USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 728 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 13 ASN : amide:sc= 1.14 K(o=2.2,f=1.6) USER MOD Set 1.2: A 18 THR OG1 : rot -119:sc= 1.02 USER MOD Set 2.1: A 12 TYR OH : rot -108:sc= 1.21 USER MOD Set 2.2: A 38 ASN : amide:sc= 2.02 K(o=5.5,f=1.4) USER MOD Set 2.3: A 40 TYR OH : rot -147:sc= 2.25 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -119:sc= 1.61 (180deg=-0.242) USER MOD Set 3.2: A 24 SER OG : rot 180:sc= 0.625 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0585) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.646 K(o=0.65,f=-0.56) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.0215 (180deg=-0.217) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 1.15 K(o=1.1,f=-0.13) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.866 K(o=0.87,f=-0.32) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.543 USER MOD Single : A 58 THR OG1 : rot 144:sc= 1.27 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 1.28 (180deg=1.09) USER MOD Single : A 65 MET CE :methyl 152:sc= 0 (180deg=-0.614) USER MOD Single : A 66 ASN : amide:sc= -0.344 K(o=-0.34,f=-2) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.678 K(o=-0.68,f=-3.8!) USER MOD Single : A 72 SER OG : rot 15:sc= 0.404 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 1.24 K(o=1.2,f=-0.028) USER MOD Single : A 80 ASN : amide:sc= -2.73! C(o=-2.7!,f=-5.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -159:sc= -0.0755 (180deg=-0.474) USER MOD Single : A 86 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.56) USER MOD Single : A 93 TYR OH : rot -30:sc= -0.908! USER MOD Single : A 96 LYS NZ :NH3+ -162:sc= -0.0522 (180deg=-0.334) USER MOD Single : A 97 GLN : amide:sc= 0.106 X(o=0.11,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.318 -1.448 3.964 1.00 0.00 N ATOM 21 CA PHE A 2 -9.490 -1.973 3.277 1.00 0.00 C ATOM 22 C PHE A 2 -10.534 -0.882 3.091 1.00 0.00 C ATOM 23 O PHE A 2 -10.495 0.146 3.764 1.00 0.00 O ATOM 24 CB PHE A 2 -10.088 -3.136 4.067 1.00 0.00 C ATOM 25 CG PHE A 2 -9.129 -4.271 4.297 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.911 -5.222 3.313 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.449 -4.390 5.500 1.00 0.00 C ATOM 28 CE1 PHE A 2 -8.034 -6.267 3.522 1.00 0.00 C ATOM 29 CE2 PHE A 2 -7.571 -5.435 5.714 1.00 0.00 C ATOM 30 CZ PHE A 2 -7.362 -6.376 4.724 1.00 0.00 C ATOM 0 HA PHE A 2 -9.181 -2.331 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.437 -2.767 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.962 -3.513 3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.434 -5.145 2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.608 -3.658 6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.873 -7.000 2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -7.048 -5.516 6.655 1.00 0.00 H new ATOM 0 HZ PHE A 2 -6.676 -7.194 4.889 1.00 0.00 H new ATOM 40 N THR A 3 -11.458 -1.108 2.172 1.00 0.00 N ATOM 41 CA THR A 3 -12.540 -0.174 1.917 1.00 0.00 C ATOM 42 C THR A 3 -13.887 -0.889 1.980 1.00 0.00 C ATOM 43 O THR A 3 -14.024 -2.025 1.519 1.00 0.00 O ATOM 44 CB THR A 3 -12.379 0.518 0.545 1.00 0.00 C ATOM 45 OG1 THR A 3 -12.053 -0.446 -0.468 1.00 0.00 O ATOM 46 CG2 THR A 3 -11.298 1.587 0.596 1.00 0.00 C ATOM 0 H THR A 3 -11.479 -1.941 1.584 1.00 0.00 H new ATOM 0 HA THR A 3 -12.502 0.592 2.691 1.00 0.00 H new ATOM 0 HB THR A 3 -13.329 0.993 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.956 0.007 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.206 2.058 -0.383 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.566 2.340 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.347 1.130 0.870 1.00 0.00 H new ATOM 54 N ALA A 4 -14.871 -0.232 2.575 1.00 0.00 N ATOM 55 CA ALA A 4 -16.204 -0.800 2.694 1.00 0.00 C ATOM 56 C ALA A 4 -17.218 0.063 1.960 1.00 0.00 C ATOM 57 O ALA A 4 -17.275 1.280 2.152 1.00 0.00 O ATOM 58 CB ALA A 4 -16.589 -0.952 4.159 1.00 0.00 C ATOM 0 H ALA A 4 -14.770 0.697 2.984 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.201 -1.789 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.590 -1.378 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.877 -1.612 4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.576 0.025 4.642 1.00 0.00 H new ATOM 64 N LYS A 5 -17.997 -0.571 1.099 1.00 0.00 N ATOM 65 CA LYS A 5 -19.015 0.125 0.333 1.00 0.00 C ATOM 66 C LYS A 5 -20.403 -0.302 0.800 1.00 0.00 C ATOM 67 O LYS A 5 -20.841 -1.418 0.518 1.00 0.00 O ATOM 68 CB LYS A 5 -18.841 -0.190 -1.155 1.00 0.00 C ATOM 69 CG LYS A 5 -19.642 0.708 -2.084 1.00 0.00 C ATOM 70 CD LYS A 5 -19.529 0.242 -3.527 1.00 0.00 C ATOM 71 CE LYS A 5 -20.011 1.301 -4.503 1.00 0.00 C ATOM 72 NZ LYS A 5 -19.082 2.463 -4.566 1.00 0.00 N ATOM 0 H LYS A 5 -17.942 -1.572 0.913 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.909 1.199 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.785 -0.107 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.131 -1.226 -1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.689 0.710 -1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -19.284 1.734 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.492 -0.009 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -20.113 -0.668 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.110 0.862 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -21.002 1.644 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.584 3.325 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.275 2.297 -3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.737 2.580 -5.540 1.00 0.00 H new ATOM 86 N LEU A 6 -21.079 0.568 1.538 1.00 0.00 N ATOM 87 CA LEU A 6 -22.433 0.278 2.001 1.00 0.00 C ATOM 88 C LEU A 6 -23.374 0.195 0.808 1.00 0.00 C ATOM 89 O LEU A 6 -23.549 1.172 0.080 1.00 0.00 O ATOM 90 CB LEU A 6 -22.909 1.353 2.986 1.00 0.00 C ATOM 91 CG LEU A 6 -24.291 1.122 3.615 1.00 0.00 C ATOM 92 CD1 LEU A 6 -24.318 -0.181 4.402 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.667 2.291 4.505 1.00 0.00 C ATOM 0 H LEU A 6 -20.716 1.476 1.829 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.431 -0.680 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.175 1.434 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -22.923 2.312 2.468 1.00 0.00 H new ATOM 0 HG LEU A 6 -25.024 1.046 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -25.307 -0.322 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -24.093 -1.013 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -23.573 -0.141 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.649 2.113 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -23.928 2.396 5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -24.695 3.205 3.912 1.00 0.00 H new ATOM 105 N ILE A 7 -23.956 -0.971 0.590 1.00 0.00 N ATOM 106 CA ILE A 7 -24.795 -1.182 -0.579 1.00 0.00 C ATOM 107 C ILE A 7 -26.272 -1.247 -0.205 1.00 0.00 C ATOM 108 O ILE A 7 -27.139 -0.873 -0.994 1.00 0.00 O ATOM 109 CB ILE A 7 -24.387 -2.460 -1.340 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.498 -3.695 -0.438 1.00 0.00 C ATOM 111 CG2 ILE A 7 -22.972 -2.305 -1.875 1.00 0.00 C ATOM 112 CD1 ILE A 7 -24.238 -5.003 -1.153 1.00 0.00 C ATOM 0 H ILE A 7 -23.865 -1.782 1.202 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.645 -0.325 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.069 -2.604 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.791 -3.596 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.496 -3.724 0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.685 -3.209 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.930 -1.452 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.285 -2.143 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.335 -5.829 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.961 -5.127 -1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -23.230 -4.997 -1.568 1.00 0.00 H new ATOM 124 N LYS A 8 -26.553 -1.713 1.001 1.00 0.00 N ATOM 125 CA LYS A 8 -27.922 -1.810 1.481 1.00 0.00 C ATOM 126 C LYS A 8 -28.196 -0.732 2.515 1.00 0.00 C ATOM 127 O LYS A 8 -27.435 -0.563 3.469 1.00 0.00 O ATOM 128 CB LYS A 8 -28.184 -3.195 2.078 1.00 0.00 C ATOM 129 CG LYS A 8 -28.361 -4.292 1.045 1.00 0.00 C ATOM 130 CD LYS A 8 -28.451 -5.658 1.701 1.00 0.00 C ATOM 131 CE LYS A 8 -28.974 -6.710 0.735 1.00 0.00 C ATOM 132 NZ LYS A 8 -30.438 -6.573 0.505 1.00 0.00 N ATOM 0 H LYS A 8 -25.849 -2.031 1.667 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.595 -1.664 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.354 -3.459 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.079 -3.148 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -29.264 -4.105 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.524 -4.276 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.467 -5.954 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.107 -5.603 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -28.448 -6.624 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -28.760 -7.703 1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -30.786 -7.401 -0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -30.929 -6.510 1.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -30.624 -5.711 -0.047 1.00 0.00 H new ATOM 146 N GLY A 9 -29.273 0.004 2.317 1.00 0.00 N ATOM 147 CA GLY A 9 -29.640 1.034 3.256 1.00 0.00 C ATOM 148 C GLY A 9 -29.499 2.419 2.666 1.00 0.00 C ATOM 149 O GLY A 9 -29.995 2.691 1.572 1.00 0.00 O ATOM 0 H GLY A 9 -29.901 -0.094 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.670 0.881 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -29.014 0.954 4.145 1.00 0.00 H new ATOM 153 N LYS A 10 -28.796 3.286 3.380 1.00 0.00 N ATOM 154 CA LYS A 10 -28.647 4.680 2.986 1.00 0.00 C ATOM 155 C LYS A 10 -27.598 5.356 3.859 1.00 0.00 C ATOM 156 O LYS A 10 -26.707 6.041 3.355 1.00 0.00 O ATOM 157 CB LYS A 10 -29.994 5.418 3.071 1.00 0.00 C ATOM 158 CG LYS A 10 -30.717 5.243 4.399 1.00 0.00 C ATOM 159 CD LYS A 10 -32.134 5.786 4.334 1.00 0.00 C ATOM 160 CE LYS A 10 -32.893 5.530 5.626 1.00 0.00 C ATOM 161 NZ LYS A 10 -34.329 5.899 5.505 1.00 0.00 N ATOM 0 H LYS A 10 -28.314 3.045 4.246 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.313 4.719 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -29.825 6.481 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.641 5.064 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -30.743 4.186 4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -30.165 5.756 5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -32.105 6.857 4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -32.664 5.322 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -32.810 4.477 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -32.438 6.102 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -34.813 5.710 6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -34.409 6.910 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -34.770 5.335 4.750 1.00 0.00 H new ATOM 175 N THR A 11 -27.704 5.142 5.166 1.00 0.00 N ATOM 176 CA THR A 11 -26.730 5.655 6.117 1.00 0.00 C ATOM 177 C THR A 11 -26.521 4.665 7.263 1.00 0.00 C ATOM 178 O THR A 11 -27.432 4.409 8.050 