USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=25 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 38 ASN : amide:sc= 1.57 K(o=2.4,f=0.4) USER MOD Set 1.2: A 40 TYR OH : rot 44:sc= 0.873 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.194 K(o=1,f=-6.8!) USER MOD Set 2.2: A 18 THR OG1 : rot -55:sc= 1.19 USER MOD Set 3.1: A 10 LYS NZ :NH3+ 172:sc= 0.966 (180deg=-0.167) USER MOD Set 3.2: A 11 THR OG1 : rot 180:sc= 0.853 USER MOD Set 4.1: A 3 THR OG1 : rot -27:sc= 1.29 USER MOD Set 4.2: A 44 THR OG1 : rot 62:sc= 1.25 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.17) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.182 USER MOD Single : A 25 GLN : amide:sc= 0.657 K(o=0.66,f=-4!) 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+ 178:sc= 0 (180deg=-0.00255) 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=-0.00358 X(o=-0.0036,f=0) USER MOD Single : A 56 ASN : amide:sc= -1.4! C(o=-1.4!,f=-2.7!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0442) USER MOD Single : A 65 MET CE :methyl 143:sc= -0.011 (180deg=-0.394) USER MOD Single : A 66 ASN : amide:sc= 1.1 K(o=1.1,f=-0.0053) USER MOD Single : A 67 LYS NZ :NH3+ -134:sc= -0.0294 (180deg=-0.28) USER MOD Single : A 70 HIS : no HD1:sc= -3.95! C(o=-3.9!,f=-2.4!) USER MOD Single : A 72 SER OG : rot 24:sc= 0.846 USER MOD Single : A 75 SER OG : rot 56:sc= 1.25 USER MOD Single : A 76 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.068) USER MOD Single : A 80 ASN : amide:sc= -0.95 X(o=-0.95,f=-0.69) USER MOD Single : A 82 SER OG : rot -24:sc= 0.45 USER MOD Single : A 85 LYS NZ :NH3+ 163:sc= -0.024 (180deg=-0.244) USER MOD Single : A 86 ASN : amide:sc= -0.113 K(o=-0.11,f=-11!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0744 USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.106 (180deg=-0.513) USER MOD Single : A 97 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.364 -1.088 3.050 1.00 0.00 N ATOM 21 CA PHE A 2 -9.626 -1.804 3.015 1.00 0.00 C ATOM 22 C PHE A 2 -10.784 -0.817 2.985 1.00 0.00 C ATOM 23 O PHE A 2 -10.825 0.134 3.769 1.00 0.00 O ATOM 24 CB PHE A 2 -9.748 -2.734 4.224 1.00 0.00 C ATOM 25 CG PHE A 2 -8.675 -3.786 4.284 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.662 -4.831 3.374 1.00 0.00 C ATOM 27 CD2 PHE A 2 -7.680 -3.726 5.245 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.679 -5.799 3.423 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.691 -4.691 5.299 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.691 -5.729 4.387 1.00 0.00 C ATOM 0 HA PHE A 2 -9.659 -2.412 2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.712 -2.138 5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.723 -3.222 4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.430 -4.889 2.617 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.676 -2.917 5.960 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.682 -6.610 2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.920 -4.633 6.053 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.920 -6.484 4.427 1.00 0.00 H new ATOM 40 N THR A 3 -11.711 -1.032 2.071 1.00 0.00 N ATOM 41 CA THR A 3 -12.859 -0.156 1.936 1.00 0.00 C ATOM 42 C THR A 3 -14.154 -0.939 2.077 1.00 0.00 C ATOM 43 O THR A 3 -14.289 -2.034 1.536 1.00 0.00 O ATOM 44 CB THR A 3 -12.846 0.586 0.584 1.00 0.00 C ATOM 45 OG1 THR A 3 -12.549 -0.328 -0.481 1.00 0.00 O ATOM 46 CG2 THR A 3 -11.825 1.713 0.593 1.00 0.00 C ATOM 0 H THR A 3 -11.691 -1.808 1.409 1.00 0.00 H new ATOM 0 HA THR A 3 -12.799 0.582 2.735 1.00 0.00 H new ATOM 0 HB THR A 3 -13.835 1.015 0.425 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.010 -1.070 -0.135 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.835 2.221 -0.371 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.075 2.424 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.832 1.303 0.777 1.00 0.00 H new ATOM 54 N ALA A 4 -15.090 -0.383 2.822 1.00 0.00 N ATOM 55 CA ALA A 4 -16.390 -0.998 3.000 1.00 0.00 C ATOM 56 C ALA A 4 -17.471 -0.067 2.480 1.00 0.00 C ATOM 57 O ALA A 4 -17.629 1.053 2.967 1.00 0.00 O ATOM 58 CB ALA A 4 -16.626 -1.339 4.462 1.00 0.00 C ATOM 0 H ALA A 4 -14.972 0.501 3.317 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.424 -1.928 2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.607 -1.800 4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.858 -2.034 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.582 -0.429 5.060 1.00 0.00 H new ATOM 64 N LYS A 5 -18.191 -0.519 1.472 1.00 0.00 N ATOM 65 CA LYS A 5 -19.234 0.280 0.872 1.00 0.00 C ATOM 66 C LYS A 5 -20.596 -0.255 1.274 1.00 0.00 C ATOM 67 O LYS A 5 -20.916 -1.424 1.038 1.00 0.00 O ATOM 68 CB LYS A 5 -19.080 0.297 -0.653 1.00 0.00 C ATOM 69 CG LYS A 5 -20.213 1.003 -1.379 1.00 0.00 C ATOM 70 CD LYS A 5 -19.829 1.367 -2.806 1.00 0.00 C ATOM 71 CE LYS A 5 -19.417 0.153 -3.620 1.00 0.00 C ATOM 72 NZ LYS A 5 -19.054 0.525 -5.013 1.00 0.00 N ATOM 0 H LYS A 5 -18.070 -1.440 1.052 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.148 1.305 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.139 0.784 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.015 -0.730 