new ATOM 717 N HIS A 46 -0.143 2.666 7.874 1.00 0.00 N ATOM 718 CA HIS A 46 -1.083 1.620 8.010 1.00 0.00 C ATOM 719 C HIS A 46 -0.496 0.483 8.849 1.00 0.00 C ATOM 720 O HIS A 46 0.557 -0.076 8.523 1.00 0.00 O ATOM 721 CB HIS A 46 -1.613 1.133 6.637 1.00 0.00 C ATOM 722 CG HIS A 46 -2.826 0.276 6.766 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.809 -0.957 7.343 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.124 0.576 6.571 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.062 -1.343 7.526 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.904 -0.457 7.062 1.00 0.00 N ATOM 0 H HIS A 46 0.403 2.635 7.013 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.951 2.009 8.542 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.846 1.996 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.829 0.574 6.126 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.497 1.477 6.107 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.351 -2.270 7.998 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.922 -0.515 7.062 1.00 0.00 H new ATOM 734 N PRO A 47 -1.216 0.112 9.909 1.00 0.00 N ATOM 735 CA PRO A 47 -0.790 -0.875 10.903 1.00 0.00 C ATOM 736 C PRO A 47 -0.563 -2.231 10.333 1.00 0.00 C ATOM 737 O PRO A 47 0.482 -2.838 10.500 1.00 0.00 O ATOM 738 CB PRO A 47 -1.991 -0.939 11.849 1.00 0.00 C ATOM 739 CG PRO A 47 -3.122 -0.331 11.143 1.00 0.00 C ATOM 740 CD PRO A 47 -2.542 0.643 10.218 1.00 0.00 C ATOM 0 HA PRO A 47 0.158 -0.589 11.358 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.215 -1.971 12.120 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.782 -0.404 12.776 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.698 -1.085 10.606 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.804 0.153 11.842 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.148 0.745 9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.477 1.632 10.672 1.00 0.00 H new ATOM 748 N ASP A 48 -1.526 -2.662 9.605 1.00 0.00 N ATOM 749 CA ASP A 48 -1.562 -3.972 9.102 1.00 0.00 C ATOM 750 C ASP A 48 -1.160 -3.922 7.666 1.00 0.00 C ATOM 751 O ASP A 48 -1.504 -4.790 6.908 1.00 0.00 O ATOM 752 CB ASP A 48 -2.985 -4.544 9.213 1.00 0.00 C ATOM 753 CG ASP A 48 -3.567 -4.436 10.592 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.201 -5.230 11.488 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.402 -3.548 10.816 1.00 0.00 O ATOM 0 H ASP A 48 -2.330 -2.093 9.339 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.886 -4.610 9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.634 -4.021 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.971 -5.592 8.914 1.00 0.00 H new ATOM 760 N GLY A 49 -0.418 -2.864 7.295 1.00 0.00 N ATOM 761 CA GLY A 49 0.039 -2.693 5.889 1.00 0.00 C ATOM 762 C GLY A 49 0.782 -3.874 5.369 1.00 0.00 C ATOM 763 O GLY A 49 0.713 -4.189 4.190 1.00 0.00 O ATOM 0 H GLY A 49 -0.122 -2.122 7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.826 -2.506 5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.678 -1.812 5.825 1.00 0.00 H new ATOM 767 N SER A 50 1.447 -4.540 6.239 1.00 0.00 N ATOM 768 CA SER A 50 2.135 -5.738 5.880 1.00 0.00 C ATOM 769 C SER A 50 1.144 -6.900 5.788 1.00 0.00 C ATOM 770 O SER A 50 1.069 -7.598 4.760 1.00 0.00 O ATOM 771 CB SER A 50 3.254 -5.986 6.878 1.00 0.00 C ATOM 772 OG SER A 50 2.822 -5.649 8.194 1.00 0.00 O ATOM 0 H SER A 50 1.534 -4.276 7.220 1.00 0.00 H new ATOM 0 HA SER A 50 2.592 -5.641 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.557 -7.032 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.128 -5.392 6.611 1.00 0.00 H new ATOM 0 HG SER A 50 3.121 -4.742 8.414 1.00 0.00 H new ATOM 778 N ASP A 51 0.333 -7.039 6.830 1.00 0.00 N ATOM 779 CA ASP A 51 -0.698 -8.077 6.919 1.00 0.00 C ATOM 780 C ASP A 51 -1.622 -8.059 5.730 1.00 0.00 C ATOM 781 O ASP A 51 -1.996 -9.092 5.258 1.00 0.00 O ATOM 782 CB ASP A 51 -1.537 -7.935 8.178 1.00 0.00 C ATOM 783 CG ASP A 51 -0.809 -8.266 9.444 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.829 -9.434 9.854 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.242 -7.357 10.075 1.00 0.00 O ATOM 0 H ASP A 51 0.370 -6.430 7.648 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.160 -9.024 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.905 -6.911 8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.409 -8.583 8.094 1.00 0.00 H new ATOM 790 N LEU A 52 -1.955 -6.866 5.236 1.00 0.00 N ATOM 791 CA LEU A 52 -2.848 -6.692 4.073 1.00 0.00 C ATOM 792 C LEU A 52 -2.360 -7.483 2.878 1.00 0.00 C ATOM 793 O LEU A 52 -3.147 -8.086 2.152 1.00 0.00 O ATOM 794 CB LEU A 52 -2.929 -5.214 3.644 1.00 0.00 C ATOM 795 CG LEU A 52 -3.458 -4.210 4.658 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.458 -2.830 4.047 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.855 -4.580 5.120 1.00 0.00 C ATOM 0 H LEU A 52 -1.616 -5.987 5.627 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.829 -7.049 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.930 -4.896 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.558 -5.157 2.756 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.805 -4.222 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.837 -2.111 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.441 -2.558 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.096 -2.823 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.206 -3.844 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.529 -4.596 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.835 -5.566 5.585 1.00 0.00 H new ATOM 809 N ILE A 53 -1.060 -7.503 2.712 1.00 0.00 N ATOM 810 CA ILE A 53 -0.455 -8.113 1.551 1.00 0.00 C ATOM 811 C ILE A 53 -0.344 -9.600 1.760 1.00 0.00 C ATOM 812 O ILE A 53 -0.709 -10.406 0.897 1.00 0.00 O ATOM 813 CB ILE A 53 0.951 -7.515 1.310 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.855 -5.992 1.204 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.601 -8.110 0.053 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.187 -5.307 1.127 1.00 0.00 C ATOM 0 H ILE A 53 -0.395 -7.100 3.372 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.079 -7.915 0.680 1.00 0.00 H new ATOM 0 HB ILE A 53 1.586 -7.771 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.272 -5.734 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.310 -5.610 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.588 -7.670 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.698 -9.189 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.979 -7.894 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.038 -4.230 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.765 -5.533 2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.727 -5.659 0.248 1.00 0.00 H new ATOM 828 N TYR A 54 0.103 -9.945 2.922 1.00 0.00 N ATOM 829 CA TYR A 54 0.383 -11.303 3.261 1.00 0.00 C ATOM 830 C TYR A 54 -0.881 -12.116 3.543 1.00 0.00 C ATOM 831 O TYR A 54 -1.048 -13.223 3.019 1.00 0.00 O ATOM 832 CB TYR A 54 1.338 -11.337 4.439 1.00 0.00 C ATOM 833 CG TYR A 54 2.670 -10.681 4.157 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.414 -11.033 3.043 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.183 -9.713 5.002 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.628 -10.441 2.781 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.395 -9.112 4.746 1.00 0.00 C ATOM 838 CZ TYR A 54 5.114 -9.481 3.635 1.00 0.00 C ATOM 839 OH TYR A 54 6.339 -8.892 3.385 1.00 0.00 O ATOM 0 H TYR A 54 0.287 -9.282 3.675 1.00 0.00 H new ATOM 0 HA TYR A 54 0.852 -11.777 2.398 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.871 -10.840 5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.507 -12.374 4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.034 -11.786 2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.622 -9.423 5.879 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.196 -10.729 1.909 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.778 -8.355 5.414 1.00 0.00 H new ATOM 0 HH TYR A 54 6.531 -8.932 2.425 1.00 0.00 H new ATOM 849 N TYR A 55 -1.763 -11.572 4.348 1.00 0.00 N ATOM 850 CA TYR A 55 -2.985 -12.247 4.743 1.00 0.00 C ATOM 851 C TYR A 55 -4.115 -11.215 4.689 1.00 0.00 C ATOM 852 O TYR A 55 -4.447 -10.647 5.744 1.00 0.00 O ATOM 853 CB TYR A 55 -2.896 -12.772 6.205 1.00 0.00 C ATOM 854 CG TYR A 55 -1.501 -13.122 6.685 1.00 0.00 C ATOM 855 CD1 TYR A 55 -0.902 -14.335 6.374 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.785 -12.213 7.455 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.378 -14.626 6.816 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.484 -12.495 7.899 1.00 0.00 C ATOM 859 CZ TYR A 55 1.065 -13.698 7.578 1.00 0.00 C ATOM 860 OH TYR A 55 2.342 -13.970 8.017 1.00 0.00 O ATOM 0 H TYR A 55 -1.656 -10.642 4.752 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.155 -13.092 4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.312 -12.016 6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.526 -13.657 6.294 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.440 -15.060 5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.236 -11.265 7.710 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.837 -15.572 6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.022 -11.775 8.497 1.00 0.00 H new ATOM 0 HH TYR A 55 2.678 -13.211 8.538 1.00 0.00 H new ATOM 870 N PRO A 56 -4.694 -10.959 3.455 1.00 0.00 N ATOM 871 CA PRO A 56 -5.706 -9.919 3.141 1.00 0.00 C ATOM 872 C PRO A 56 -6.345 -9.201 4.337 1.00 0.00 C ATOM 873 O PRO A 56 -5.685 -8.423 5.027 1.00 0.00 O ATOM 874 CB PRO A 56 -6.703 -10.759 2.356 1.00 0.00 C ATOM 875 CG PRO A 56 -5.833 -11.690 1.549 1.00 0.00 C ATOM 876 CD PRO A 56 -4.468 -11.741 2.235 1.00 0.00 C ATOM 0 HA PRO A 56 -5.279 -9.061 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.371 -11.310 3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.330 -10.140 1.714 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.276 -12.685 1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.735 -11.333 0.524 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.165 -12.764 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.685 -11.306 1.614 1.00 0.00 H new ATOM 884 N ARG A 57 -7.617 -9.364 4.498 1.00 0.00 N ATOM 885 CA ARG A 57 -8.326 -8.905 5.663 1.00 0.00 C ATOM 886 C ARG A 57 -9.291 -9.925 6.179 1.00 0.00 C ATOM 887 O ARG A 57 -8.879 -11.009 6.607 1.00 0.00 O ATOM 888 CB ARG A 57 -8.956 -7.514 5.517 1.00 0.00 C ATOM 889 CG ARG A 57 -8.017 -6.345 5.787 1.00 0.00 C ATOM 890 CD ARG A 57 -7.470 -6.400 7.214 1.00 0.00 C ATOM 891 NE ARG A 57 -6.369 -7.378 7.367 1.00 0.00 N ATOM 892 CZ ARG A 57 -5.787 -7.761 8.515 1.00 0.00 C ATOM 893 NH1 ARG A 57 -6.116 -7.193 9.673 1.00 0.00 N ATOM 894 NH2 ARG A 57 -4.855 -8.712 8.485 1.00 0.00 N ATOM 0 H ARG A 57 -8.212 -9.829 3.812 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.558 -8.777 6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.351 -7.416 4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.804 -7.443 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.191 -6.366 5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.547 -5.405 5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.114 -5.410 7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.278 -6.659 7.899 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.016 -7.806 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.820 -6.455 9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.664 -7.496 10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.591 -9.140 7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.405 -9.012 9.350 1.00 0.00 H new ATOM 908 N ASP A 58 -10.549 -9.616 6.106 1.00 0.00 N ATOM 909 CA ASP A 58 -11.578 -10.486 6.620 1.00 0.00 C ATOM 910 C ASP A 58 -12.515 -10.897 5.519 1.00 0.00 C ATOM 911 O ASP A 58 -12.743 -12.083 5.275 1.00 0.00 O ATOM 912 CB ASP A 58 -12.364 -9.771 7.718 1.00 0.00 C ATOM 913 CG ASP A 58 -11.573 -9.524 8.975 1.00 0.00 C ATOM 914 OD1 ASP A 58 -11.569 -10.386 9.862 1.00 0.00 O ATOM 915 OD2 ASP A 58 -10.962 -8.434 9.106 1.00 0.00 O ATOM 0 H ASP A 58 -10.899 -8.753 5.689 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.104 -11.376 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.721 -8.816 7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.244 -10.364 7.966 1.00 0.00 H new ATOM 920 N ASP A 59 -13.059 -9.905 4.867 1.00 0.00 N ATOM 921 CA ASP A 59 -14.038 -10.082 3.791 1.00 0.00 C ATOM 922 C ASP A 59 -13.492 -9.525 2.494 1.00 0.00 C ATOM 923 O ASP A 59 -14.207 -9.391 1.509 1.00 0.00 O ATOM 924 CB ASP A 59 -15.352 -9.343 4.131 1.00 0.00 C ATOM 925 CG ASP A 59 -15.170 -7.834 4.230 1.00 0.00 C ATOM 926 OD1 ASP A 59 -14.764 -7.341 5.304 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.399 -7.117 3.246 1.00 0.00 O ATOM 0 H ASP A 59 -12.840 -8.928 5.061 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.235 -11.149 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.097 -9.565 3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.742 -9.720 5.076 1.00 0.00 H new ATOM 932 N ARG A 60 -12.221 -9.232 2.491 1.00 0.00 N ATOM 933 CA ARG A 60 -11.582 -8.648 1.339 1.00 0.00 C ATOM 934 C ARG A 60 -11.315 -9.638 0.254 1.00 0.00 C ATOM 935 O ARG A 60 -11.232 -10.845 0.477 1.00 0.00 O ATOM 936 CB ARG A 60 -10.274 -7.966 1.699 1.00 0.00 C ATOM 937 CG ARG A 60 -10.371 -6.513 2.089 1.00 0.00 C ATOM 938 CD ARG A 60 -10.616 -5.593 0.885 1.00 0.00 C ATOM 939 NE ARG A 60 -12.007 -5.590 0.377 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.710 -4.469 0.151 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.319 -3.317 0.690 1.00 0.00 N ATOM 942 NH2 ARG A 60 -13.851 -4.529 -0.521 1.00 0.00 N ATOM 0 H ARG A 60 -11.598 -9.390 3.283 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.294 -7.910 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.817 -8.513 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.598 -8.049 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.180 -6.387 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.450 -6.213 2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.344 -4.575 1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.950 -5.892 0.076 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.455 -6.487 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.484 -3.285 1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.854 -2.466 0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.193 -5.426 -0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.387 -3.678 -0.694 1.00 0.00 H new ATOM 956 N GLU A 61 -11.215 -9.109 -0.911 1.00 0.00 N ATOM 957 CA GLU A 61 -10.822 -9.818 -2.065 1.00 0.00 C ATOM 958 C GLU A 61 -9.310 -9.861 -2.054 1.00 0.00 C ATOM 959 O GLU A 61 -8.662 -8.874 -1.656 1.00 0.00 O ATOM 960 CB GLU A 61 -11.337 -9.060 -3.299 1.00 0.00 C ATOM 961 CG GLU A 61 -10.888 -9.624 -4.630 1.00 0.00 C ATOM 962 CD GLU A 61 -11.297 -11.061 -4.837 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.393 -11.313 -5.364 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.520 -11.968 -4.498 1.00 0.00 O ATOM 0 H GLU A 61 -11.415 -8.125 