1.00 0.00 O ATOM 179 CB THR A 11 -27.178 7.020 6.687 1.00 0.00 C ATOM 180 OG1 THR A 11 -28.612 7.077 6.760 1.00 0.00 O ATOM 181 CG2 THR A 11 -26.662 8.166 5.830 1.00 0.00 C ATOM 0 H THR A 11 -28.464 4.611 5.592 1.00 0.00 H new ATOM 0 HA THR A 11 -25.788 5.789 5.585 1.00 0.00 H new ATOM 0 HB THR A 11 -26.759 7.122 7.688 1.00 0.00 H new ATOM 0 HG1 THR A 11 -28.887 7.944 7.124 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.992 9.114 6.254 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.573 8.139 5.804 1.00 0.00 H new ATOM 0 HG23 THR A 11 -27.051 8.066 4.817 1.00 0.00 H new ATOM 189 N TYR A 12 -25.325 4.100 7.337 1.00 0.00 N ATOM 190 CA TYR A 12 -24.989 3.147 8.387 1.00 0.00 C ATOM 191 C TYR A 12 -23.765 3.625 9.166 1.00 0.00 C ATOM 192 O TYR A 12 -22.646 3.540 8.675 1.00 0.00 O ATOM 193 CB TYR A 12 -24.702 1.783 7.760 1.00 0.00 C ATOM 194 CG TYR A 12 -24.892 0.608 8.689 1.00 0.00 C ATOM 195 CD1 TYR A 12 -24.095 0.440 9.812 1.00 0.00 C ATOM 196 CD2 TYR A 12 -25.875 -0.334 8.433 1.00 0.00 C ATOM 197 CE1 TYR A 12 -24.271 -0.637 10.657 1.00 0.00 C ATOM 198 CE2 TYR A 12 -26.060 -1.418 9.272 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.254 -1.565 10.383 1.00 0.00 C ATOM 200 OH TYR A 12 -25.431 -2.643 11.219 1.00 0.00 O ATOM 0 H TYR A 12 -24.567 4.285 6.680 1.00 0.00 H new ATOM 0 HA TYR A 12 -25.830 3.064 9.075 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -25.351 1.653 6.894 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -23.676 1.776 7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -23.324 1.164 10.029 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -26.507 -0.220 7.565 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -23.643 -0.752 11.528 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -26.830 -2.145 9.059 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.110 -3.456 10.776 1.00 0.00 H new ATOM 210 N ASN A 13 -23.976 4.139 10.368 1.00 0.00 N ATOM 211 CA ASN A 13 -22.863 4.612 11.191 1.00 0.00 C ATOM 212 C ASN A 13 -22.326 3.496 12.078 1.00 0.00 C ATOM 213 O ASN A 13 -23.063 2.909 12.869 1.00 0.00 O ATOM 214 CB ASN A 13 -23.283 5.801 12.065 1.00 0.00 C ATOM 215 CG ASN A 13 -22.178 6.237 13.020 1.00 0.00 C ATOM 216 OD1 ASN A 13 -22.078 5.744 14.144 1.00 0.00 O ATOM 217 ND2 ASN A 13 -21.339 7.166 12.586 1.00 0.00 N ATOM 0 H ASN A 13 -24.896 4.241 10.796 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.076 4.936 10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.559 6.639 11.425 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -24.170 5.532 12.638 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -20.583 7.492 13.189 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.449 7.555 11.649 1.00 0.00 H new ATOM 224 N VAL A 14 -21.043 3.204 11.933 1.00 0.00 N ATOM 225 CA VAL A 14 -20.373 2.246 12.796 1.00 0.00 C ATOM 226 C VAL A 14 -19.227 2.928 13.530 1.00 0.00 C ATOM 227 O VAL A 14 -18.242 3.336 12.909 1.00 0.00 O ATOM 228 CB VAL A 14 -19.827 1.034 12.008 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.159 0.038 12.947 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.935 0.355 11.223 1.00 0.00 C ATOM 0 H VAL A 14 -20.442 3.620 11.221 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.111 1.876 13.508 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.081 1.401 11.303 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.782 -0.808 12.372 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.331 0.524 13.464 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.885 -0.316 13.678 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.526 -0.495 10.677 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.707 0.007 11.910 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.369 1.064 10.518 1.00 0.00 H new ATOM 240 N MET A 15 -19.381 3.072 14.846 1.00 0.00 N ATOM 241 CA MET A 15 -18.371 3.698 15.701 1.00 0.00 C ATOM 242 C MET A 15 -18.188 5.170 15.339 1.00 0.00 C ATOM 243 O MET A 15 -18.945 6.033 15.791 1.00 0.00 O ATOM 244 CB MET A 15 -17.024 2.964 15.611 1.00 0.00 C ATOM 245 CG MET A 15 -17.087 1.503 16.023 1.00 0.00 C ATOM 246 SD MET A 15 -15.494 0.674 15.876 1.00 0.00 S ATOM 247 CE MET A 15 -15.932 -0.977 16.414 1.00 0.00 C ATOM 0 H MET A 15 -20.210 2.758 15.350 1.00 0.00 H new ATOM 0 HA MET A 15 -18.729 3.629 16.728 1.00 0.00 H new ATOM 0 HB2 MET A 15 -16.656 3.026 14.587 1.00 0.00 H new ATOM 0 HB3 MET A 15 -16.299 3.478 16.242 1.00 0.00 H new ATOM 0 HG2 MET A 15 -17.435 1.434 17.054 1.00 0.00 H new ATOM 0 HG3 MET A 15 -17.820 0.986 15.404 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.050 -1.617 16.380 1.00 0.00 H new ATOM 0 HE2 MET A 15 -16.313 -0.938 17.434 1.00 0.00 H new ATOM 0 HE3 MET A 15 -16.700 -1.383 15.755 1.00 0.00 H new ATOM 257 N GLY A 16 -17.200 5.446 14.501 1.00 0.00 N ATOM 258 CA GLY A 16 -16.939 6.803 14.077 1.00 0.00 C ATOM 259 C GLY A 16 -16.893 6.919 12.572 1.00 0.00 C ATOM 260 O GLY A 16 -16.365 7.890 12.033 1.00 0.00 O ATOM 0 H GLY A 16 -16.571 4.747 14.105 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -17.713 7.462 14.469 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.991 7.140 14.497 1.00 0.00 H new ATOM 264 N ILE A 17 -17.431 5.919 11.889 1.00 0.00 N ATOM 265 CA ILE A 17 -17.462 5.918 10.434 1.00 0.00 C ATOM 266 C ILE A 17 -18.900 5.773 9.943 1.00 0.00 C ATOM 267 O ILE A 17 -19.527 4.727 10.125 1.00 0.00 O ATOM 268 CB ILE A 17 -16.599 4.784 9.817 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.127 4.896 10.241 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.699 4.808 8.300 1.00 0.00 C ATOM 271 CD1 ILE A 17 -14.827 4.305 11.603 1.00 0.00 C ATOM 0 H ILE A 17 -17.853 5.096 12.320 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.041 6.870 10.110 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.988 3.837 10.192 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.507 4.397 9.496 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.840 5.947 10.242 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.089 4.007 7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.738 4.666 8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.342 5.768 7.927 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.767 4.425 11.826 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.418 4.819 12.361 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.080 3.245 11.603 1.00 0.00 H new ATOM 283 N THR A 18 -19.428 6.835 9.356 1.00 0.00 N ATOM 284 CA THR A 18 -20.768 6.811 8.795 1.00 0.00 C ATOM 285 C THR A 18 -20.730 6.387 7.332 1.00 0.00 C ATOM 286 O THR A 18 -20.302 7.150 6.463 1.00 0.00 O ATOM 287 CB THR A 18 -21.452 8.190 8.911 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.399 8.647 10.270 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.903 8.124 8.456 1.00 0.00 C ATOM 0 H THR A 18 -18.946 7.728 9.256 1.00 0.00 H new ATOM 0 HA THR A 18 -21.347 6.086 9.368 1.00 0.00 H new ATOM 0 HB THR A 18 -20.918 8.887 8.265 1.00 0.00 H new ATOM 0 HG1 THR A 18 -22.310 8.763 10.612 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.359 9.110 8.549 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.944 7.802 7.415 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.447 7.413 9.077 1.00 0.00 H new ATOM 297 N PHE A 19 -21.179 5.171 7.068 1.00 0.00 N ATOM 298 CA PHE A 19 -21.216 4.645 5.716 1.00 0.00 C ATOM 299 C PHE A 19 -22.492 5.085 5.021 1.00 0.00 C ATOM 300 O PHE A 19 -23.519 5.307 5.664 1.00 0.00 O ATOM 301 CB PHE A 19 -21.159 3.114 5.729 1.00 0.00 C ATOM 302 CG PHE A 19 -19.938 2.553 6.393 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.753 2.423 5.692 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.981 2.144 7.715 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.632 1.900 6.299 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.864 1.618 8.327 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.688 1.495 7.620 1.00 0.00 C ATOM 0 H PHE A 19 -21.525 4.527 7.779 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.350 5.031 5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.044 2.732 6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.200 2.751 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.706 2.734 4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.901 2.238 8.273 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.711 1.806 5.744 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.910 1.303 9.359 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.811 1.083 8.097 1.00 0.00 H new ATOM 317 N ARG A 20 -22.426 5.216 3.708 1.00 0.00 N ATOM 318 CA ARG A 20 -23.576 5.643 2.931 1.00 0.00 C ATOM 319 C ARG A 20 -23.752 4.758 1.707 1.00 0.00 C ATOM 320 O ARG A 20 -22.770 4.279 1.137 1.00 0.00 O ATOM 321 CB ARG A 20 -23.422 7.107 2.519 1.00 0.00 C ATOM 322 CG ARG A 20 -23.651 8.082 3.663 1.00 0.00 C ATOM 323 CD ARG A 20 -23.301 9.504 3.268 1.00 0.00 C ATOM 324 NE ARG A 20 -21.859 9.728 3.225 1.00 0.00 N ATOM 325 CZ ARG A 20 -21.223 10.314 2.215 1.00 0.00 C ATOM 326 NH1 ARG A 20 -21.874 10.619 1.099 1.00 0.00 N ATOM 327 NH2 ARG A 20 -19.927 10.565 2.320 1.00 0.00 N ATOM 0 H ARG A 20 -21.587 5.033 3.157 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.468 5.549 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.421 7.260 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.126 7.327 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.694 8.038 3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -23.048 7.784 4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.730 9.723 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.753 10.197 3.977 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.304 9.415 4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -22.867 10.404 1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.381 11.068 0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.425 10.309 3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.431 11.014 1.550 1.00 0.00 H new ATOM 341 N ALA A 21 -25.004 4.530 1.328 1.00 0.00 N ATOM 342 CA ALA A 21 -25.326 3.693 0.177 1.00 0.00 C ATOM 343 C ALA A 21 -24.614 4.164 -1.090 1.00 0.00 C ATOM 344 O ALA A 21 -24.854 5.269 -1.584 1.00 0.00 O ATOM 345 CB ALA A 21 -26.829 3.664 -0.043 1.00 0.00 C ATOM 0 H ALA A 21 -25.819 4.916 1.805 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.973 2.685 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -27.059 3.037 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.319 3.258 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.190 4.676 -0.225 1.00 0.00 H new ATOM 351 N GLY A 22 -23.719 3.324 -1.592 1.00 0.00 N ATOM 352 CA GLY A 22 -23.012 3.627 -2.820 1.00 0.00 C ATOM 353 C GLY A 22 -21.656 4.255 -2.572 1.00 0.00 C ATOM 354 O GLY A 22 -20.871 4.438 -3.504 1.00 0.00 O ATOM 0 H GLY A 22 -23.469 2.431 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.884 2.711 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.616 4.303 -3.425 1.00 0.00 H new ATOM 358 N VAL A 23 -21.366 4.573 -1.320 1.00 0.00 N ATOM 359 CA VAL A 23 -20.126 5.255 -0.978 1.00 0.00 C ATOM 360 C VAL A 23 -19.093 4.280 -0.424 1.00 0.00 C ATOM 361 O VAL A 23 -19.365 3.542 0.525 1.00 0.00 O ATOM 362 CB VAL A 23 -20.370 6.383 0.047 1.00 0.00 C ATOM 363 CG1 VAL A 23 -19.079 7.121 0.366 