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -21.093 0.360 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.487 1.907 -0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.672 1.859 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.009 2.084 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.569 -0.336 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -20.234 -0.569 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.778 -0.328 -5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.871 0.969 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.258 1.195 -4.997 1.00 0.00 H new ATOM 86 N LEU A 6 -21.378 0.602 1.907 1.00 0.00 N ATOM 87 CA LEU A 6 -22.723 0.253 2.323 1.00 0.00 C ATOM 88 C LEU A 6 -23.575 0.036 1.079 1.00 0.00 C ATOM 89 O LEU A 6 -23.751 0.947 0.277 1.00 0.00 O ATOM 90 CB LEU A 6 -23.288 1.377 3.204 1.00 0.00 C ATOM 91 CG LEU A 6 -24.610 1.093 3.924 1.00 0.00 C ATOM 92 CD1 LEU A 6 -24.517 -0.154 4.789 1.00 0.00 C ATOM 93 CD2 LEU A 6 -25.005 2.298 4.754 1.00 0.00 C ATOM 0 H LEU A 6 -21.100 1.554 2.146 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.723 -0.666 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.539 1.628 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.424 2.261 2.581 1.00 0.00 H new ATOM 0 HG LEU A 6 -25.379 0.907 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -25.473 -0.325 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -24.274 -1.013 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -23.738 -0.019 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.946 2.095 5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.228 2.503 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -25.126 3.164 4.103 1.00 0.00 H new ATOM 105 N ILE A 7 -24.052 -1.181 0.890 1.00 0.00 N ATOM 106 CA ILE A 7 -24.781 -1.517 -0.328 1.00 0.00 C ATOM 107 C ILE A 7 -26.274 -1.650 -0.068 1.00 0.00 C ATOM 108 O ILE A 7 -27.079 -1.685 -1.000 1.00 0.00 O ATOM 109 CB ILE A 7 -24.250 -2.818 -0.967 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.334 -3.985 0.024 1.00 0.00 C ATOM 111 CG2 ILE A 7 -22.819 -2.624 -1.450 1.00 0.00 C ATOM 112 CD1 ILE A 7 -23.873 -5.307 -0.548 1.00 0.00 C ATOM 0 H ILE A 7 -23.952 -1.949 1.554 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.619 -0.694 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 7 -24.876 -3.060 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.731 -3.749 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.364 -4.087 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.458 -3.550 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.790 -1.826 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.183 -2.357 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -23.962 -6.083 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.492 -5.567 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -22.833 -5.224 -0.862 1.00 0.00 H new ATOM 124 N LYS A 8 -26.641 -1.716 1.201 1.00 0.00 N ATOM 125 CA LYS A 8 -28.033 -1.872 1.585 1.00 0.00 C ATOM 126 C LYS A 8 -28.406 -0.839 2.639 1.00 0.00 C ATOM 127 O LYS A 8 -27.937 -0.901 3.777 1.00 0.00 O ATOM 128 CB LYS A 8 -28.276 -3.299 2.095 1.00 0.00 C ATOM 129 CG LYS A 8 -28.069 -4.361 1.023 1.00 0.00 C ATOM 130 CD LYS A 8 -28.084 -5.770 1.596 1.00 0.00 C ATOM 131 CE LYS A 8 -27.756 -6.798 0.522 1.00 0.00 C ATOM 132 NZ LYS A 8 -27.626 -8.173 1.071 1.00 0.00 N ATOM 0 H LYS A 8 -25.991 -1.664 1.985 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.668 -1.707 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.605 -3.499 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.293 -3.373 2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.850 -4.270 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.118 -4.186 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.361 -5.844 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.065 -5.983 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -28.537 -6.786 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -26.826 -6.518 0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -27.640 -8.861 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -26.729 -8.256 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -28.418 -8.365 1.716 1.00 0.00 H new ATOM 146 N GLY A 9 -29.229 0.124 2.246 1.00 0.00 N ATOM 147 CA GLY A 9 -29.631 1.182 3.155 1.00 0.00 C ATOM 148 C GLY A 9 -29.534 2.554 2.517 1.00 0.00 C ATOM 149 O GLY A 9 -30.171 2.815 1.497 1.00 0.00 O ATOM 0 H GLY A 9 -29.628 0.192 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.656 1.007 3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -29.003 1.152 4.045 1.00 0.00 H new ATOM 153 N LYS A 10 -28.726 3.427 3.108 1.00 0.00 N ATOM 154 CA LYS A 10 -28.529 4.779 2.598 1.00 0.00 C ATOM 155 C LYS A 10 -27.402 5.450 3.369 1.00 0.00 C ATOM 156 O LYS A 10 -26.344 5.732 2.818 1.00 0.00 O ATOM 157 CB LYS A 10 -29.809 5.612 2.723 1.00 0.00 C ATOM 158 CG LYS A 10 -29.690 7.003 2.118 1.00 0.00 C ATOM 159 CD LYS A 10 -30.926 7.842 2.397 1.00 0.00 C ATOM 160 CE LYS A 10 -31.073 8.146 3.880 1.00 0.00 C ATOM 161 NZ LYS A 10 -29.969 9.003 4.390 1.00 0.00 N ATOM 0 H LYS A 10 -28.191 3.219 3.951 