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.226 -10.830 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.427 -9.053 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.010 -8.022 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.304 -9.016 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.803 -9.548 -4.702 1.00 0.00 H new ATOM 971 N ASP A 62 -8.750 -10.975 -2.445 1.00 0.00 N ATOM 972 CA ASP A 62 -7.308 -11.115 -2.508 1.00 0.00 C ATOM 973 C ASP A 62 -6.815 -10.471 -3.782 1.00 0.00 C ATOM 974 O ASP A 62 -6.526 -11.153 -4.775 1.00 0.00 O ATOM 975 CB ASP A 62 -6.874 -12.608 -2.448 1.00 0.00 C ATOM 976 CG ASP A 62 -5.355 -12.822 -2.499 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.686 -12.677 -1.455 1.00 0.00 O ATOM 978 OD2 ASP A 62 -4.808 -13.178 -3.565 1.00 0.00 O ATOM 0 H ASP A 62 -9.269 -11.807 -2.727 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.866 -10.619 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.262 -13.051 -1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.333 -13.142 -3.280 1.00 0.00 H new ATOM 983 N SER A 63 -6.853 -9.171 -3.832 1.00 0.00 N ATOM 984 CA SER A 63 -6.374 -8.513 -4.964 1.00 0.00 C ATOM 985 C SER A 63 -5.507 -7.369 -4.548 1.00 0.00 C ATOM 986 O SER A 63 -5.711 -6.799 -3.462 1.00 0.00 O ATOM 987 CB SER A 63 -7.549 -8.037 -5.828 1.00 0.00 C ATOM 988 OG SER A 63 -8.457 -7.232 -5.087 1.00 0.00 O ATOM 0 H SER A 63 -7.214 -8.567 -3.094 1.00 0.00 H new ATOM 0 HA SER A 63 -5.773 -9.198 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.169 -7.469 -6.677 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.076 -8.901 -6.233 1.00 0.00 H new ATOM 0 HG SER A 63 -9.191 -6.946 -5.670 1.00 0.00 H new ATOM 994 N PRO A 64 -4.485 -7.049 -5.359 1.00 0.00 N ATOM 995 CA PRO A 64 -3.677 -5.855 -5.170 1.00 0.00 C ATOM 996 C PRO A 64 -4.606 -4.632 -5.044 1.00 0.00 C ATOM 997 O PRO A 64 -4.378 -3.742 -4.233 1.00 0.00 O ATOM 998 CB PRO A 64 -2.856 -5.814 -6.475 1.00 0.00 C ATOM 999 CG PRO A 64 -2.693 -7.239 -6.830 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.997 -7.876 -6.484 1.00 0.00 C ATOM 0 HA PRO A 64 -3.052 -5.854 -4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.376 -5.263 -7.258 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.893 -5.325 -6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.465 -7.358 -7.889 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.873 -7.693 -6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.689 -7.861 -7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.872 -8.919 -6.193 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.682 -4.654 -5.830 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.735 -3.659 -5.790 1.00 0.00 C ATOM 1010 C GLU A 65 -7.360 -3.582 -4.384 1.00 0.00 C ATOM 1011 O GLU A 65 -7.455 -2.502 -3.788 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.845 -4.009 -6.804 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.505 -3.875 -8.295 1.00 0.00 C ATOM 1014 CD GLU A 65 -6.427 -4.803 -8.812 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -6.240 -5.915 -8.268 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -5.785 -4.465 -9.833 1.00 0.00 O ATOM 0 H GLU A 65 -5.842 -5.383 -6.525 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.291 -2.697 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.157 -5.037 -6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.705 -3.372 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.413 -4.047 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.196 -2.848 -8.487 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.755 -4.737 -3.866 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.406 -4.823 -2.577 1.00 0.00 C ATOM 1025 C GLY A 66 -7.526 -4.363 -1.421 1.00 0.00 C ATOM 1026 O GLY A 66 -8.006 -3.729 -0.480 1.00 0.00 O ATOM 0 H GLY A 66 -7.631 -5.636 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.313 -4.219 -2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.713 -5.854 -2.402 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.248 -4.673 -1.504 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.264 -4.273 -0.489 1.00 0.00 C ATOM 1032 C ILE A 67 -5.157 -2.754 -0.409 1.00 0.00 C ATOM 1033 O ILE A 67 -5.193 -2.157 0.678 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.881 -4.889 -0.815 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.943 -6.409 -0.661 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.765 -4.283 0.048 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.683 -7.115 -1.075 1.00 0.00 C ATOM 0 H ILE A 67 -5.850 -5.210 -2.275 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.599 -4.645 0.479 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.636 -4.650 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.158 -6.650 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.774 -6.791 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.812 -4.743 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.710 -3.209 -0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.979 -4.466 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.806 -8.189 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.477 -6.906 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.851 -6.763 -0.465 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.072 -2.140 -1.563 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.964 -0.697 -1.684 1.00 0.00 C ATOM 1051 C VAL A 68 -6.228 -0.026 -1.188 1.00 0.00 C ATOM 1052 O VAL A 68 -6.197 1.079 -0.625 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.686 -0.323 -3.154 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.694 1.186 -3.372 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.357 -0.888 -3.530 1.00 0.00 C ATOM 0 H VAL A 68 -5.075 -2.629 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.136 -0.347 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.477 -0.736 -3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.494 1.403 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.669 1.588 -3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.924 1.647 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.135 -0.637 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.587 -0.468 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.377 -1.972 -3.415 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.323 -0.723 -1.339 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.594 -0.209 -0.965 1.00 0.00 C ATOM 1067 C LYS A 69 -8.694 -0.040 0.522 1.00 0.00 C ATOM 1068 O LYS A 69 -9.210 0.965 0.988 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.682 -1.112 -1.407 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.944 -0.363 -1.660 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.090 -0.045 -3.141 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.046 0.988 -3.652 1.00 0.00 C ATOM 1073 NZ LYS A 69 -10.209 1.353 -5.089 1.00 0.00 N ATOM 0 H LYS A 69 -7.348 -1.666 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.699 0.761 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.378 -1.632 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.856 -1.873 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.797 -0.952 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.947 0.561 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.991 -0.966 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.093 0.340 -3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.118 1.892 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.045 0.583 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.702 2.241 -5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.820 0.596 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.219 1.478 -5.303 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.190 -1.017 1.253 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.194 -0.974 2.703 1.00 0.00 C ATOM 1089 C GLU A 70 -7.493 0.262 3.174 1.00 0.00 C ATOM 1090 O GLU A 70 -8.034 1.026 3.933 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.517 -2.207 3.270 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.227 -3.479 2.927 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.651 -3.484 3.437 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.561 -3.028 2.708 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.889 -3.941 4.567 1.00 0.00 O ATOM 0 H GLU A 70 -7.768 -1.859 0.860 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.226 -0.955 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.494 -2.257 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.455 -2.114 4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.228 -3.614 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.686 -4.324 3.353 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.321 0.469 2.636 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.495 1.620 2.923 1.00 0.00 C ATOM 1104 C ILE A 71 -6.210 2.932 2.615 1.00 0.00 C ATOM 1105 O ILE A 71 -6.159 3.887 3.393 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.201 1.491 2.119 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.352 0.459 2.812 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.468 2.822 1.988 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.283 -0.133 1.975 1.00 0.00 C ATOM 0 H ILE A 71 -5.899 -0.174 1.966 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.272 1.644 3.990 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.426 1.183 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.895 0.916 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.999 -0.342 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.555 2.679 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.110 3.543 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.214 3.197 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.726 -0.864 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.728 -0.624 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.607 0.653 1.638 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.861 2.963 1.496 