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.428 7.350 -0.467 1.00 0.00 C ATOM 0 H VAL A 23 -21.971 4.370 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.740 5.693 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.733 5.929 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.280 7.910 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.354 6.422 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.676 7.560 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.588 8.139 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -21.093 7.791 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.362 6.813 -0.632 1.00 0.00 H new ATOM 374 N SER A 24 -17.916 4.272 -1.036 1.00 0.00 N ATOM 375 CA SER A 24 -16.812 3.444 -0.574 1.00 0.00 C ATOM 376 C SER A 24 -15.903 4.249 0.350 1.00 0.00 C ATOM 377 O SER A 24 -15.373 5.295 -0.038 1.00 0.00 O ATOM 378 CB SER A 24 -16.006 2.918 -1.764 1.00 0.00 C ATOM 379 OG SER A 24 -16.826 2.169 -2.650 1.00 0.00 O ATOM 0 H SER A 24 -17.702 4.834 -1.859 1.00 0.00 H new ATOM 0 HA SER A 24 -17.221 2.597 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.556 3.754 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.189 2.293 -1.405 1.00 0.00 H new ATOM 0 HG SER A 24 -16.286 1.847 -3.402 1.00 0.00 H new ATOM 385 N GLN A 25 -15.735 3.770 1.573 1.00 0.00 N ATOM 386 CA GLN A 25 -14.906 4.457 2.553 1.00 0.00 C ATOM 387 C GLN A 25 -13.827 3.525 3.090 1.00 0.00 C ATOM 388 O GLN A 25 -14.047 2.320 3.216 1.00 0.00 O ATOM 389 CB GLN A 25 -15.771 4.978 3.702 1.00 0.00 C ATOM 390 CG GLN A 25 -16.825 5.977 3.258 1.00 0.00 C ATOM 391 CD GLN A 25 -17.709 6.442 4.394 1.00 0.00 C ATOM 392 OE1 GLN A 25 -17.288 6.500 5.545 1.00 0.00 O ATOM 393 NE2 GLN A 25 -18.947 6.776 4.074 1.00 0.00 N ATOM 0 H GLN A 25 -16.162 2.908 1.911 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.421 5.302 2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.262 4.135 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.128 5.446 4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -16.334 6.840 2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.444 5.524 2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.258 6.713 3.104 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.592 7.096 4.797 1.00 0.00 H new ATOM 402 N THR A 26 -12.665 4.086 3.391 1.00 0.00 N ATOM 403 CA THR A 26 -11.550 3.310 3.915 1.00 0.00 C ATOM 404 C THR A 26 -11.788 2.949 5.383 1.00 0.00 C ATOM 405 O THR A 26 -12.049 3.824 6.213 1.00 0.00 O ATOM 406 CB THR A 26 -10.233 4.098 3.788 1.00 0.00 C ATOM 407 OG1 THR A 26 -10.095 4.603 2.449 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.035 3.222 4.130 1.00 0.00 C ATOM 0 H THR A 26 -12.469 5.081 3.281 1.00 0.00 H new ATOM 0 HA THR A 26 -11.475 2.394 3.329 1.00 0.00 H new ATOM 0 HB THR A 26 -10.264 4.929 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.257 5.105 2.373 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.119 3.804 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.128 2.862 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.999 2.372 3.449 1.00 0.00 H new ATOM 416 N VAL A 27 -11.692 1.665 5.702 1.00 0.00 N ATOM 417 CA VAL A 27 -11.973 1.192 7.050 1.00 0.00 C ATOM 418 C VAL A 27 -10.779 0.451 7.641 1.00 0.00 C ATOM 419 O VAL A 27 -9.944 -0.084 6.907 1.00 0.00 O ATOM 420 CB VAL A 27 -13.204 0.258 7.084 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.425 0.975 6.542 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.945 -1.026 6.305 1.00 0.00 C ATOM 0 H VAL A 27 -11.422 0.933 5.045 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.181 2.079 7.648 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.392 -0.016 8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.284 0.305 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.630 1.855 7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.240 1.281 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.829 -1.662 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.723 -0.783 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.098 -1.553 6.743 1.00 0.00 H new ATOM 432 N PRO A 28 -10.677 0.430 8.982 1.00 0.00 N ATOM 433 CA PRO A 28 -9.684 -0.380 9.689 1.00 0.00 C ATOM 434 C PRO A 28 -9.966 -1.866 9.513 1.00 0.00 C ATOM 435 O PRO A 28 -11.073 -2.256 9.126 1.00 0.00 O ATOM 436 CB PRO A 28 -9.848 0.023 11.162 1.00 0.00 C ATOM 437 CG PRO A 28 -10.634 1.287 11.137 1.00 0.00 C ATOM 438 CD PRO A 28 -11.501 1.210 9.915 1.00 0.00 C ATOM 0 HA PRO A 28 -8.674 -0.213 9.314 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.367 -0.752 11.727 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.880 0.171 11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.238 1.389 12.038 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.976 2.155 11.095 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.452 0.719 10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.733 2.199 9.520 1.00 0.00 H new ATOM 446 N LYS A 29 -8.983 -2.694 9.821 1.00 0.00 N ATOM 447 CA LYS A 29 -9.100 -4.126 9.597 1.00 0.00 C ATOM 448 C LYS A 29 -10.208 -4.728 10.464 1.00 0.00 C ATOM 449 O LYS A 29 -10.876 -5.678 10.051 1.00 0.00 O ATOM 450 CB LYS A 29 -7.761 -4.812 9.865 1.00 0.00 C ATOM 451 CG LYS A 29 -7.673 -6.216 9.301 1.00 0.00 C ATOM 452 CD LYS A 29 -6.253 -6.738 9.355 1.00 0.00 C ATOM 453 CE LYS A 29 -6.106 -8.028 8.570 1.00 0.00 C ATOM 454 NZ LYS A 29 -4.694 -8.479 8.513 1.00 0.00 N ATOM 0 H LYS A 29 -8.095 -2.400 10.227 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.371 -4.292 8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.961 -4.207 9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.591 -4.851 10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.329 -6.879 9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.026 -6.220 8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.572 -5.987 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.965 -6.907 10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.718 -8.805 9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.483 -7.883 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.634 -9.363 7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.115 -7.748 8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.342 -8.642 9.478 1.00 0.00 H new ATOM 468 N LYS A 30 -10.407 -4.161 11.657 1.00 0.00 N ATOM 469 CA LYS A 30 -11.500 -4.589 12.532 1.00 0.00 C ATOM 470 C LYS A 30 -12.828 -4.517 11.798 1.00 0.00 C ATOM 471 O LYS A 30 -13.577 -5.490 11.748 1.00 0.00 O ATOM 472 CB LYS A 30 -11.599 -3.717 13.787 1.00 0.00 C ATOM 473 CG LYS A 30 -10.418 -3.812 14.737 1.00 0.00 C ATOM 474 CD LYS A 30 -10.754 -3.151 16.067 1.00 0.00 C ATOM 475 CE LYS A 30 -9.542 -3.005 16.969 1.00 0.00 C ATOM 476 NZ LYS A 30 -8.546 -2.059 16.407 1.00 0.00 N ATOM 0 H LYS A 30 -9.830 -3.410 12.036 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.283 -5.616 12.827 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.714 -2.678 13.479 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.504 -3.991 14.330 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.156 -4.858 14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.547 -3.330 14.294 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.184 -2.167 15.881 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.515 -3.740 16.579 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.860 -2.656 17.951 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.076 -3.980 17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.857 -1.803 17.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.051 -2.509 15.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.031 -1.202 16.074 1.00 0.00 H new ATOM 490 N LEU A 31 -13.099 -3.358 11.210 1.00 0.00 N ATOM 491 CA LEU A 31 -14.374 -3.115 10.558 1.00 0.00 C ATOM 492 C LEU A 31 -14.533 -3.969 9.312 1.00 0.00 C ATOM 493 O LEU A 31 -15.637 -4.401 8.997 1.00 0.00 O ATOM 494 CB LEU A 31 -14.545 -1.633 10.213 1.00 0.00 C ATOM 495 CG LEU A 31 -14.641 -0.693 11.418 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.957 0.719 10.961 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.700 -1.182 12.397 1.00 0.00 C ATOM 0 H LEU A 31 -12.450 -2.572 11.173 1.00 0.00 H new ATOM 0 HA LEU A 31 -15.156 -3.397 11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.704 -1.321 9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -15.445 -1.518 9.609 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.678 -0.688 11.928 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.022 1.376 11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.168 1.072 10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.908 0.725 10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.753 -0.501 13.246 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.669 -1.216 11.898 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.438 -2.180 12.748 1.00 0.00 H new ATOM 509 N TYR A 32 -13.433 -4.229 8.615 1.00 0.00 N ATOM 510 CA TYR A 32 -13.478 -5.074 7.427 1.00 0.00 C ATOM 511 C TYR A 32 -14.010 -6.458 7.782 1.00 0.00 C ATOM 512 O TYR A 32 -14.854 -7.007 7.081 1.00 0.00 O ATOM 513 CB TYR A 32 -12.090 -5.191 6.793 1.00 0.00 C ATOM 514 CG TYR A 32 -12.070 -6.024 5.531 1.00 0.00 C ATOM 515 CD1 TYR A 32 -12.557 -5.513 4.335 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.568 -7.320 5.536 1.00 0.00 C ATOM 517 CE1 TYR A 32 -12.545 -6.268 3.180 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.554 -8.082 4.383 1.00 0.00 C ATOM 519 CZ TYR A 32 -12.043 -7.551 3.208 1.00 0.00 C ATOM 520 OH TYR A 32 -12.034 -8.308 2.057 1.00 0.00 O ATOM 0 H TYR A 32 -12.507 -3.871 8.849 1.00 0.00 H new ATOM 0 HA TYR A 32 -14.150 -4.612 6.704 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.718 -4.192 6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.404 -5.629 7.518 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.952 -4.508 4.308 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.183 -7.738 6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.927 -5.855 2.258 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.162 -9.088 4.402 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.646 -9.188 2.247 1.00 0.00 H new ATOM 530 N GLU A 33 -13.522 -7.003 8.888 1.00 0.00 N ATOM 531 CA GLU A 33 -13.944 -8.320 9.348 1.00 0.00 C ATOM 532 C GLU A 33 -15.314 -8.237 10.021 1.00 0.00 C ATOM 533 O GLU A 33 -16.178 -9.093 9.818 1.00 0.00 O ATOM 534 CB GLU A 33 -12.901 -8.890 10.312 1.00 0.00 C ATOM 535 CG GLU A 33 -13.211 -10.293 10.800 1.00 0.00 C ATOM 536 CD GLU A 33 -12.137 -10.829 11.723 1.00 0.00 C ATOM 537 OE1 GLU A 33 -12.090 -10.407 12.898 1.00 0.00 O ATOM 538 OE2 GLU A 33 -11.333 -11.672 11.281 1.00 0.00 O ATOM 0 H GLU A 33 -12.830 -6.551 9.486 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.029 -8.986 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.929 -8.895 9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.817 -8.227 11.173 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.168 -10.291 11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.317 -10.959 9.943 1.00 0.00 H new ATOM 545 N TYR A 34 -15.512 -7.179 10.796 1.00 0.00 N ATOM 546 CA TYR A 34 -16.767 -6.951 11.505 1.00 0.00 C ATOM 547 C TYR A 34 -17.923 -6.848 