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.270 4.714 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.627 5.081 2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.071 5.704 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -28.811 7.503 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.541 6.921 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -30.867 8.776 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -31.812 7.315 2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -32.027 8.643 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -31.094 7.211 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -30.179 9.296 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -29.078 8.467 4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -29.877 9.846 3.788 1.00 0.00 H new ATOM 175 N THR A 11 -27.638 5.695 4.644 1.00 0.00 N ATOM 176 CA THR A 11 -26.621 6.240 5.522 1.00 0.00 C ATOM 177 C THR A 11 -26.623 5.475 6.841 1.00 0.00 C ATOM 178 O THR A 11 -27.600 5.526 7.592 1.00 0.00 O ATOM 179 CB THR A 11 -26.866 7.734 5.801 1.00 0.00 C ATOM 180 OG1 THR A 11 -27.241 8.406 4.589 1.00 0.00 O ATOM 181 CG2 THR A 11 -25.624 8.391 6.384 1.00 0.00 C ATOM 0 H THR A 11 -28.535 5.523 5.098 1.00 0.00 H new ATOM 0 HA THR A 11 -25.655 6.136 5.028 1.00 0.00 H new ATOM 0 HB THR A 11 -27.674 7.814 6.528 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.396 9.355 4.776 1.00 0.00 H new ATOM 0 HG21 THR A 11 -25.824 9.446 6.572 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.358 7.900 7.320 1.00 0.00 H new ATOM 0 HG23 THR A 11 -24.798 8.298 5.679 1.00 0.00 H new ATOM 189 N TYR A 12 -25.555 4.743 7.106 1.00 0.00 N ATOM 190 CA TYR A 12 -25.457 3.957 8.326 1.00 0.00 C ATOM 191 C TYR A 12 -24.103 4.161 9.003 1.00 0.00 C ATOM 192 O TYR A 12 -23.055 4.079 8.361 1.00 0.00 O ATOM 193 CB TYR A 12 -25.689 2.476 7.998 1.00 0.00 C ATOM 194 CG TYR A 12 -25.521 1.537 9.164 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.179 1.756 10.366 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.700 0.425 9.055 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.021 0.896 11.431 1.00 0.00 C ATOM 198 CE2 TYR A 12 -24.536 -0.444 10.118 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.198 -0.201 11.305 1.00 0.00 C ATOM 200 OH TYR A 12 -25.042 -1.059 12.372 1.00 0.00 O ATOM 0 H TYR A 12 -24.742 4.676 6.493 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.223 4.291 9.025 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -26.697 2.360 7.599 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.998 2.180 7.209 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -26.826 2.615 10.468 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -24.181 0.235 8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -26.540 1.081 12.360 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.894 -1.307 10.020 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.431 -1.783 12.123 1.00 0.00 H new ATOM 210 N ASN A 13 -24.138 4.443 10.300 1.00 0.00 N ATOM 211 CA ASN A 13 -22.922 4.637 11.081 1.00 0.00 C ATOM 212 C ASN A 13 -22.548 3.363 11.826 1.00 0.00 C ATOM 213 O ASN A 13 -23.357 2.802 12.567 1.00 0.00 O ATOM 214 CB ASN A 13 -23.097 5.778 12.090 1.00 0.00 C ATOM 215 CG ASN A 13 -23.152 7.147 11.440 1.00 0.00 C ATOM 216 OD1 ASN A 13 -22.569 7.367 10.385 1.00 0.00 O ATOM 217 ND2 ASN A 13 -23.845 8.082 12.072 1.00 0.00 N ATOM 0 H ASN A 13 -25.000 4.543 10.836 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.123 4.894 10.385 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.013 5.615 12.657 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -22.272 5.754 12.802 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.906 9.022 11.682 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.317 7.862 12.949 1.00 0.00 H new ATOM 224 N VAL A 14 -21.320 2.904 11.624 1.00 0.00 N ATOM 225 CA VAL A 14 -20.809 1.751 12.352 1.00 0.00 C ATOM 226 C VAL A 14 -19.693 2.190 13.292 1.00 0.00 C ATOM 227 O VAL A 14 -18.655 2.682 12.843 1.00 0.00 O ATOM 228 CB VAL A 14 -20.284 0.648 11.407 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.846 -0.579 12.193 1.00 0.00 C ATOM 230 CG2 VAL A 14 -21.336 0.271 10.378 1.00 0.00 C ATOM 0 H VAL A 14 -20.660 3.312 10.962 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.638 1.331 12.921 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.416 1.045 10.881 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.481 -1.341 11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -19.050 -0.303 12.885 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.693 -0.973 12.754 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.943 -0.507 9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -22.227 -0.098 10.887 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.594 1.148 9.784 1.00 0.00 H new ATOM 240 N MET A 15 -19.938 2.033 14.594 1.00 0.00 N ATOM 241 CA MET A 15 -19.007 2.448 15.648 1.00 0.00 C ATOM 242 C MET A 15 -18.886 3.968 15.706 1.00 0.00 C ATOM 243 O MET A 15 -19.419 4.606 16.615 1.00 0.00 O ATOM 244 CB MET A 15 -17.621 1.809 15.481 1.00 0.00 C ATOM 245 CG MET A 15 -17.600 0.312 15.745 1.00 0.00 C ATOM 246 