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.590 4.092 1.034 1.00 0.00 C ATOM 1123 C LYS A 72 -8.738 4.424 1.989 1.00 0.00 C ATOM 1124 O LYS A 72 -8.766 5.500 2.595 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.124 3.675 -0.302 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.967 4.638 -1.036 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.788 3.862 -1.978 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.642 4.723 -2.822 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.560 5.568 -2.034 1.00 0.00 N ATOM 0 H LYS A 72 -6.898 2.169 0.857 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.969 4.986 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.276 3.420 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.703 2.762 -0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.598 5.201 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.351 5.362 -1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.137 3.264 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.416 3.166 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.009 5.360 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.223 4.098 -3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.345 5.885 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.938 5.019 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.045 6.396 -1.672 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.618 3.465 2.177 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.809 3.665 2.964 1.00 0.00 C ATOM 1145 C GLU A 73 -10.478 3.893 4.447 1.00 0.00 C ATOM 1146 O GLU A 73 -11.103 4.725 5.110 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.747 2.477 2.753 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.052 2.217 1.267 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.793 3.345 0.599 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.168 4.358 0.243 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.008 3.211 0.357 1.00 0.00 O ATOM 0 H GLU A 73 -9.526 2.527 1.788 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.314 4.572 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.299 1.584 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.681 2.658 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.115 2.044 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.641 1.304 1.180 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.460 3.198 4.934 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.014 3.302 6.323 1.00 0.00 C ATOM 1160 C TRP A 74 -8.458 4.694 6.614 1.00 0.00 C ATOM 1161 O TRP A 74 -8.846 5.324 7.601 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.956 2.232 6.591 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.438 2.106 7.992 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.969 1.355 8.996 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.249 2.700 8.523 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.179 1.434 10.113 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.117 2.255 9.851 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.289 3.563 7.997 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.052 2.638 10.660 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.238 3.951 8.791 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.120 3.487 10.108 1.00 0.00 C ATOM 0 H TRP A 74 -8.915 2.541 4.376 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.866 3.143 6.985 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.371 1.268 6.298 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.108 2.426 5.935 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.881 0.780 8.923 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.355 0.957 10.997 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.371 3.921 6.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.961 2.285 11.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.492 4.623 8.395 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.277 3.803 10.704 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.598 5.213 5.734 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.989 6.519 5.986 1.00 0.00 C ATOM 1184 C ARG A 75 -8.010 7.606 5.878 1.00 0.00 C ATOM 1185 O ARG A 75 -7.962 8.592 6.616 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.845 6.784 5.052 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.679 5.848 5.250 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.615 6.149 4.257 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.161 6.127 2.897 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.815 6.977 1.926 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.837 7.861 2.116 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.469 6.967 0.783 1.00 0.00 N ATOM 0 H ARG A 75 -7.314 4.763 4.864 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.594 6.506 7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.198 6.700 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.504 7.810 5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.285 5.952 