10.516 1.00 0.00 C ATOM 548 O TYR A 34 -19.008 -7.381 10.750 1.00 0.00 O ATOM 549 CB TYR A 34 -16.656 -5.671 12.339 1.00 0.00 C ATOM 550 CG TYR A 34 -17.822 -5.425 13.272 1.00 0.00 C ATOM 551 CD1 TYR A 34 -18.136 -6.333 14.275 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.595 -4.276 13.160 1.00 0.00 C ATOM 553 CE1 TYR A 34 -19.187 -6.102 15.141 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.649 -4.042 14.020 1.00 0.00 C ATOM 555 CZ TYR A 34 -19.941 -4.958 15.007 1.00 0.00 C ATOM 556 OH TYR A 34 -20.982 -4.722 15.874 1.00 0.00 O ATOM 0 H TYR A 34 -14.810 -6.456 10.952 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.963 -7.792 12.170 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.739 -5.715 12.927 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.562 -4.820 11.664 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.549 -7.234 14.379 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.368 -3.555 12.389 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -19.416 -6.815 15.919 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.242 -3.145 13.920 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.412 -3.872 15.645 1.00 0.00 H new ATOM 566 N LEU A 35 -17.677 -6.174 9.401 1.00 0.00 N ATOM 567 CA LEU A 35 -18.681 -6.031 8.360 1.00 0.00 C ATOM 568 C LEU A 35 -18.618 -7.204 7.389 1.00 0.00 C ATOM 569 O LEU A 35 -19.531 -7.413 6.597 1.00 0.00 O ATOM 570 CB LEU A 35 -18.496 -4.707 7.613 1.00 0.00 C ATOM 571 CG LEU A 35 -18.530 -3.456 8.493 1.00 0.00 C ATOM 572 CD1 LEU A 35 -18.294 -2.211 7.657 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.852 -3.362 9.242 1.00 0.00 C ATOM 0 H LEU A 35 -16.788 -5.717 9.195 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.664 -6.027 8.831 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.543 -4.735 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.277 -4.622 6.857 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.729 -3.530 9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.322 -1.331 8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.319 -2.277 7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.071 -2.130 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.856 -2.466 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.673 -3.312 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.975 -4.241 9.874 1.00 0.00 H new ATOM 585 N ASN A 36 -17.541 -7.978 7.462 1.00 0.00 N ATOM 586 CA ASN A 36 -17.407 -9.184 6.653 1.00 0.00 C ATOM 587 C ASN A 36 -18.484 -10.182 7.046 1.00 0.00 C ATOM 588 O ASN A 36 -19.038 -10.889 6.200 1.00 0.00 O ATOM 589 CB ASN A 36 -16.018 -9.801 6.841 1.00 0.00 C ATOM 590 CG ASN A 36 -15.768 -10.993 5.940 1.00 0.00 C ATOM 591 OD1 ASN A 36 -15.311 -10.842 4.805 1.00 0.00 O ATOM 592 ND2 ASN A 36 -16.049 -12.186 6.434 1.00 0.00 N ATOM 0 H ASN A 36 -16.747 -7.791 8.074 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.527 -8.923 5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.261 -9.042 6.647 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.902 -10.108 7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.889 -13.022 5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.426 -12.271 7.378 1.00 0.00 H new ATOM 599 N GLU A 37 -18.779 -10.218 8.342 1.00 0.00 N ATOM 600 CA GLU A 37 -19.846 -11.062 8.869 1.00 0.00 C ATOM 601 C GLU A 37 -21.211 -10.376 8.756 1.00 0.00 C ATOM 602 O GLU A 37 -22.212 -10.877 9.267 1.00 0.00 O ATOM 603 CB GLU A 37 -19.562 -11.430 10.330 1.00 0.00 C ATOM 604 CG GLU A 37 -18.750 -12.709 10.503 1.00 0.00 C ATOM 605 CD GLU A 37 -17.408 -12.679 9.801 1.00 0.00 C ATOM 606 OE1 GLU A 37 -17.347 -13.063 8.614 1.00 0.00 O ATOM 607 OE2 GLU A 37 -16.408 -12.295 10.435 1.00 0.00 O ATOM 0 H GLU A 37 -18.291 -9.669 9.050 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.876 -11.972 8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.028 -10.606 10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.510 -11.540 10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -18.590 -12.886 11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.330 -13.551 10.124 1.00 0.00 H new ATOM 614 N ASN A 38 -21.250 -9.241 8.069 1.00 0.00 N ATOM 615 CA ASN A 38 -22.494 -8.496 7.878 1.00 0.00 C ATOM 616 C ASN A 38 -22.708 -8.199 6.392 1.00 0.00 C ATOM 617 O ASN A 38 -22.239 -7.185 5.871 1.00 0.00 O ATOM 618 CB ASN A 38 -22.482 -7.196 8.694 1.00 0.00 C ATOM 619 CG ASN A 38 -22.789 -7.426 10.165 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.950 -7.384 10.579 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.761 -7.654 10.971 1.00 0.00 N ATOM 0 H ASN A 38 -20.433 -8.813 7.633 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.322 -9.109 8.234 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.505 -6.722 8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.214 -6.503 8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.918 -7.802 11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.814 -7.682 10.594 1.00 0.00 H new ATOM 628 N PRO A 39 -23.426 -9.093 5.693 1.00 0.00 N ATOM 629 CA PRO A 39 -23.543 -9.080 4.227 1.00 0.00 C ATOM 630 C PRO A 39 -24.467 -7.988 3.668 1.00 0.00 C ATOM 631 O PRO A 39 -25.417 -8.278 2.942 1.00 0.00 O ATOM 632 CB PRO A 39 -24.119 -10.471 3.900 1.00 0.00 C ATOM 633 CG PRO A 39 -24.110 -11.233 5.186 1.00 0.00 C ATOM 634 CD PRO A 39 -24.184 -10.203 6.271 1.00 0.00 C ATOM 0 HA PRO A 39 -22.576 -8.863 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.130 -10.391 3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -23.517 -10.975 3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -24.955 -11.919 5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -23.205 -11.834 5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.213 -9.921 6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -23.741 -10.558 7.201 1.00 0.00 H new ATOM 642 N TYR A 40 -24.183 -6.734 3.990 1.00 0.00 N ATOM 643 CA TYR A 40 -24.868 -5.616 3.359 1.00 0.00 C ATOM 644 C TYR A 40 -23.858 -4.555 2.932 1.00 0.00 C ATOM 645 O TYR A 40 -24.195 -3.385 2.727 1.00 0.00 O ATOM 646 CB TYR A 40 -25.962 -5.033 4.266 1.00 0.00 C ATOM 647 CG TYR A 40 -25.646 -5.015 5.743 1.00 0.00 C ATOM 648 CD1 TYR A 40 -24.910 -3.985 6.302 1.00 0.00 C ATOM 649 CD2 TYR A 40 -26.115 -6.019 6.582 1.00 0.00 C ATOM 650 CE1 TYR A 40 -24.642 -3.954 7.655 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.856 -5.992 7.938 1.00 0.00 C ATOM 652 CZ TYR A 40 -25.119 -4.957 8.468 1.00 0.00 C ATOM 653 OH TYR A 40 -24.860 -4.921 9.818 1.00 0.00 O ATOM 0 H TYR A 40 -23.484 -6.466 4.683 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.373 -5.984 2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.169 -4.012 3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -26.877 -5.606 4.116 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -24.539 -3.193 5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -26.691 -6.833 6.167 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -24.060 -3.146 8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -26.229 -6.777 8.578 1.00 0.00 H new ATOM 0 HH TYR A 40 -24.768 -5.836 10.158 1.00 0.00 H new ATOM 663 N PHE A 41 -22.618 -5.003 2.769 1.00 0.00 N ATOM 664 CA PHE A 41 -21.536 -4.171 2.268 1.00 0.00 C ATOM 665 C PHE A 41 -20.836 -4.876 1.116 1.00 0.00 C ATOM 666 O PHE A 41 -20.782 -6.103 1.076 1.00 0.00 O ATOM 667 CB PHE A 41 -20.492 -3.903 3.362 1.00 0.00 C ATOM 668 CG PHE A 41 -20.898 -2.908 4.412 1.00 0.00 C ATOM 669 CD1 PHE A 41 -21.611 -3.304 5.529 1.00 0.00 C ATOM 670 CD2 PHE A 41 -20.536 -1.577 4.289 1.00 0.00 C ATOM 671 CE1 PHE A 41 -21.957 -2.389 6.504 1.00 0.00 C ATOM 672 CE2 PHE A 41 -20.883 -0.659 5.259 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.594 -1.066 6.369 1.00 0.00 C ATOM 0 H PHE A 41 -22.336 -5.960 2.983 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.970 -3.227 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.255 -4.847 3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.576 -3.551 2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -21.900 -4.339 5.640 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.976 -1.254 3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.512 -2.710 7.373 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.598 0.377 5.149 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.866 -0.350 7.130 1.00 0.00 H new ATOM 683 N ILE A 42 -20.314 -4.106 0.177 1.00 0.00 N ATOM 684 CA ILE A 42 -19.332 -4.635 -0.753 1.00 0.00 C ATOM 685 C ILE A 42 -17.945 -4.273 -0.243 1.00 0.00 C ATOM 686 O ILE A 42 -17.560 -3.103 -0.217 1.00 0.00 O ATOM 687 CB ILE A 42 -19.523 -4.114 -2.198 1.00 0.00 C ATOM 688 CG1 ILE A 42 -20.746 -4.774 -2.845 1.00 0.00 C ATOM 689 CG2 ILE A 42 -18.274 -4.376 -3.036 1.00 0.00 C ATOM 690 CD1 ILE A 42 -21.043 -4.268 -4.243 1.00 0.00 C ATOM 0 H ILE A 42 -20.550 -3.123 0.039 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.461 -5.716 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 42 -19.688 -3.037 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -20.588 -5.852 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -21.617 -4.602 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -18.430 -4.002 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.421 -3.866 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.078 -5.448 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -21.921 -4.780 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.233 -3.195 -4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -20.188 -4.464 -4.890 1.00 0.00 H new ATOM 702 N LEU A 43 -17.221 -5.282 0.208 1.00 0.00 N ATOM 703 CA LEU A 43 -15.922 -5.080 0.819 1.00 0.00 C ATOM 704 C LEU A 43 -14.826 -5.177 -0.226 1.00 0.00 C ATOM 705 O LEU A 43 -14.818 -6.089 -1.055 1.00 0.00 O ATOM 706 CB LEU A 43 -15.710 -6.115 1.920 1.00 0.00 C ATOM 707 CG LEU A 43 -16.729 -6.048 3.061 1.00 0.00 C ATOM 708 CD1 LEU A 43 -16.610 -7.268 3.959 1.00 0.00 C ATOM 709 CD2 LEU A 43 -16.536 -4.771 3.868 1.00 0.00 C ATOM 0 H LEU A 43 -17.515 -6.257 0.161 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.883 -4.083 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.745 -7.110 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.710 -5.986 2.335 1.00 0.00 H new ATOM 0 HG LEU A 43 -17.730 -6.039 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.343 -7.201 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.794 -8.169 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.607 -7.310 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.267 -4.737 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.530 -4.755 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.672 -3.906 3.219 1.00 0.00 H new ATOM 721 N THR A 44 -13.913 -4.223 -0.200 1.00 0.00 N ATOM 722 CA THR A 44 -12.842 -4.172 -1.173 1.00 0.00 C ATOM 723 C THR A 44 -11.523 -3.806 -0.495 1.00 0.00 C ATOM 724 O THR A 44 -11.503 -3.442 0.681 1.00 0.00 O ATOM 725 CB THR A 44 -13.150 -3.120 -2.263 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.566 -3.035 -2.477 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.468 -3.477 -3.576 1.00 0.00 C ATOM 0 H THR A 44 -13.894 -3.471 0.489 1.00 0.00 H new ATOM 0 HA THR A 44 -12.758 -5.158 -1.631 1.00 0.00 H new ATOM 0 HB THR A 44 -12.768 -2.159 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.753 -2.365 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.702 -2.720 -4.325 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.389 -3.518 -3.426 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.824 -4.449 -3.919 1.00 0.00 H new ATOM 877 N PRO A 54 8.626 4.406 -12.336 1.00 0.00 N ATOM 878 CA PRO A 54 8.679 3.148 -13.088 1.00 0.00 C ATOM 879 C PRO A 54 9.919 2.313 -12.770 1.00 0.00 C ATOM 880 O PRO A 54 10.989 2.539 -13.338 1.00 0.00 O ATOM 881 CB PRO A 54 8.705 3.592 -14.561 1.00 0.00 C ATOM 882 CG PRO A 54 8.392 5.051 -14.551 1.00 0.00 C ATOM 883 CD PRO A 54 8.843 5.564 -13.214 1.00 0.00 C ATOM 0 HA PRO A 54 7.834 2.508 -12.836 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.681 3.404 -15.009 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.973 3.039 -15.149 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.909 5.566 -15.361 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.325 5.222 -14.694 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.889 5.871 -13.229 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.262 6.429 -12.895 1.00 0.00 H new ATOM 891 N ILE A 55 9.772 1.379 -11.832 1.00 0.00 N ATOM 892 CA ILE A 55 10.840 0.436 -11.486 1.00 0.00 C ATOM 893 C ILE A 55 10.354 -0.515 -10.384 1.00 0.00 C ATOM 894 O ILE A 55 11.134 -1.092 -9.630 1.00 0.00 O ATOM 895 CB ILE A 55 12.121 1.186 -11.039 1.00 0.00 C ATOM 896 CG1 ILE A 55 13.316 0.227 -10.954 1.00 0.00 C ATOM 897 CG2 ILE A 55 11.907 1.906 -9.712 1.00 0.00 C ATOM 898 CD1 ILE A 55 13.609 -0.491 -12.253 1.00 0.00 C ATOM 0 H ILE A 55 8.916 1.253 -11.292 1.00 0.00 H new ATOM 0 HA ILE A 55 11.092 -0.147 -12.372 1.00 0.00 H new ATOM 0 HB ILE A 55 12.344 1.940 -11.794 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.200 0.788 -10.651 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.124 -0.511 -10.176 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.824 2.422 -9.426 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.100 2.631 -9.817 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.644 1.180 -8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.466 -1.151 -12.118 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.740 -1.079 -12.548 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.833 0.240 -13.030 1.00 0.00 H new ATOM 910 N ASN A 56 9.046 -0.714 -10.344 1.00 0.00 N ATOM 911 CA ASN A 56 8.414 -1.486 -9.281 1.00 0.00 C ATOM 912 C ASN A 56 7.002 -1.892 -9.679 1.00 0.00 C ATOM 913 O ASN A 56 6.058 -1.109 -9.589 1.00 0.00 O ATOM 914 CB ASN A 56 8.417 -0.717 -7.944 1.00 0.00 C ATOM 915 CG ASN A 56 8.128 0.777 -8.064 1.00 0.00 C ATOM 916 OD1 ASN A 56 8.744 1.580 -7.370 1.00 0.00 O ATOM 917 ND2 ASN A 56 7.166 1.162 -8.889 1.00 0.00 N ATOM 0 H ASN A 56 8.396 -0.349 -11.040 1.00 0.00 H new ATOM 0 HA ASN A 56 9.000 -2.393 -9.134 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.675 -1.164 -7.282 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.389 -0.848 -7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.920 2.149 -8.960 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.671 0.471 -9.453 1.00 0.00 H new ATOM 924 N TYR A 57 6.873 -3.119 -10.155 1.00 0.00 N ATOM 925 CA TYR A 57 5.599 -3.630 -10.636 1.00 0.00 C ATOM 926 C TYR A 57 5.459 -5.092 -10.246 1.00 0.00 C ATOM 927 O TYR A 57 6.455 -5.747 -9.937 1.00 0.00 O ATOM 928 CB TYR A 57 5.503 -3.487 -12.163 1.00 0.00 C ATOM 929 CG TYR A 57 5.611 -2.059 -12.655 1.00 0.00 C ATOM 930 CD1 TYR A 57 6.851 -1.486 -12.923 1.00 0.00 C ATOM 931 CD2 TYR A 57 4.476 -1.283 -12.843 1.00 0.00 C ATOM 932 CE1 TYR A 57 6.954 -0.179 -13.360 1.00 0.00 C ATOM 933 CE2 TYR A 57 4.570 0.025 -13.281 1.00 0.00 C ATOM 934 CZ TYR A 57 5.811 0.572 -13.536 1.00 0.00 C ATOM 935 OH TYR A 57 5.907 1.874 -13.970 1.00 0.00 O ATOM 0 H TYR A 57 7.642 -3.786 -10.219 1.00 0.00 H new ATOM 0 HA TYR A 57 4.794 -3.052 -10.182 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.293 -4.080 -12.624 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.554 -3.905 -12.498 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.748 -2.073 -12.787 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.503 -1.708 -12.644 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.924 0.251 -13.562 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.677 0.616 -13.423 1.00 0.00 H new ATOM 0 HH TYR A 57 5.010 2.261 -14.043 1.00 0.00 H new ATOM 945 N THR A 58 4.226 -5.587 -10.241 1.00 0.00 N ATOM 946 CA THR A 58 3.959 -6.991 -9.975 1.00 0.00 C ATOM 947 C THR A 58 4.711 -7.863 -10.963 1.00 0.00 C ATOM 948 O THR A 58 4.765 -7.548 -12.149 1.00 0.00 O ATOM 949 CB THR A 58 2.452 -7.282 -10.088 1.00 0.00 C ATOM 950 OG1 THR A 58 1.702 -6.166 -9.593 1.00 0.00 O ATOM 951 CG2 THR A 58 2.076 -8.531 -9.308 1.00 0.00 C ATOM 0 H THR A 58 3.391 -5.029 -10.420 1.00 0.00 H new ATOM 0 HA THR A 58 4.294 -7.216 -8.962 1.00 0.00 H new ATOM 0 HB THR A 58 2.217 -7.447 -11.140 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.893 -6.050 -10.134 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.006 -8.712 -9.406 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.626 -9.385 -9.702 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.326 -8.392 -8.256 1.00 0.00 H new ATOM 959 N GLU A 59 5.310 -8.945 -10.486 1.00 0.00 N ATOM 960 CA GLU A 59 5.990 -9.864 -11.383 1.00 0.00 C ATOM 961 C GLU A 59 4.989 -10.475 -12.354 1.00 0.00 C ATOM 962 O GLU A 59 5.321 -10.772 -13.500 1.00 0.00 O ATOM 963 CB GLU A 59 6.767 -10.937 -10.603 1.00 0.00 C ATOM 964 CG GLU A 59 5.990 -11.635 -9.493 1.00 0.00 C ATOM 965 CD GLU A 59 5.022 -12.683 -10.003 1.00 0.00 C ATOM 966 OE1 GLU A 59 5.478 -13.677 -10.603 1.00 0.00 O ATOM 967 OE2 GLU A 59 3.802 -12.516 -9.814 1.00 0.00 O ATOM 0 H GLU A 59 5.339 -9.204 -9.500 1.00 0.00 H new ATOM 0 HA GLU A 59 6.728 -9.309 -11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.116 -11.692 -11.308 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.652 -10.474 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.694 -12.105 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.438 -10.889 -8.921 1.00 0.00 H new ATOM 974 N SER A 60 3.754 -10.631 -11.890 1.00 0.00 N ATOM 975 CA SER A 60 2.659 -11.048 -12.747 1.00 0.00 C ATOM 976 C SER A 60 2.395 -9.976 -13.797 1.00 0.00 C ATOM 977 O SER A 60 2.194 -10.283 -14.972 1.00 0.00 O ATOM 978 CB SER A 60 1.397 -11.301 -11.912 1.00 0.00 C ATOM 979 OG SER A 60 0.335 -11.791 -12.714 1.00 0.00 O ATOM 0 H SER A 60 3.489 -10.473 -10.918 1.00 0.00 H new ATOM 0 HA SER A 60 2.931 -11.977 -13.248 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.619 -12.019 -11.122 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.090 -10.376 -11.425 1.00 0.00 H new ATOM 0 HG SER A 60 -0.454 -11.944 -12.154 1.00 0.00 H new ATOM 985 N GLU A 61 2.441 -8.714 -13.376 1.00 0.00 N ATOM 986 CA GLU A 61 2.214 -7.609 -14.298 1.00 0.00 C ATOM 987 C GLU A 61 3.359 -7.508 -15.295 1.00 0.00 C ATOM 988 O GLU A 61 3.138 -7.313 -16.484 1.00 0.00 O ATOM 989 CB GLU A 61 2.049 -6.285 -13.544 1.00 0.00 C ATOM 990 CG GLU A 61 0.601 -5.919 -13.252 1.00 0.00 C ATOM 991 CD GLU A 61 -0.138 -6.976 -12.457 1.00 0.00 C ATOM 992 OE1 GLU A 61 -0.596 -7.967 -13.062 1.00 0.00 O ATOM 993 OE2 GLU A 61 -0.285 -6.810 -11.232 1.00 0.00 O ATOM 0 H GLU A 61 2.631 -8.435 -12.413 1.00 0.00 H new ATOM 0 HA GLU A 61 1.289 -7.807 -14.840 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.596 -6.343 -12.603 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.505 -5.486 -14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.576 -4.978 -12.703 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.079 -5.752 -14.194 1.00 0.00 H new ATOM 1000 N LEU A 62 4.576 -7.668 -14.802 1.00 0.00 N ATOM 1001 CA LEU A 62 5.766 -7.587 -15.636 1.00 0.00 C ATOM 1002 C LEU A 62 5.821 -8.737 -16.644 1.00 0.00 C ATOM 1003 O LEU A 62 6.326 -8.570 -17.757 1.00 0.00 O ATOM 1004 CB LEU A 62 7.021 -7.566 -14.759 1.00 0.00 C ATOM 1005 CG LEU A 62 7.184 -6.302 -13.909 1.00 0.00 C ATOM 1006 CD1 LEU A 62 8.347 -6.439 -12.939 1.00 0.00 C ATOM 1007 CD2 LEU A 62 7.383 -5.088 -14.802 1.00 0.00 C ATOM 0 H LEU A 62 4.768 -7.857 -13.818 1.00 0.00 H new ATOM 0 HA LEU A 62 5.722 -6.659 -16.206 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.001 -8.432 -14.098 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.897 -7.673 -15.399 1.00 0.00 H new ATOM 0 HG LEU A 62 6.273 -6.167 -13.327 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.438 -5.527 -12.349 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.169 -7.284 -12.274 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.269 -6.604 -13.497 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.497 -4.197 -14.185 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.277 -5.226 -15.409 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.517 -4.969 -15.453 1.00 0.00 H new ATOM 1019 N LYS A 63 5.301 -9.899 -16.262 1.00 0.00 N ATOM 1020 CA LYS A 63 5.209 -11.027 -17.185 1.00 0.00 C ATOM 1021 C LYS A 63 4.054 -10.827 -18.161 1.00 0.00 C ATOM 1022 O LYS A 63 3.990 -11.469 -19.209 1.00 0.00 O ATOM 1023 CB LYS A 63 5.057 -12.352 -16.429 1.00 0.00 C ATOM 1024 CG LYS A 63 6.388 -12.937 -15.989 1.00 0.00 C ATOM 1025 CD LYS A 63 6.224 -14.207 -15.169 1.00 0.00 C ATOM 1026 CE LYS A 63 5.625 -13.914 -13.805 1.00 0.00 C ATOM 1027 NZ LYS A 63 5.721 -15.081 -12.893 1.00 0.00 N ATOM 0 H LYS A 63 4.939 -10.085 -15.327 1.00 0.00 H new ATOM 0 HA LYS A 63 6.138 -11.073 -17.753 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.428 -12.195 -15.553 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.542 -13.071 -17.066 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.995 -13.152 -16.868 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.930 -12.196 -15.401 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.585 -14.908 -15.706 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.193 -14.690 -15.046 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.138 -13.062 -13.359 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.579 -13.630 -13.