SD MET A 15 -15.930 -0.371 15.738 1.00 0.00 S ATOM 247 CE MET A 15 -16.271 -2.090 16.110 1.00 0.00 C ATOM 0 H MET A 15 -20.795 1.611 14.951 1.00 0.00 H new ATOM 0 HA MET A 15 -19.422 2.093 16.592 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.265 1.995 14.468 1.00 0.00 H new ATOM 0 HB3 MET A 15 -16.922 2.298 16.159 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.067 0.110 16.709 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.199 -0.195 14.988 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.335 -2.648 16.141 1.00 0.00 H new ATOM 0 HE2 MET A 15 -16.768 -2.161 17.077 1.00 0.00 H new ATOM 0 HE3 MET A 15 -16.917 -2.508 15.338 1.00 0.00 H new ATOM 257 N GLY A 16 -18.192 4.538 14.733 1.00 0.00 N ATOM 258 CA GLY A 16 -18.039 5.974 14.659 1.00 0.00 C ATOM 259 C GLY A 16 -17.677 6.428 13.262 1.00 0.00 C ATOM 260 O GLY A 16 -17.150 7.522 13.070 1.00 0.00 O ATOM 0 H GLY A 16 -17.727 4.023 13.985 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.967 6.455 14.969 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.266 6.294 15.357 1.00 0.00 H new ATOM 264 N ILE A 17 -17.951 5.572 12.287 1.00 0.00 N ATOM 265 CA ILE A 17 -17.650 5.865 10.894 1.00 0.00 C ATOM 266 C ILE A 17 -18.945 5.889 10.086 1.00 0.00 C ATOM 267 O ILE A 17 -19.813 5.036 10.280 1.00 0.00 O ATOM 268 CB ILE A 17 -16.668 4.825 10.284 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.296 4.876 10.972 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.503 5.047 8.791 1.00 0.00 C ATOM 271 CD1 ILE A 17 -15.248 4.178 12.316 1.00 0.00 C ATOM 0 H ILE A 17 -18.385 4.661 12.438 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.166 6.841 10.853 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.099 3.838 10.450 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.555 4.423 10.313 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.008 5.919 11.106 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.812 4.307 8.387 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.470 4.946 8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.108 6.047 8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.244 4.261 12.733 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.963 4.645 12.994 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.502 3.126 12.189 1.00 0.00 H new ATOM 283 N THR A 18 -19.074 6.865 9.198 1.00 0.00 N ATOM 284 CA THR A 18 -20.292 7.032 8.420 1.00 0.00 C ATOM 285 C THR A 18 -20.185 6.352 7.059 1.00 0.00 C ATOM 286 O THR A 18 -19.334 6.704 6.236 1.00 0.00 O ATOM 287 CB THR A 18 -20.624 8.526 8.228 1.00 0.00 C ATOM 288 OG1 THR A 18 -20.754 9.158 9.509 1.00 0.00 O ATOM 289 CG2 THR A 18 -21.916 8.703 7.440 1.00 0.00 C ATOM 0 H THR A 18 -18.349 7.554 8.999 1.00 0.00 H new ATOM 0 HA THR A 18 -21.097 6.557 8.981 1.00 0.00 H new ATOM 0 HB THR A 18 -19.812 8.988 7.666 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.414 8.674 10.047 1.00 0.00 H new ATOM 0 HG21 THR A 18 -22.126 9.766 7.319 1.00 0.00 H new ATOM 0 HG22 THR A 18 -21.810 8.240 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 18 -22.738 8.230 7.977 1.00 0.00 H new ATOM 297 N PHE A 19 -21.050 5.374 6.833 1.00 0.00 N ATOM 298 CA PHE A 19 -21.099 4.667 5.565 1.00 0.00 C ATOM 299 C PHE A 19 -22.322 5.101 4.774 1.00 0.00 C ATOM 300 O PHE A 19 -23.401 5.298 5.336 1.00 0.00 O ATOM 301 CB PHE A 19 -21.141 3.155 5.795 1.00 0.00 C ATOM 302 CG PHE A 19 -19.959 2.627 6.551 1.00 0.00 C ATOM 303 CD1 PHE A 19 -19.921 2.680 7.935 1.00 0.00 C ATOM 304 CD2 PHE A 19 -18.883 2.080 5.877 1.00 0.00 C ATOM 305 CE1 PHE A 19 -18.833 2.197 8.631 1.00 0.00 C ATOM 306 CE2 PHE A 19 -17.792 1.594 6.567 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.766 1.654 7.946 1.00 0.00 C ATOM 0 H PHE A 19 -21.732 5.051 7.519 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.200 4.910 4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.051 2.905 6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.199 2.651 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -20.754 3.105 8.475 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.897 2.033 4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.816 2.244 9.710 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.959 1.167 6.029 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.911 1.276 8.488 1.00 0.00 H new ATOM 317 N ARG A 20 -22.152 5.256 3.475 1.00 0.00 N ATOM 318 CA ARG A 20 -23.242 5.664 2.611 1.00 0.00 C ATOM 319 C ARG A 20 -23.452 4.635 1.515 1.00 0.00 C ATOM 320 O ARG A 20 -22.488 4.054 1.010 1.00 0.00 O ATOM 321 CB ARG A 20 -22.956 7.035 1.998 1.00 0.00 C ATOM 322 CG ARG A 20 -22.857 8.159 3.017 1.00 0.00 C ATOM 323 CD ARG A 20 -22.523 9.480 2.350 1.00 0.00 C ATOM 324 NE ARG A 20 -23.468 9.803 1.281 1.00 0.00 N ATOM 325 CZ ARG A 20 -23.317 10.815 0.431 1.00 0.00 C ATOM 326 NH1 ARG A 20 -22.267 11.622 0.532 1.00 0.00 N ATOM 327 NH2 ARG A 20 -24.218 11.014 -0.522 1.00 0.00 N ATOM 0 H ARG A 20 -21.266 5.105 2.994 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.151 5.735 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.023 6.983 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -23.744 7.274 