6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.008 4.815 5.141 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.181 7.127 4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.811 5.418 4.344 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.854 5.412 2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.345 7.893 3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.580 8.506 1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.237 6.312 0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.207 7.615 0.040 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.952 7.407 4.989 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.056 8.321 4.812 1.00 0.00 C ATOM 1208 C ALA A 76 -10.928 8.382 6.064 1.00 0.00 C ATOM 1209 O ALA A 76 -11.473 9.421 6.397 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.887 7.901 3.625 1.00 0.00 C ATOM 0 H ALA A 76 -8.975 6.602 4.364 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.648 9.316 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.718 8.595 3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.269 7.907 2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.276 6.896 3.790 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.009 7.274 6.781 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.842 7.191 7.965 1.00 0.00 C ATOM 1218 C ALA A 77 -11.087 7.763 9.136 1.00 0.00 C ATOM 1219 O ALA A 77 -11.652 8.400 10.023 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.245 5.748 8.231 1.00 0.00 C ATOM 0 H ALA A 77 -10.504 6.416 6.561 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.755 7.767 7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.870 5.703 9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.803 5.363 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.351 5.143 8.383 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.788 7.553 9.101 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.875 8.029 10.116 1.00 0.00 C ATOM 1228 C ASN A 78 -8.629 9.526 10.008 1.00 0.00 C ATOM 1229 O ASN A 78 -8.112 10.140 10.936 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.524 7.310 10.020 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.434 5.951 10.708 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.383 5.610 11.251 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.476 5.155 10.646 1.00 0.00 N ATOM 0 H ASN A 78 -9.329 7.036 8.351 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.347 7.815 11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.281 7.177 8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.759 7.960 10.444 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.430 4.222 11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.332 5.470 10.188 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.973 10.103 8.876 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.726 11.509 8.663 1.00 0.00 C ATOM 1242 C GLY A 79 -7.265 11.756 8.363 1.00 0.00 C ATOM 1243 O GLY A 79 -6.671 12.733 8.820 1.00 0.00 O ATOM 0 H GLY A 79 -9.421 9.623 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.338 11.870 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.021 12.073 9.548 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.677 10.840 7.641 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.308 10.914 7.247 1.00 0.00 C ATOM 1249 C LYS A 80 -5.203 11.418 5.822 1.00 0.00 C ATOM 1250 O LYS A 80 -6.215 11.793 5.220 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.671 9.542 7.375 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.339 9.141 8.796 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.666 7.792 8.820 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.299 7.358 10.235 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.367 8.306 10.892 1.00 0.00 N ATOM 0 H LYS A 80 -7.154 10.003 7.306 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.780 11.612 7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.346 8.800 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.757 9.521 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.686 9.888 9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.250 9.110 9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.328 7.050 8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.765 7.826 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.206 7.271 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.843 6.368 10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.778 7.794 11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.758 8.747 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.911 9.043 11.385 1.00 0.00 H new ATOM 1269 N SER A 81 -3.996 11.436 5.293 1.00 0.00 N ATOM 1270 CA SER A 81 -3.742 11.847 3.960 1.00 0.00 C ATOM 1271 C SER A 81 -4.345 10.846 2.947 1.00 0.00 C ATOM 1272 O SER A 81 -4.774 9.736 3.320 1.00 0.00 O ATOM 1273 CB SER A 81 -2.234 11.934 3.799 1.00 0.00 C ATOM 1274 OG SER A 81 -1.673 12.887 4.706 1.00 0.00 O ATOM 0 H SER A 81 -3.158 11.156 5.803 1.00 0.00 H new ATOM 0 HA SER A 81 -4.207 12.813 3.763 