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.813 -14.748 -11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.864 -15.663 -12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.554 -15.651 -13.145 1.00 0.00 H new ATOM 1041 N GLY A 64 3.156 -9.919 -17.816 1.00 0.00 N ATOM 1042 CA GLY A 64 2.071 -9.565 -18.703 1.00 0.00 C ATOM 1043 C GLY A 64 2.358 -8.274 -19.444 1.00 0.00 C ATOM 1044 O GLY A 64 1.441 -7.581 -19.890 1.00 0.00 O ATOM 0 H GLY A 64 3.161 -9.417 -16.928 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.909 -10.369 -19.421 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.150 -9.460 -18.129 1.00 0.00 H new ATOM 1048 N MET A 65 3.637 -7.944 -19.564 1.00 0.00 N ATOM 1049 CA MET A 65 4.056 -6.735 -20.256 1.00 0.00 C ATOM 1050 C MET A 65 4.906 -7.068 -21.469 1.00 0.00 C ATOM 1051 O MET A 65 5.464 -8.163 -21.579 1.00 0.00 O ATOM 1052 CB MET A 65 4.851 -5.815 -19.325 1.00 0.00 C ATOM 1053 CG MET A 65 4.008 -5.106 -18.281 1.00 0.00 C ATOM 1054 SD MET A 65 4.991 -4.050 -17.201 1.00 0.00 S ATOM 1055 CE MET A 65 3.716 -3.404 -16.120 1.00 0.00 C ATOM 0 H MET A 65 4.405 -8.501 -19.189 1.00 0.00 H new ATOM 0 HA MET A 65 3.152 -6.221 -20.581 1.00 0.00 H new ATOM 0 HB2 MET A 65 5.617 -6.403 -18.819 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.368 -5.068 -19.926 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.249 -4.504 -18.780 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.482 -5.847 -17.679 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.149 -3.164 -15.149 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.289 -2.503 -16.559 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.933 -4.152 -15.993 1.00 0.00 H new ATOM 1065 N ASN A 66 4.999 -6.104 -22.369 1.00 0.00 N ATOM 1066 CA ASN A 66 5.828 -6.217 -23.560 1.00 0.00 C ATOM 1067 C ASN A 66 7.306 -6.078 -23.186 1.00 0.00 C ATOM 1068 O ASN A 66 7.641 -5.439 -22.184 1.00 0.00 O ATOM 1069 CB ASN A 66 5.414 -5.127 -24.559 1.00 0.00 C ATOM 1070 CG ASN A 66 6.234 -5.119 -25.836 1.00 0.00 C ATOM 1071 OD1 ASN A 66 6.717 -6.153 -26.296 1.00 0.00 O ATOM 1072 ND2 ASN A 66 6.398 -3.940 -26.412 1.00 0.00 N ATOM 0 H ASN A 66 4.500 -5.217 -22.295 1.00 0.00 H new ATOM 0 HA ASN A 66 5.687 -7.196 -24.019 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.363 -5.263 -24.815 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.502 -4.154 -24.077 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.942 -3.863 -27.271 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.980 -3.107 -25.997 1.00 0.00 H new ATOM 1079 N LYS A 67 8.180 -6.690 -23.982 1.00 0.00 N ATOM 1080 CA LYS A 67 9.626 -6.603 -23.770 1.00 0.00 C ATOM 1081 C LYS A 67 10.083 -5.155 -23.655 1.00 0.00 C ATOM 1082 O LYS A 67 10.821 -4.803 -22.736 1.00 0.00 O ATOM 1083 CB LYS A 67 10.379 -7.284 -24.915 1.00 0.00 C ATOM 1084 CG LYS A 67 10.261 -8.796 -24.908 1.00 0.00 C ATOM 1085 CD LYS A 67 10.897 -9.414 -26.144 1.00 0.00 C ATOM 1086 CE LYS A 67 10.209 -8.955 -27.421 1.00 0.00 C ATOM 1087 NZ LYS A 67 10.840 -9.541 -28.633 1.00 0.00 N ATOM 0 H LYS A 67 7.911 -7.256 -24.786 1.00 0.00 H new ATOM 0 HA LYS A 67 9.850 -7.114 -22.834 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.001 -6.903 -25.864 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.433 -7.010 -24.859 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.740 -9.195 -24.014 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.210 -9.079 -24.859 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.953 -9.145 -26.183 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.847 -10.501 -26.074 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.157 -9.237 -27.388 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.246 -7.867 -27.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.342 -9.203 -29.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.838 -9.252 -28.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.782 -10.578 -28.587 1.00 0.00 H new ATOM 1101 N ALA A 68 9.615 -4.320 -24.580 1.00 0.00 N ATOM 1102 CA ALA A 68 10.008 -2.914 -24.632 1.00 0.00 C ATOM 1103 C ALA A 68 9.684 -2.188 -23.332 1.00 0.00 C ATOM 1104 O ALA A 68 10.372 -1.240 -22.960 1.00 0.00 O ATOM 1105 CB ALA A 68 9.333 -2.220 -25.804 1.00 0.00 C ATOM 0 H ALA A 68 8.958 -4.596 -25.309 1.00 0.00 H new ATOM 0 HA ALA A 68 11.089 -2.880 -24.769 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.635 -1.173 -25.830 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.628 -2.706 -26.734 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.251 -2.282 -25.690 1.00 0.00 H new ATOM 1111 N GLU A 69 8.645 -2.642 -22.640 1.00 0.00 N ATOM 1112 CA GLU A 69 8.256 -2.036 -21.376 1.00 0.00 C ATOM 1113 C GLU A 69 9.336 -2.268 -20.330 1.00 0.00 C ATOM 1114 O GLU A 69 9.717 -1.352 -19.609 1.00 0.00 O ATOM 1115 CB GLU A 69 6.918 -2.598 -20.890 1.00 0.00 C ATOM 1116 CG GLU A 69 5.796 -2.445 -21.903 1.00 0.00 C ATOM 1117 CD GLU A 69 5.682 -1.035 -22.438 1.00 0.00 C ATOM 1118 OE1 GLU A 69 5.227 -0.144 -21.695 1.00 0.00 O ATOM 1119 OE2 GLU A 69 6.054 -0.812 -23.606 1.00 0.00 O ATOM 0 H GLU A 69 8.060 -3.425 -22.933 1.00 0.00 H new ATOM 0 HA GLU A 69 8.138 -0.964 -21.532 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.041 -3.655 -20.652 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.635 -2.094 -19.966 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.965 -3.132 -22.733 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.852 -2.731 -21.439 1.00 0.00 H new ATOM 1126 N HIS A 70 9.846 -3.495 -20.271 1.00 0.00 N ATOM 1127 CA HIS A 70 10.939 -3.827 -19.362 1.00 0.00 C ATOM 1128 C HIS A 70 12.138 -2.937 -19.635 1.00 0.00 C ATOM 1129 O HIS A 70 12.775 -2.430 -18.714 1.00 0.00 O ATOM 1130 CB HIS A 70 11.348 -5.298 -19.513 1.00 0.00 C ATOM 1131 CG HIS A 70 10.339 -6.254 -18.974 1.00 0.00 C ATOM 1132 ND1 HIS A 70 10.418 -6.791 -17.709 1.00 0.00 N ATOM 1133 CD2 HIS A 70 9.219 -6.770 -19.533 1.00 0.00 C ATOM 1134 CE1 HIS A 70 9.396 -7.597 -17.515 1.00 0.00 C ATOM 1135 NE2 HIS A 70 8.651 -7.602 -18.602 1.00 0.00 N ATOM 0 H HIS A 70 9.520 -4.275 -20.841 1.00 0.00 H new ATOM 0 HA HIS A 70 10.591 -3.663 -18.342 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.514 -5.514 -20.568 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.297 -5.457 -19.002 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.844 -6.565 -20.525 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.200 -8.161 -16.615 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.792 -8.137 -18.730 1.00 0.00 H new ATOM 1144 N GLU A 71 12.419 -2.748 -20.912 1.00 0.00 N ATOM 1145 CA GLU A 71 13.553 -1.953 -21.343 1.00 0.00 C ATOM 1146 C GLU A 71 13.391 -0.499 -20.901 1.00 0.00 C ATOM 1147 O GLU A 71 14.317 0.097 -20.350 1.00 0.00 O ATOM 1148 CB GLU A 71 13.690 -2.035 -22.865 1.00 0.00 C ATOM 1149 CG GLU A 71 13.554 -3.451 -23.414 1.00 0.00 C ATOM 1150 CD GLU A 71 14.551 -4.422 -22.817 1.00 0.00 C ATOM 1151 OE1 GLU A 71 14.269 -4.988 -21.736 1.00 0.00 O ATOM 1152 OE2 GLU A 71 15.609 -4.644 -23.443 1.00 0.00 O ATOM 0 H GLU A 71 11.869 -3.140 -21.676 1.00 0.00 H new ATOM 0 HA GLU A 71 14.457 -2.349 -20.881 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.931 -1.402 -23.325 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.660 -1.633 -23.156 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.544 -3.813 -23.221 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.683 -3.428 -24.496 1.00 0.00 H new ATOM 1159 N SER A 72 12.202 0.058 -21.115 1.00 0.00 N ATOM 1160 CA SER A 72 11.940 1.451 -20.781 1.00 0.00 C ATOM 1161 C SER A 72 11.840 1.660 -19.265 1.00 0.00 C ATOM 1162 O SER A 72 12.285 2.687 -18.748 1.00 0.00 O ATOM 1163 CB SER A 72 10.667 1.934 -21.485 1.00 0.00 C ATOM 1164 OG SER A 72 9.605 1.010 -21.318 1.00 0.00 O ATOM 0 H SER A 72 11.406 -0.436 -21.518 1.00 0.00 H new ATOM 0 HA SER A 72 12.783 2.046 -21.134 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.374 2.905 -21.085 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.867 2.074 -22.547 1.00 0.00 H new ATOM 0 HG SER A 72 9.831 0.377 -20.605 1.00 0.00 H new ATOM 1170 N ILE A 73 11.272 0.686 -18.555 1.00 0.00 N ATOM 1171 CA ILE A 73 11.180 0.751 -17.097 1.00 0.00 C ATOM 1172 C ILE A 73 12.561 0.923 -16.477 1.00 0.00 C ATOM 1173 O ILE A 73 12.818 1.883 -15.747 1.00 0.00 O ATOM 1174 CB ILE A 73 10.513 -0.513 -16.501 1.00 0.00 C ATOM 1175 CG1 ILE A 73 9.028 -0.565 -16.868 1.00 0.00 C ATOM 1176 CG2 ILE A 73 10.687 -0.555 -14.988 1.00 0.00 C ATOM 1177 CD1 ILE A 73 8.342 -1.850 -16.449 1.00 0.00 C ATOM 0 H ILE A 73 10.869 -0.157 -18.965 1.00 0.00 H new ATOM 0 HA ILE A 73 10.558 1.614 -16.860 1.00 0.00 H new ATOM 0 HB ILE A 73 11.005 -1.387 -16.928 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.518 0.278 -16.402 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.925 -0.443 -17.946 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.210 -1.452 -14.592 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.749 -0.571 -14.744 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.226 0.327 -14.544 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.293 -1.815 -16.742 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.826 -2.696 -16.936 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.413 -1.964 -15.367 1.00 0.00 H new ATOM 1189 N ILE A 74 13.466 0.011 -16.795 1.00 0.00 N ATOM 1190 CA ILE A 74 14.781 0.029 -16.183 1.00 0.00 C ATOM 1191 C ILE A 74 15.653 1.116 -16.816 1.00 0.00 C ATOM 1192 O ILE A 74 16.652 1.547 -16.236 1.00 0.00 O ATOM 1193 CB ILE A 74 15.477 -1.343 -16.264 1.00 0.00 C ATOM 1194 CG1 ILE A 74 14.447 -2.472 -16.166 1.00 0.00 C ATOM 1195 CG2 ILE A 74 16.472 -1.468 -15.127 1.00 0.00 C ATOM 1196 CD1 ILE A 74 15.047 -3.863 -16.220 1.00 0.00 C ATOM 0 H ILE A 74 13.315 -0.742 -17.466 1.00 0.00 H new ATOM 0 HA ILE A 74 14.644 0.258 -15.126 1.00 0.00 H new ATOM 0 HB ILE A 74 15.994 -1.421 -17.221 1.00 0.00 H new ATOM 0 HG12 ILE A 74 13.892 -2.363 -15.234 1.00 0.00 H new ATOM 0 HG13 ILE A 74 13.729 -2.366 -16.979 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.966 -2.438 -15.181 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.217 -0.676 -15.207 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.949 -1.380 -14.175 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.252 -4.605 -16.145 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.578 -3.994 -17.163 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.743 -3.991 -15.391 1.00 0.00 H new ATOM 1208 N SER A 75 15.258 1.570 -18.003 1.00 0.00 N ATOM 1209 CA SER A 75 15.878 2.740 -18.614 1.00 0.00 C ATOM 1210 C SER A 75 15.595 3.973 -17.755 1.00 0.00 C ATOM 1211 O SER A 75 16.461 4.831 -17.572 1.00 0.00 O ATOM 1212 CB SER A 75 15.357 2.950 -20.041 1.00 0.00 C ATOM 1213 OG SER A 75 15.883 4.138 -20.616 1.00 0.00 O ATOM 0 H SER A 75 14.514 1.147 -18.558 1.00 0.00 H new ATOM 0 HA SER A 75 16.955 2.580 -18.671 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.629 2.094 -20.659 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.268 3.001 -20.028 1.00 0.00 H new ATOM 0 HG SER A 75 15.534 4.243 -21.526 1.00 0.00 H new ATOM 1219 N ASN A 76 14.381 4.036 -17.207 1.00 0.00 N ATOM 1220 CA ASN A 76 14.006 5.105 -16.287 1.00 0.00 C ATOM 1221 C ASN A 76 14.814 5.003 -15.002 1.00 0.00 C ATOM 1222 O ASN A 76 15.170 6.018 -14.399 1.00 0.00 O ATOM 1223 CB ASN A 76 12.506 5.058 -15.969 1.00 0.00 C ATOM 1224 CG ASN A 76 11.668 5.817 -16.981 1.00 0.00 C ATOM 1225 OD1 ASN A 76 11.378 6.999 -16.798 1.00 0.00 O ATOM 1226 ND2 ASN A 76 11.274 5.149 -18.054 1.00 0.00 N ATOM 0 H ASN A 76 13.641 3.357 -17.386 1.00 0.00 H new ATOM 0 HA ASN A 76 14.224 6.057 -16.771 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.178 4.019 -15.938 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.336 5.476 -14.977 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.709 5.614 -18.765 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.535 4.170 -18.169 1.00 0.00 H new ATOM 1233 N LEU A 77 15.103 3.770 -14.588 1.00 0.00 N ATOM 1234 CA LEU A 77 15.967 3.529 -13.432 1.00 0.00 C ATOM 1235 C LEU A 77 17.342 4.147 -13.654 1.00 0.00 C ATOM 1236 O LEU A 77 17.976 4.641 -12.723 1.00 0.00 O ATOM 1237 CB LEU A 77 16.121 2.028 -13.172 1.00 0.00 C ATOM 1238 CG LEU A 77 17.008 1.664 -11.978 1.00 0.00 C ATOM 1239 CD1 LEU A 77 16.382 2.149 -10.678 1.00 0.00 C ATOM 1240 CD2 LEU A 77 17.254 0.163 -11.935 