1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -23.801 8.249 3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.091 7.918 3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -22.531 10.276 3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.513 9.436 1.942 1.00 0.00 H new ATOM 0 HE ARG A 20 -24.295 9.215 1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.573 11.467 1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.155 12.397 -0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -25.023 10.392 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.106 11.789 -1.176 1.00 0.00 H new ATOM 341 N ALA A 21 -24.708 4.398 1.165 1.00 0.00 N ATOM 342 CA ALA A 21 -25.040 3.438 0.129 1.00 0.00 C ATOM 343 C ALA A 21 -24.519 3.903 -1.223 1.00 0.00 C ATOM 344 O ALA A 21 -25.059 4.833 -1.826 1.00 0.00 O ATOM 345 CB ALA A 21 -26.540 3.197 0.079 1.00 0.00 C ATOM 0 H ALA A 21 -25.514 4.860 1.586 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.554 2.493 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.766 2.474 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.878 2.809 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.052 4.135 -0.134 1.00 0.00 H new ATOM 351 N GLY A 22 -23.459 3.258 -1.684 1.00 0.00 N ATOM 352 CA GLY A 22 -22.849 3.632 -2.944 1.00 0.00 C ATOM 353 C GLY A 22 -21.495 4.287 -2.753 1.00 0.00 C ATOM 354 O GLY A 22 -20.787 4.559 -3.724 1.00 0.00 O ATOM 0 H GLY A 22 -23.008 2.478 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.737 2.746 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.510 4.316 -3.477 1.00 0.00 H new ATOM 358 N VAL A 23 -21.123 4.521 -1.499 1.00 0.00 N ATOM 359 CA VAL A 23 -19.855 5.165 -1.184 1.00 0.00 C ATOM 360 C VAL A 23 -18.923 4.197 -0.465 1.00 0.00 C ATOM 361 O VAL A 23 -19.267 3.651 0.584 1.00 0.00 O ATOM 362 CB VAL A 23 -20.061 6.422 -0.308 1.00 0.00 C ATOM 363 CG1 VAL A 23 -18.731 7.103 -0.012 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.021 7.391 -0.982 1.00 0.00 C ATOM 0 H VAL A 23 -21.683 4.273 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.404 5.469 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.497 6.107 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.903 7.984 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.078 6.410 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.259 7.402 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.154 8.270 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.614 7.695 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -21.984 6.903 -1.132 1.00 0.00 H new ATOM 374 N SER A 24 -17.752 3.978 -1.044 1.00 0.00 N ATOM 375 CA SER A 24 -16.771 3.069 -0.473 1.00 0.00 C ATOM 376 C SER A 24 -15.972 3.774 0.620 1.00 0.00 C ATOM 377 O SER A 24 -15.055 4.547 0.336 1.00 0.00 O ATOM 378 CB SER A 24 -15.837 2.558 -1.572 1.00 0.00 C ATOM 379 OG SER A 24 -16.578 2.084 -2.687 1.00 0.00 O ATOM 0 H SER A 24 -17.457 4.421 -1.914 1.00 0.00 H new ATOM 0 HA SER A 24 -17.289 2.220 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.169 3.359 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.211 1.757 -1.179 1.00 0.00 H new ATOM 0 HG SER A 24 -15.961 1.764 -3.378 1.00 0.00 H new ATOM 385 N GLN A 25 -16.335 3.515 1.867 1.00 0.00 N ATOM 386 CA GLN A 25 -15.709 4.184 2.996 1.00 0.00 C ATOM 387 C GLN A 25 -14.451 3.439 3.432 1.00 0.00 C ATOM 388 O GLN A 25 -14.406 2.210 3.408 1.00 0.00 O ATOM 389 CB GLN A 25 -16.704 4.293 4.154 1.00 0.00 C ATOM 390 CG GLN A 25 -16.211 5.147 5.307 1.00 0.00 C ATOM 391 CD GLN A 25 -15.845 6.551 4.870 1.00 0.00 C ATOM 392 OE1 GLN A 25 -14.698 6.821 4.515 1.00 0.00 O ATOM 393 NE2 GLN A 25 -16.815 7.450 4.893 1.00 0.00 N ATOM 0 H GLN A 25 -17.061 2.845 2.122 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.416 5.189 2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.639 4.710 3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -16.927 3.292 4.525 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -16.984 5.198 6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.341 4.672 5.761 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.752 7.182 5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.626 8.411 4.609 1.00 0.00 H new ATOM 402 N THR A 26 -13.430 4.189 3.820 1.00 0.00 N ATOM 403 CA THR A 26 -12.161 3.605 4.225 1.00 0.00 C ATOM 404 C THR A 26 -12.229 3.119 5.670 1.00 0.00 C ATOM 405 O THR A 26 -12.580 3.882 6.572 1.00 0.00 O ATOM 406 CB THR A 26 -11.026 4.631 4.080 1.00 0.00 C ATOM 407 OG1 THR A 26 -11.161 5.308 2.823 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.666 3.951 4.149 1.00 0.00 C ATOM 0 H THR A 26 -13.457 5.208 3.863 1.00 0.00 H new ATOM 0 HA THR A 26 -11.959 2.754 3.574 1.00 0.00 H new ATOM 0 HB THR A 26 -11.094 5.346 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.440 5.965 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.880 4.699 4.044 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.560 3.446 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.583 3.221 3.344 1.00 0.00 H new ATOM 416 N VAL A 27 -11.903 1.850 5.882 1.00 0.00 N ATOM 417 CA VAL A 27 -11.976 1.252 7.207 1.00 0.00 C ATOM 418 C VAL A 27 -10.687 0.517 7.553 1.00 0.00 C ATOM 419 O