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.789 10.954 3.975 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.990 12.215 2.775 1.00 0.00 H new ATOM 0 HG SER A 81 -0.701 12.923 4.583 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.389 11.238 1.701 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.904 10.387 0.668 1.00 0.00 C ATOM 1282 C GLY A 82 -3.840 10.079 -0.341 1.00 0.00 C ATOM 1283 O GLY A 82 -2.676 9.863 0.027 1.00 0.00 O ATOM 0 H GLY A 82 -4.070 12.151 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.277 9.461 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.748 10.871 0.178 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.221 9.996 -1.575 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.308 9.820 -2.644 1.00 0.00 C ATOM 1289 C PHE A 83 -3.295 11.097 -3.434 1.00 0.00 C ATOM 1290 O PHE A 83 -4.070 12.018 -3.134 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.746 8.666 -3.538 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.821 7.335 -2.848 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.675 6.728 -2.385 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.034 6.684 -2.677 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.730 5.504 -1.763 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.093 5.451 -2.053 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.933 4.861 -1.594 1.00 0.00 C ATOM 0 H PHE A 83 -5.197 10.050 -1.868 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.315 9.586 -2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.725 8.899 -3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.052 8.588 -4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.722 7.220 -2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.943 7.145 -3.035 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.821 5.044 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.042 4.952 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.970 3.899 -1.105 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.440 11.182 -4.406 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.402 12.343 -5.237 1.00 0.00 C ATOM 1309 C LYS A 84 -3.567 12.281 -6.190 1.00 0.00 C ATOM 1310 O LYS A 84 -4.063 11.187 -6.511 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.107 12.394 -6.037 1.00 0.00 C ATOM 1312 CG LYS A 84 -0.888 13.714 -6.780 1.00 0.00 C ATOM 1313 CD LYS A 84 0.426 13.738 -7.545 1.00 0.00 C ATOM 1314 CE LYS A 84 0.389 12.848 -8.779 1.00 0.00 C ATOM 1315 NZ LYS A 84 -0.589 13.331 -9.797 1.00 0.00 N ATOM 0 H LYS A 84 -1.759 10.460 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.457 13.234 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.268 12.225 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.105 11.577 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.712 13.878 -7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.904 14.537 -6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.652 14.762 -7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.233 13.412 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.383 12.807 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.130 11.831 -8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.438 12.823 -10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.557 13.156 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.455 14.351 -9.951 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.015 13.415 -6.619 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.027 13.498 -7.560 1.00 0.00 C ATOM 1331 C GLN A 85 -4.484 13.125 -8.926 1.00 0.00 C ATOM 1332 O GLN A 85 -3.452 13.660 -9.396 1.00 0.00 O ATOM 1333 CB GLN A 85 -5.645 14.882 -7.539 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.762 15.085 -6.497 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.336 14.803 -5.061 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.846 15.691 -4.364 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -6.539 13.587 -4.601 1.00 0.00 N ATOM 0 H GLN A 85 -3.663 14.319 -6.303 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.821 12.791 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.857 15.612 -7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.049 15.097 -8.528 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.122 16.112 -6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.601 14.436 -6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.947 12.874 -5.206 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.288 13.357 -3.639 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.090 12.139 -9.462 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.807 11.629 -10.754 1.00 0.00 C ATOM 1348 C GLY A 86 -5.788 10.540 -11.022 1.00 0.00 C ATOM 1349 O GLY A 86 -6.276 9.945 -10.031 1.00 0.00 O ATOM 1350 OXT GLY A 86 -6.101 10.255 -12.176 1.00 0.00 O ATOM 0 H GLY A 86 -5.840 11.634 -8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.890 12.415 -11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.787 11.248 -10.802 1.00 0.00 H new TER 1354 GLY A 86