1.00 0.00 C ATOM 0 H LEU A 77 14.752 2.923 -15.035 1.00 0.00 H new ATOM 0 HA LEU A 77 15.500 3.994 -12.564 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.132 1.599 -13.014 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.532 1.560 -14.067 1.00 0.00 H new ATOM 0 HG LEU A 77 17.970 2.163 -12.097 1.00 0.00 H new ATOM 0 HD11 LEU A 77 17.027 1.881 -9.841 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.264 3.232 -10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.406 1.682 -10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.886 -0.078 -11.080 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.302 -0.359 -11.841 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.750 -0.151 -12.853 1.00 0.00 H new ATOM 1252 N GLY A 78 17.791 4.119 -14.899 1.00 0.00 N ATOM 1253 CA GLY A 78 19.089 4.661 -15.230 1.00 0.00 C ATOM 1254 C GLY A 78 20.072 3.580 -15.624 1.00 0.00 C ATOM 1255 O GLY A 78 21.280 3.813 -15.665 1.00 0.00 O ATOM 0 H GLY A 78 17.276 3.729 -15.688 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.986 5.373 -16.049 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.480 5.212 -14.375 1.00 0.00 H new ATOM 1259 N ARG A 79 19.553 2.392 -15.902 1.00 0.00 N ATOM 1260 CA ARG A 79 20.383 1.284 -16.342 1.00 0.00 C ATOM 1261 C ARG A 79 19.621 0.418 -17.337 1.00 0.00 C ATOM 1262 O ARG A 79 18.875 -0.482 -16.956 1.00 0.00 O ATOM 1263 CB ARG A 79 20.857 0.451 -15.148 1.00 0.00 C ATOM 1264 CG ARG A 79 21.763 -0.708 -15.531 1.00 0.00 C ATOM 1265 CD ARG A 79 22.364 -1.374 -14.307 1.00 0.00 C ATOM 1266 NE ARG A 79 23.251 -2.479 -14.672 1.00 0.00 N ATOM 1267 CZ ARG A 79 23.396 -3.591 -13.957 1.00 0.00 C ATOM 1268 NH1 ARG A 79 22.762 -3.735 -12.799 1.00 0.00 N ATOM 1269 NH2 ARG A 79 24.197 -4.551 -14.397 1.00 0.00 N ATOM 0 H ARG A 79 18.559 2.173 -15.830 1.00 0.00 H new ATOM 0 HA ARG A 79 21.265 1.689 -16.839 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.388 1.100 -14.451 1.00 0.00 H new ATOM 0 HB3 ARG A 79 19.987 0.061 -14.620 1.00 0.00 H new ATOM 0 HG2 ARG A 79 21.195 -1.441 -16.103 1.00 0.00 H new ATOM 0 HG3 ARG A 79 22.562 -0.348 -16.179 1.00 0.00 H new ATOM 0 HD2 ARG A 79 22.920 -0.637 -13.728 1.00 0.00 H new ATOM 0 HD3 ARG A 79 21.565 -1.746 -13.666 1.00 0.00 H new ATOM 0 HE ARG A 79 23.794 -2.391 -15.531 1.00 0.00 H new ATOM 0 HH11 ARG A 79 22.158 -2.990 -12.452 1.00 0.00 H new ATOM 0 HH12 ARG A 79 22.879 -4.591 -12.257 1.00 0.00 H new ATOM 0 HH21 ARG A 79 24.697 -4.434 -15.278 1.00 0.00 H new ATOM 0 HH22 ARG A 79 24.313 -5.407 -13.854 1.00 0.00 H new ATOM 1283 N ASN A 80 19.797 0.728 -18.615 1.00 0.00 N ATOM 1284 CA ASN A 80 19.178 -0.030 -19.700 1.00 0.00 C ATOM 1285 C ASN A 80 19.620 -1.485 -19.626 1.00 0.00 C ATOM 1286 O ASN A 80 20.805 -1.745 -19.420 1.00 0.00 O ATOM 1287 CB ASN A 80 19.589 0.590 -21.044 1.00 0.00 C ATOM 1288 CG ASN A 80 18.953 -0.074 -22.253 1.00 0.00 C ATOM 1289 OD1 ASN A 80 17.806 -0.512 -22.213 1.00 0.00 O ATOM 1290 ND2 ASN A 80 19.704 -0.157 -23.340 1.00 0.00 N ATOM 0 H ASN A 80 20.371 1.510 -18.930 1.00 0.00 H new ATOM 0 HA ASN A 80 18.093 0.007 -19.607 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.322 1.647 -21.041 1.00 0.00 H new ATOM 0 HB3 ASN A 80 20.673 0.535 -21.141 1.00 0.00 H new ATOM 0 HD21 ASN A 80 19.334 -0.596 -24.183 1.00 0.00 H new ATOM 0 HD22 ASN A 80 20.652 0.219 -23.335 1.00 0.00 H new ATOM 1297 N PRO A 81 18.659 -2.435 -19.727 1.00 0.00 N ATOM 1298 CA PRO A 81 18.925 -3.882 -19.686 1.00 0.00 C ATOM 1299 C PRO A 81 20.114 -4.309 -20.544 1.00 0.00 C ATOM 1300 O PRO A 81 19.964 -4.701 -21.706 1.00 0.00 O ATOM 1301 CB PRO A 81 17.631 -4.492 -20.221 1.00 0.00 C ATOM 1302 CG PRO A 81 16.575 -3.525 -19.825 1.00 0.00 C ATOM 1303 CD PRO A 81 17.212 -2.160 -19.861 1.00 0.00 C ATOM 0 HA PRO A 81 19.192 -4.207 -18.680 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.669 -4.618 -21.303 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.449 -5.477 -19.792 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.727 -3.576 -20.507 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.196 -3.750 -18.828 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.989 -1.640 -20.793 1.00 0.00 H new ATOM 0 HD3 PRO A 81 16.849 -1.529 -19.050 1.00 0.00 H new ATOM 1311 N SER A 82 21.292 -4.198 -19.958 1.00 0.00 N ATOM 1312 CA SER A 82 22.532 -4.583 -20.607 1.00 0.00 C ATOM 1313 C SER A 82 22.723 -6.095 -20.563 1.00 0.00 C ATOM 1314 O SER A 82 22.972 -6.662 -19.498 1.00 0.00 O ATOM 1315 CB SER A 82 23.710 -3.876 -19.929 1.00 0.00 C ATOM 1316 OG SER A 82 24.947 -4.220 -20.533 1.00 0.00 O ATOM 0 H SER A 82 21.416 -3.836 -19.013 1.00 0.00 H new ATOM 0 HA SER A 82 22.487 -4.281 -21.653 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.566 -2.797 -19.983 1.00 0.00 H new ATOM 0 HB3 SER A 82 23.735 -4.142 -18.872 1.00 0.00 H new ATOM 0 HG SER A 82 25.676 -3.750 -20.077 1.00 0.00 H new ATOM 1322 N ASP A 83 22.578 -6.726 -21.725 1.00 0.00 N ATOM 1323 CA ASP A 83 22.813 -8.161 -21.896 1.00 0.00 C ATOM 1324 C ASP A 83 22.046 -8.985 -20.868 1.00 0.00 C ATOM 1325 O ASP A 83 22.630 -9.667 -20.025 1.00 0.00 O ATOM 1326 CB ASP A 83 24.312 -8.487 -21.839 1.00 0.00 C ATOM 1327 CG ASP A 83 24.613 -9.943 -22.166 1.00 0.00 C ATOM 1328 OD1 ASP A 83 24.406 -10.355 -23.329 1.00 0.00 O ATOM 1329 OD2 ASP A 83 25.075 -10.680 -21.267 1.00 0.00 O ATOM 0 H ASP A 83 22.292 -6.254 -22.583 1.00 0.00 H new ATOM 0 HA ASP A 83 22.440 -8.432 -22.884 1.00 0.00 H new ATOM 0 HB2 ASP A 83 24.846 -7.844 -22.539 1.00 0.00 H new ATOM 0 HB3 ASP A 83 24.691 -8.257 -20.843 1.00 0.00 H new ATOM 1334 N PHE A 84 20.732 -8.884 -20.916 1.00 0.00 N ATOM 1335 CA PHE A 84 19.879 -9.739 -20.120 1.00 0.00 C ATOM 1336 C PHE A 84 19.033 -10.590 -21.047 1.00 0.00 C ATOM 1337 O PHE A 84 18.126 -10.087 -21.704 1.00 0.00 O ATOM 1338 CB PHE A 84 18.988 -8.926 -19.175 1.00 0.00 C ATOM 1339 CG PHE A 84 19.748 -8.173 -18.116 1.00 0.00 C ATOM 1340 CD1 PHE A 84 20.708 -8.815 -17.352 1.00 0.00 C ATOM 1341 CD2 PHE A 84 19.495 -6.831 -17.875 1.00 0.00 C ATOM 1342 CE1 PHE A 84 21.405 -8.136 -16.374 1.00 0.00 C ATOM 1343 CE2 PHE A 84 20.191 -6.145 -16.895 1.00 0.00 C ATOM 1344 CZ PHE A 84 21.149 -6.799 -16.145 1.00 0.00 C ATOM 0 H PHE A 84 20.232 -8.215 -21.501 1.00 0.00 H new ATOM 0 HA PHE A 84 20.506 -10.378 -19.498 1.00 0.00 H new ATOM 0 HB2 PHE A 84 18.404 -8.217 -19.762 1.00 0.00 H new ATOM 0 HB3 PHE A 84 18.280 -9.599 -18.691 1.00 0.00 H new ATOM 0 HD1 PHE A 84 20.914 -9.861 -17.524 1.00 0.00 H new ATOM 0 HD2 PHE A 84 18.747 -6.315 -18.459 1.00 0.00 H new ATOM 0 HE1 PHE A 84 22.151 -8.651 -15.787 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.985 -5.100 -16.717 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.696 -6.266 -15.382 1.00 0.00 H new ATOM 1354 N LYS A 85 19.343 -11.867 -21.113 1.00 0.00 N ATOM 1355 CA LYS A 85 18.676 -12.762 -22.040 1.00 0.00 C ATOM 1356 C LYS A 85 17.596 -13.553 -21.322 1.00 0.00 C ATOM 1357 O LYS A 85 16.562 -13.885 -21.900 1.00 0.00 O ATOM 1358 CB LYS A 85 19.696 -13.703 -22.685 1.00 0.00 C ATOM 1359 CG LYS A 85 19.116 -14.606 -23.760 1.00 0.00 C ATOM 1360 CD LYS A 85 18.446 -13.804 -24.864 1.00 0.00 C ATOM 1361 CE LYS A 85 18.110 -14.676 -26.061 1.00 0.00 C ATOM 1362 NZ LYS A 85 19.334 -15.232 -26.696 1.00 0.00 N ATOM 0 H LYS A 85 20.055 -12.312 -20.534 1.00 0.00 H new ATOM 0 HA LYS A 85 18.204 -12.172 -22.825 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.499 -13.108 -23.120 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.144 -14.323 -21.908 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.909 -15.221 -24.186 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.391 -15.286 -23.312 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.535 -13.345 -24.480 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.104 -12.993 -25.177 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.460 -15.493 -25.746 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.554 -14.091 -26.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.121 -15.510 -27.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.083 -14.511 -26.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.655 -16.064 -26.162 1.00 0.00 H new ATOM 1376 N ASN A 86 17.843 -13.840 -20.055 1.00 0.00 N ATOM 1377 CA ASN A 86 16.884 -14.559 -19.234 1.00 0.00 C ATOM 1378 C ASN A 86 15.700 -13.656 -18.904 1.00 0.00 C ATOM 1379 O ASN A 86 15.875 -12.560 -18.369 1.00 0.00 O ATOM 1380 CB ASN A 86 17.560 -15.057 -17.954 1.00 0.00 C ATOM 1381 CG ASN A 86 16.610 -15.787 -17.021 1.00 0.00 C ATOM 1382 OD1 ASN A 86 15.625 -16.387 -17.449 1.00 0.00 O ATOM 1383 ND2 ASN A 86 16.912 -15.751 -15.736 1.00 0.00 N ATOM 0 H ASN A 86 18.704 -13.585 -19.571 1.00 0.00 H new ATOM 0 HA ASN A 86 16.515 -15.423 -19.787 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.381 -15.723 -18.220 1.00 0.00 H new ATOM 0 HB3 ASN A 86 17.996 -14.208 -17.427 1.00 0.00 H new ATOM 0 HD21 ASN A 86 16.319 -16.232 -15.059 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.738 -15.242 -15.420 1.00 0.00 H new ATOM 1390 N ALA A 87 14.502 -14.119 -19.238 1.00 0.00 N ATOM 1391 CA ALA A 87 13.285 -13.352 -19.008 1.00 0.00 C ATOM 1392 C ALA A 87 13.120 -13.026 -17.530 1.00 0.00 C ATOM 1393 O ALA A 87 12.774 -11.899 -17.166 1.00 0.00 O ATOM 1394 CB ALA A 87 12.076 -14.120 -19.521 1.00 0.00 C ATOM 0 H ALA A 87 14.347 -15.029 -19.672 1.00 0.00 H new ATOM 0 HA ALA A 87 13.363 -12.412 -19.555 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.172 -13.537 -19.344 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.187 -14.301 -20.590 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.001 -15.073 -18.997 1.00 0.00 H new ATOM 1400 N ASP A 88 13.397 -14.010 -16.686 1.00 0.00 N ATOM 1401 CA ASP A 88 13.277 -13.840 -15.244 1.00 0.00 C ATOM 1402 C ASP A 88 14.286 -12.827 -14.721 1.00 0.00 C ATOM 1403 O ASP A 88 14.051 -12.198 -13.697 1.00 0.00 O ATOM 1404 CB ASP A 88 13.469 -15.169 -14.510 1.00 0.00 C ATOM 1405 CG ASP A 88 12.320 -16.135 -14.713 1.00 0.00 C ATOM 1406 OD1 ASP A 88 11.294 -16.009 -14.003 1.00 0.00 O ATOM 1407 OD2 ASP A 88 12.444 -17.035 -15.569 1.00 0.00 O ATOM 0 H ASP A 88 13.707 -14.937 -16.976 1.00 0.00 H new ATOM 0 HA ASP A 88 12.270 -13.470 -15.051 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.392 -15.636 -14.853 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.587 -14.974 -13.444 1.00 0.00 H new ATOM 1412 N GLU A 89 15.399 -12.662 -15.430 1.00 0.00 N ATOM 1413 CA GLU A 89 16.457 -11.755 -14.994 1.00 0.00 C ATOM 1414 C GLU A 89 15.980 -10.307 -15.055 1.00 0.00 C ATOM 1415 O GLU A 89 16.220 -9.527 -14.133 1.00 0.00 O ATOM 1416 CB GLU A 89 17.712 -11.938 -15.854 1.00 0.00 C ATOM 1417 CG GLU A 89 18.909 -11.119 -15.390 1.00 0.00 C ATOM 1418 CD GLU A 89 19.350 -11.454 -13.978 1.00 0.00 C ATOM 1419 OE1 GLU A 89 19.410 -12.652 -13.639 1.00 0.00 O ATOM 1420 OE2 GLU A 89 19.659 -10.520 -13.206 1.00 0.00 O ATOM 0 H GLU A 89 15.592 -13.144 -16.308 1.00 0.00 H new ATOM 0 HA GLU A 89 16.708 -11.994 -13.961 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.986 -12.993 -15.857 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.477 -11.667 -16.883 1.00 0.00 H new ATOM 0 HG2 GLU A 89 19.742 -11.285 -16.073 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.659 -10.059 -15.444 1.00 0.00 H new ATOM 1427 N ARG A 90 15.280 -9.958 -16.132 1.00 0.00 N ATOM 1428 CA ARG A 90 14.751 -8.604 -16.286 1.00 0.00 C ATOM 1429 C ARG A 90 13.761 -8.307 -15.167 1.00 0.00 C ATOM 1430 O ARG A 90 13.774 -7.232 -14.569 1.00 0.00 O ATOM 1431 CB ARG A 90 14.043 -8.426 -17.632 1.00 0.00 C ATOM 1432 CG ARG A 90 14.864 -8.839 -18.841 1.00 0.00 C ATOM 1433 CD ARG A 90 14.171 -8.437 -20.139 1.00 0.00 C ATOM 1434 NE ARG A 90 14.725 -9.133 -21.298 1.00 0.00 N ATOM 1435 CZ ARG A 90 15.441 -8.547 -22.257 1.00 0.00 C ATOM 1436 NH1 ARG A 90 15.640 -7.237 -22.245 1.00 0.00 N ATOM 1437 NH2 ARG A 90 15.927 -9.276 -23.250 1.00 0.00 N ATOM 0 H ARG A 90 15.067 -10.588 -16.905 1.00 0.00 H new ATOM 0 HA ARG A 90 15.593 -7.914 -16.242 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.120 -9.006 -17.621 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.760 -7.379 -17.743 1.00 0.00 H new ATOM 0 HG2 ARG A 90 15.849 -8.374 -18.792 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.020 -9.918 -18.827 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.105 -8.653 -20.062 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.268 -7.361 -20.283 1.00 0.00 H new ATOM 0 HE ARG A 90 14.552 -10.135 -21.379 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.244 -6.668 -21.497 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.190 -6.798 -22.984 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.753 -10.281 -23.278 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.476 -8.833 -23.987 1.00 0.00 H new ATOM 1451 N ILE A 91 12.908 -9.284 -14.891 1.00 0.00 N ATOM 1452 CA ILE A 91 11.898 -9.156 -13.852 1.00 0.00 C ATOM 1453 C ILE A 91 12.558 -9.098 -12.480 1.00 0.00 C ATOM 1454 O ILE A 91 12.193 -8.283 -11.636 1.00 0.00 O ATOM 1455 CB ILE A 91 10.911 -10.339 -13.895 1.00 0.00 C ATOM 1456 CG1 ILE A 91 10.368 -10.523 -15.314 1.00 0.00 C ATOM 1457 CG2 ILE A 91 9.767 -10.114 -12.915 1.00 0.00 C ATOM 1458 CD1 ILE A 91 9.566 -11.792 -15.493 1.00 0.00 C ATOM 0 H ILE A 91 12.897 -10.181 -15.377 1.00 0.00 H new ATOM 0 HA ILE A 91 11.348 -8.232 -14.031 1.00 0.00 H new ATOM 0 HB ILE A 91 11.442 -11.245 -13.603 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.742 -9.668 -15.569 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.202 -10.528 -16.016 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.079 -10.959 -12.958 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.166 -10.022 -11.905 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.236 -9.200 -13.180 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.213 -11.857 -16.522 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.195 -12.654 -15.270 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.712 -11.781 -14.816 1.00 0.00 H new ATOM 1470 N ALA A 92 13.555 -9.951 -12.285 1.00 0.00 N ATOM 1471 CA ALA A 92 14.264 -10.034 -11.019 1.00 0.00 C ATOM 1472 C ALA A 92 15.019 -8.747 -10.724 1.00 0.00 C ATOM 1473 O ALA A 92 15.132 -8.355 -9.573 1.00 0.00 O ATOM 1474 CB ALA A 92 15.220 -11.217 -11.013 1.00 0.00 C ATOM 0 H ALA A 92 13.892 -10.600 -12.996 1.00 0.00 H new ATOM 0 HA ALA A 92 13.522 -10.180 -10.234 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.740 -11.260 -10.056 1.00 0.00 H new ATOM 0 HB2 ALA A 92 14.659 -12.139 -11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 92 15.948 -11.101 -11.816 1.00 0.00 H new ATOM 1480 N TYR A 93 15.536 -8.089 -11.757 1.00 0.00 N ATOM 1481 CA TYR A 93 16.244 -6.832 -11.557 1.00 0.00 C ATOM 1482 C TYR A 93 15.269 -5.741 -11.125 1.00 0.00 C ATOM 1483 O TYR A 93 15.586 -4.914 -10.268 1.00 0.00 O ATOM 1484 CB TYR A 93 16.994 -6.402 -12.822 1.00 0.00 C ATOM 1485 CG TYR A 93 17.960 -5.265 -12.569 1.00 0.00 C ATOM 1486 CD1 TYR A 93 19.006 -5.420 -11.671 1.00 0.00 C ATOM 1487 CD2 TYR A 93 17.822 -4.039 -13.208 1.00 0.00 C ATOM 1488 CE1 TYR A 93 19.888 -4.392 -11.418 1.00 0.00 C ATOM 1489 CE2 TYR A 93 18.704 -3.003 -12.958 1.00 0.00 C ATOM 1490 CZ TYR A 93 19.735 -3.187 -12.061 1.00 0.00 C ATOM 1491 OH TYR A 93 20.624 -2.167 -11.809 1.00 0.00 O ATOM 0 H TYR A 93 15.479 -8.400 -12.727 1.00 0.00 H new ATOM 0 HA TYR A 93 16.981 -6.986 -10.769 1.00 0.00 H new ATOM 0 HB2 TYR A 93 17.541 -7.255 -13.223 1.00 0.00 H new ATOM 0 HB3 TYR A 93 16.273 -6.099 -13.582 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.131 -6.364 -11.161 1.00 0.00 H new ATOM 0 HD2 TYR A 93 17.014 -3.893 -13.910 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.697 -4.533 -10.717 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.586 -2.055 -13.463 1.00 0.00 H new ATOM 0 HH TYR A 93 20.960 -2.245 -10.892 1.00 0.00 H new ATOM 1501 N ILE A 94 14.080 -5.751 -11.713 1.00 0.00 N ATOM 1502 CA ILE A 94 13.038 -4.812 -11.323 1.00 0.00 C ATOM 1503 C ILE A 94 12.589 -5.094 -9.885 1.00 0.00 C ATOM 1504 O ILE A 94 12.508 -4.184 -9.062 1.00 0.00 O ATOM 1505 CB ILE A 94 11.828 -4.874 -12.288 1.00 0.00 C ATOM 1506 CG1 ILE A 94 12.275 -4.540 -13.720 1.00 0.00 C ATOM 1507 CG2 ILE A 94 10.732 -3.917 -11.831 1.00 0.00 C ATOM 1508 CD1 ILE A 94 11.173 -4.654 -14.757 1.00 0.00 C ATOM 0 H ILE A 94 13.814 -6.395 -12.458 1.00 0.00 H new ATOM 0 HA ILE A 94 13.453 -3.806 -11.378 1.00 0.00 H new ATOM 0 HB ILE A 94 11.424 -5.886 -12.278 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.672 -3.525 -13.738 1.00 0.00 H new ATOM 0 HG13 ILE A 94 13.091 -5.206 -13.999 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.889 -3.973 -12.520 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.401 -4.194 -10.830 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.121 -2.899 -11.816 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.571 -4.402 -15.740 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.791 -5.675 -14.771 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.365 -3.967 -14.506 1.00 0.00 H new ATOM 1520 N LEU A 95 12.338 -6.368 -9.584 1.00 0.00 N ATOM 1521 CA LEU A 95 11.947 -6.784 -8.237 1.00 0.00 C ATOM 1522 C LEU A 95 13.050 -6.474 -7.226 1.00 0.00 C ATOM 1523 O LEU A 95 12.780 -6.072 -6.094 1.00 0.00 O ATOM 1524 CB LEU A 95 11.634 -8.284 -8.205 1.00 0.00 C ATOM 1525 CG LEU A 95 10.422 -8.730 -9.027 1.00 0.00 C ATOM 1526 CD1 LEU A 95 10.279 -10.244 -8.973 1.00 0.00 C ATOM 1527 CD2 LEU A 95 9.154 -8.056 -8.525 1.00 0.00 C ATOM 0 H LEU A 95 12.399 -7.132 -10.257 1.00 0.00 H new ATOM 0 HA LEU A 95 11.052 -6.224 -7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.510 -8.826 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.475 -8.581 -7.168 1.00 0.00 H new ATOM 0 HG LEU A 95 10.578 -8.431 -10.063 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.414 -10.549 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.177 -10.709 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.144 -10.560 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.305 -8.387 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.989 -8.323 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.259 -6.974 -8.611 1.00 0.00 H new ATOM 1539 N LYS A 96 14.294 -6.666 -7.647 1.00 0.00 N ATOM 1540 CA LYS A 96 15.453 -6.419 -6.797 1.00 0.00 C ATOM 1541 C LYS A 96 15.513 -4.954 -6.394 1.00 0.00 C ATOM 1542 O LYS A 96 15.883 -4.619 -5.270 1.00 0.00 O ATOM 1543 CB LYS A 96 16.736 -6.806 -7.537 1.00 0.00 C ATOM 1544 CG LYS A 96 17.986 -6.787 -6.674 1.00 0.00 C ATOM 1545 CD LYS A 96 17.887 -7.785 -5.530 1.00 0.00 C ATOM 1546 CE LYS A 96 19.205 -7.921 -4.790 1.00 0.00 C ATOM 1547 NZ LYS A 96 20.272 -8.490 -5.656 1.00 0.00 N ATOM 0 H LYS A 96 14.528 -6.996 -8.583 1.00 0.00 H new ATOM 0 HA LYS A 96 15.360 -7.027 -5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.613 -7.805 -7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 96 16.877 -6.124 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 96 18.857 -7.020 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 96 18.137 -5.785 -6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 96 17.110 -7.466 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.586 -8.757 -5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 96 19.518 -6.943 -4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 96 19.067 -8.559 -3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 21.047 -8.849 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 19.881 -9.269 -6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 20.636 -7.750 -6.290 1.00 0.00 H new ATOM 1561 N GLN A 97 15.128 -4.083 -7.317 1.00 0.00 N ATOM 1562 CA GLN A 97 15.150 -2.653 -7.064 1.00 0.00 C ATOM 1563 C GLN A 97 14.030 -2.254 -6.113 1.00 0.00 C ATOM 1564 O GLN A 97 14.112 -1.227 -5.451 1.00 0.00 O ATOM 1565 CB GLN A 97 15.046 -1.874 -8.376 1.00 0.00 C ATOM 1566 CG GLN A 97 16.280 -1.038 -8.677 1.00 0.00 C ATOM 1567 CD GLN A 97 17.552 -1.862 -8.802 1.00 0.00 C ATOM 1568 OE1 GLN A 97 18.641 -1.394 -8.470 1.00 0.00 O ATOM 1569 NE2 GLN A 97 17.434 -3.083 -9.304 1.00 0.00 N ATOM 0 H GLN A 97 14.797 -4.344 -8.246 1.00 0.00 H new ATOM 0 HA GLN A 97 16.100 -2.406 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.881 -2.575 -9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.174 -1.221 -8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 97 16.120 -0.488 -9.604 1.00 0.00 H new ATOM 0 HG3 GLN A 97 16.411 -0.299 -7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.516 -3.439 -9.569 1.00 0.00 H new ATOM 0 HE22 GLN A 97 18.262 -3.667 -9.426 1.00 0.00 H new ATOM 1578 N ILE A 98 12.992 -3.080 -6.042 1.00 0.00 N ATOM 1579 CA ILE A 98 11.906 -2.865 -5.093 1.00 0.00 C ATOM 1580 C ILE A 98 12.377 -3.214 -3.686 1.00 0.00 C ATOM 1581 O ILE A 98 12.066 -2.522 -2.715 1.00 0.00 O ATOM 1582 CB ILE A 98 10.670 -3.726 -5.439 1.00 0.00 C ATOM 1583 CG1 ILE A 98 10.259 -3.513 -6.896 1.00 0.00 C ATOM 1584 CG2 ILE A 98 9.512 -3.395 -4.505 1.00 0.00 C ATOM 1585 CD1 ILE A 98 9.138 -4.421 -7.353 1.00 0.00 C ATOM 0 H ILE A 98 12.880 -3.905 -6.631 1.00 0.00 H new ATOM 0 HA ILE A 98 11.620 -1.815 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 98 10.933 -4.775 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.951 -2.476 -7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 98 11.127 -3.672 -7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.650 -4.010 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.807 -3.596 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.250 -2.342 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.902 -4.211 -8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.449 -5.461 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.255 -4.246 -6.739 1.00 0.00 H new ATOM 1597 N ASP A 99 13.142 -4.294 -3.593 1.00 0.00 N ATOM 1598 CA ASP A 99 13.678 -4.757 -2.318 1.00 0.00 C ATOM 1599 C ASP A 99 14.793 -3.825 -1.846 1.00 0.00 C ATOM 1600 O ASP A 99 15.028 -3.666 -0.651 1.00 0.00 O ATOM 1601 CB ASP A 99 14.204 -6.189 -2.468 1.00 0.00 C ATOM 1602 CG ASP A 99 14.612 -6.814 -1.148 1.00 0.00 C ATOM 1603 OD1 ASP A 99 13.717 -7.116 -0.329 1.00 0.00 O ATOM 1604 OD2 ASP A 99 15.828 -7.023 -0.929 1.00 0.00 O ATOM 0 H ASP A 99 13.407 -4.870 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 99 12.884 -4.749 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.435 -6.806 -2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 99 15.061 -6.186 -3.142 1.00 0.00 H new