VAL A 27 -9.925 0.128 6.667 1.00 0.00 O ATOM 420 CB VAL A 27 -13.160 0.260 7.324 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.478 0.964 7.061 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.988 -0.925 6.380 1.00 0.00 C ATOM 0 H VAL A 27 -11.585 1.214 5.150 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.128 2.073 7.908 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.170 -0.125 8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.296 0.249 7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.615 1.763 7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.471 1.386 6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.836 -1.602 6.487 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.937 -0.567 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.068 -1.455 6.625 1.00 0.00 H new ATOM 432 N PRO A 28 -10.403 0.355 8.851 1.00 0.00 N ATOM 433 CA PRO A 28 -9.321 -0.507 9.316 1.00 0.00 C ATOM 434 C PRO A 28 -9.709 -1.973 9.178 1.00 0.00 C ATOM 435 O PRO A 28 -10.894 -2.292 9.052 1.00 0.00 O ATOM 436 CB PRO A 28 -9.157 -0.135 10.799 1.00 0.00 C ATOM 437 CG PRO A 28 -10.017 1.070 11.017 1.00 0.00 C ATOM 438 CD PRO A 28 -11.088 1.016 9.968 1.00 0.00 C ATOM 0 HA PRO A 28 -8.403 -0.373 8.743 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.466 -0.957 11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.115 0.081 11.035 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.451 1.063 12.017 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.433 1.986 10.930 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.957 0.450 10.304 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.441 2.011 9.696 1.00 0.00 H new ATOM 446 N LYS A 29 -8.728 -2.866 9.211 1.00 0.00 N ATOM 447 CA LYS A 29 -8.999 -4.293 9.064 1.00 0.00 C ATOM 448 C LYS A 29 -9.920 -4.789 10.179 1.00 0.00 C ATOM 449 O LYS A 29 -10.626 -5.785 10.013 1.00 0.00 O ATOM 450 CB LYS A 29 -7.696 -5.095 9.043 1.00 0.00 C ATOM 451 CG LYS A 29 -7.890 -6.541 8.613 1.00 0.00 C ATOM 452 CD LYS A 29 -6.565 -7.254 8.415 1.00 0.00 C ATOM 453 CE LYS A 29 -6.773 -8.657 7.870 1.00 0.00 C ATOM 454 NZ LYS A 29 -5.484 -9.325 7.558 1.00 0.00 N ATOM 0 H LYS A 29 -7.743 -2.631 9.337 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.507 -4.443 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.991 -4.613 8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.248 -5.075 10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.477 -7.068 9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.461 -6.571 7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.941 -6.683 7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.031 -7.305 9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.323 -9.252 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.385 -8.610 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.668 -10.280 7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.970 -8.771 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.910 -9.393 8.423 1.00 0.00 H new ATOM 468 N LYS A 30 -9.926 -4.076 11.303 1.00 0.00 N ATOM 469 CA LYS A 30 -10.850 -4.367 12.394 1.00 0.00 C ATOM 470 C LYS A 30 -12.291 -4.317 11.883 1.00 0.00 C ATOM 471 O LYS A 30 -13.060 -5.261 12.058 1.00 0.00 O ATOM 472 CB LYS A 30 -10.690 -3.365 13.550 1.00 0.00 C ATOM 473 CG LYS A 30 -9.366 -3.448 14.307 1.00 0.00 C ATOM 474 CD LYS A 30 -8.205 -2.864 13.514 1.00 0.00 C ATOM 475 CE LYS A 30 -6.958 -2.692 14.378 1.00 0.00 C ATOM 476 NZ LYS A 30 -6.474 -3.980 14.945 1.00 0.00 N ATOM 0 H LYS A 30 -9.299 -3.291 11.481 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.619 -5.365 12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.800 -2.356 13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.505 -3.519 14.258 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.459 -2.917 15.254 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.152 -4.490 14.545 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.976 -3.516 12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.497 -1.899 13.100 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.166 -2.241 13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.176 -2.000 15.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.607 -3.813 15.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.205 -4.383 15.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.271 -4.645 14.172 1.00 0.00 H new ATOM 490 N LEU A 31 -12.634 -3.213 11.225 1.00 0.00 N ATOM 491 CA LEU A 31 -13.968 -3.037 10.667 1.00 0.00 C ATOM 492 C LEU A 31 -14.135 -3.859 9.402 1.00 0.00 C ATOM 493 O LEU A 31 -15.237 -4.281 9.073 1.00 0.00 O ATOM 494 CB LEU A 31 -14.246 -1.563 10.366 1.00 0.00 C ATOM 495 CG LEU A 31 -14.507 -0.687 11.589 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.683 0.763 11.175 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.734 -1.183 12.338 1.00 0.00 C ATOM 0 H LEU A 31 -12.004 -2.427 11.066 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.685 -3.383 11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.396 -1.154 9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -15.109 -1.501 9.704 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.646 -0.750 12.254 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.868 1.374 12.059 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.779 1.111 10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.529 0.846 10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.910 -0.550 13.208 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.602 -1.144 11.680 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.571 -2.210 12.664 1.00 0.00 H new ATOM 509 N TYR A 32 -13.038 -4.081 8.694 1.00 0.00 N ATOM 510 CA TYR A 32 -13.065 -4.891 7.486 1.00 0.00 C ATOM 511 C TYR A 32 -13.606 -6.285 7.789 1.00 0.00 C ATOM 512 O TYR A 32 -14.419 -6.821 7.047 1.00 0.00 O ATOM 513 CB TYR A 32 -11.667 -4.987 6.871 1.00 0.00 C ATOM 514 CG TYR A 32 -11.598 -5.888 5.658 1.00 0.00 C ATOM 515 CD1 TYR A 32 -12.084 -5.466 4.428 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.054 -7.163 5.747 1.00 0.00 C ATOM 517 CE1 TYR A 32 -12.031 -6.290 3.322 1.00 0.00 C ATOM 518 CE2 TYR A 32 -10.999 -7.992 4.646 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.488 -7.552 3.435 1.00 0.00 C ATOM 520 OH TYR A 32 -11.439 -8.378 2.339 1.00 0.00 O ATOM 0 H TYR A 32 -12.118 -3.712 8.935 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.727 -4.410 6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.334 -3.988 6.590 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.972 -5.355 7.626 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.510 -4.478 4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.668 -7.511 6.694 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.413 -5.947 2.372 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.575 -8.981 4.733 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.025 -9.230 2.590 1.00 0.00 H new ATOM 530 N GLU A 33 -13.159 -6.860 8.888 1.00 0.00 N ATOM 531 CA GLU A 33 -13.608 -8.189 9.277 1.00 0.00 C ATOM 532 C GLU A 33 -14.979 -8.110 9.951 1.00 0.00 C ATOM 533 O GLU A 33 -15.869 -8.938 9.700 1.00 0.00 O ATOM 534 CB GLU A 33 -12.575 -8.828 10.202 1.00 0.00 C ATOM 535 CG GLU A 33 -12.815 -10.302 10.469 1.00 0.00 C ATOM 536 CD GLU A 33 -11.638 -10.955 11.156 1.00 0.00 C ATOM 537 OE1 GLU A 33 -10.712 -11.410 10.446 1.00 0.00 O ATOM 538 OE2 GLU A 33 -11.622 -11.005 12.405 1.00 0.00 O ATOM 0 H GLU A 33 -12.488 -6.433 9.527 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.709 -8.812 8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.585 -8.705 9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.572 -8.293 11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.705 -10.418 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.013 -10.813 9.527 1.00 0.00 H new ATOM 545 N TYR A 34 -15.154 -7.083 10.778 1.00 0.00 N ATOM 546 CA TYR A 34 -16.405 -6.864 11.494 1.00 0.00 C ATOM 547 C TYR A 34 -17.563 -6.651 10.519 1.00 0.00 C ATOM 548 O TYR A 34 -18.689 -7.067 10.776 1.00 0.00 O ATOM 549 CB TYR A 34 -16.268 -5.658 12.429 1.00 0.00 C ATOM 550 CG TYR A 34 -17.471 -5.422 13.313 1.00 0.00 C ATOM 551 CD1 TYR A 34 -17.640 -6.138 14.491 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.435 -4.482 12.970 1.00 0.00 C ATOM 553 CE1 TYR A 34 -18.737 -5.926 15.301 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.533 -4.264 13.775 1.00 0.00 C ATOM 555 CZ TYR A 34 -19.680 -4.987 14.940 1.00 0.00 C ATOM 556 OH TYR A 34 -20.781 -4.778 15.738 1.00 0.00 O ATOM 0 H TYR A 34 -14.437 -6.384 10.969 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.622 -7.752 12.087 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.390 -5.798 13.059 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.091 -4.765 11.829 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.901 -6.872 14.778 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.323 -3.913 12.059 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.856 -6.492 16.213 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.274 -3.530 13.494 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.346 -4.082 15.341 1.00 0.00 H new ATOM 566 N LEU A 35 -17.288 -6.003 9.398 1.00 0.00 N ATOM 567 CA LEU A 35 -18.311 -5.773 8.388 1.00 0.00 C ATOM 568 C LEU A 35 -18.306 -6.884 7.347 1.00 0.00 C ATOM 569 O LEU A 35 -19.262 -7.038 6.593 1.00 0.00 O ATOM 570 CB LEU A 35 -18.117 -4.413 7.717 1.00 0.00 C ATOM 571 CG LEU A 35 -18.260 -3.208 8.649 1.00 0.00 C ATOM 572 CD1 LEU A 35 -18.041 -1.915 7.883 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.626 -3.210 9.318 1.00 0.00 C ATOM 0 H LEU A 35 -16.369 -5.628 9.164 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.280 -5.775 8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.127 -4.387 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.842 -4.316 6.909 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.499 -3.280 9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.146 -1.068 8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.040 -1.912 7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.779 -1.835 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.710 -2.346 9.977 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.404 -3.162 8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.744 -4.124 9.901 1.00 0.00 H new ATOM 585 N ASN A 36 -17.231 -7.662 7.316 1.00 0.00 N ATOM 586 CA ASN A 36 -17.153 -8.823 6.435 1.00 0.00 C ATOM 587 C ASN A 36 -18.233 -9.828 6.809 1.00 0.00 C ATOM 588 O ASN A 36 -18.843 -10.460 5.943 1.00 0.00 O ATOM 589 CB ASN A 36 -15.763 -9.468 6.512 1.00 0.00 C ATOM 590 CG ASN A 36 -15.658 -10.751 5.709 1.00 0.00 C ATOM 591 OD1 ASN A 36 -15.414 -10.727 4.504 1.00 0.00 O ATOM 592 ND2 ASN A 36 -15.806 -11.882 6.382 1.00 0.00 N ATOM 0 H ASN A 36 -16.401 -7.511 7.890 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.316 -8.497 5.408 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.019 -8.758 6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.523 -9.678 7.554 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.718 -12.777 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.008 -11.858 7.382 1.00 0.00 H new ATOM 599 N GLU A 37 -18.483 -9.954 8.109 1.00 0.00 N ATOM 600 CA GLU A 37 -19.545 -10.828 8.604 1.00 0.00 C ATOM 601 C GLU A 37 -20.926 -10.166 8.485 1.00 0.00 C ATOM 602 O GLU A 37 -21.927 -10.709 8.955 1.00 0.00 O ATOM 603 CB GLU A 37 -19.270 -11.225 10.057 1.00 0.00 C ATOM 604 CG GLU A 37 -19.032 -10.041 10.979 1.00 0.00 C ATOM 605 CD GLU A 37 -18.808 -10.457 12.415 1.00 0.00 C ATOM 606 OE1 GLU A 37 -17.781 -11.110 12.696 1.00 0.00 O ATOM 607 OE2 GLU A 37 -19.666 -10.150 13.267 1.00 0.00 O ATOM 0 H GLU A 37 -17.966 -9.463 8.839 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.553 -11.724 7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.115 -11.803 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -18.398 -11.879 10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -18.166 -9.480 10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.888 -9.369 10.929 1.00 0.00 H new ATOM 614 N ASN A 38 -20.981 -9.002 7.849 1.00 0.00 N ATOM 615 CA ASN A 38 -22.240 -8.292 7.649 1.00 0.00 C ATOM 616 C ASN A 38 -22.563 -8.189 6.160 1.00 0.00 C ATOM 617 O ASN A 38 -21.866 -7.513 5.405 1.00 0.00 O ATOM 618 CB ASN A 38 -22.190 -6.900 8.291 1.00 0.00 C ATOM 619 CG ASN A 38 -22.456 -6.938 9.788 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.601 -6.828 10.226 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.411 -7.090 10.585 1.00 0.00 N ATOM 0 H ASN A 38 -20.165 -8.528 7.461 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.034 -8.859 8.136 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.211 -6.455 8.111 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -22.926 -6.256 7.811 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.541 -7.119 11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.476 -7.178 10.188 1.00 0.00 H new ATOM 628 N PRO A 39 -23.640 -8.857 5.721 1.00 0.00 N ATOM 629 CA PRO A 39 -23.974 -8.998 4.298 1.00 0.00 C ATOM 630 C PRO A 39 -24.662 -7.773 3.681 1.00 0.00 C ATOM 631 O PRO A 39 -25.357 -7.893 2.673 1.00 0.00 O ATOM 632 CB PRO A 39 -24.921 -10.195 4.298 1.00 0.00 C ATOM 633 CG PRO A 39 -25.612 -10.130 5.615 1.00 0.00 C ATOM 634 CD PRO A 39 -24.618 -9.546 6.586 1.00 0.00 C ATOM 0 HA PRO A 39 -23.075 -9.116 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.632 -10.137 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.375 -11.132 4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.507 -9.510 5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.932 -11.121 5.935 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.096 -8.854 7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.143 -10.322 7.187 1.00 0.00 H new ATOM 642 N TYR A 40 -24.466 -6.598 4.266 1.00 0.00 N ATOM 643 CA TYR A 40 -25.002 -5.373 3.683 1.00 0.00 C ATOM 644 C TYR A 40 -23.880 -4.379 3.412 1.00 0.00 C ATOM 645 O TYR A 40 -24.114 -3.190 3.182 1.00 0.00 O ATOM 646 CB TYR A 40 -26.112 -4.762 4.553 1.00 0.00 C ATOM 647 CG TYR A 40 -25.823 -4.685 6.035 1.00 0.00 C ATOM 648 CD1 TYR A 40 -25.943 -5.807 6.845 1.00 0.00 C ATOM 649 CD2 TYR A 40 -25.465 -3.484 6.630 1.00 0.00 C ATOM 650 CE1 TYR A 40 -25.710 -5.734 8.203 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.225 -3.404 7.988 1.00 0.00 C ATOM 652 CZ TYR A 40 -25.351 -4.531 8.771 1.00 0.00 C ATOM 653 OH TYR A 40 -25.117 -4.457 10.125 1.00 0.00 O ATOM 0 H TYR A 40 -23.946 -6.467 5.134 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.464 -5.628 2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.318 -3.755 4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -27.022 -5.345 4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -26.223 -6.752 6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -25.372 -2.597 6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -25.809 -6.616 8.818 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -24.940 -2.463 8.434 1.00 0.00 H new ATOM 0 HH TYR A 40 -24.576 -5.224 10.406 1.00 0.00 H new ATOM 663 N PHE A 41 -22.660 -4.898 3.411 1.00 0.00 N ATOM 664 CA PHE A 41 -21.483 -4.134 3.027 1.00 0.00 C ATOM 665 C PHE A 41 -20.692 -4.900 1.976 1.00 0.00 C ATOM 666 O PHE A 41 -20.521 -6.116 2.089 1.00 0.00 O ATOM 667 CB PHE A 41 -20.572 -3.869 4.232 1.00 0.00 C ATOM 668 CG PHE A 41 -21.071 -2.814 5.176 1.00 0.00 C ATOM 669 CD1 PHE A 41 -20.773 -1.481 4.955 1.00 0.00 C ATOM 670 CD2 PHE A 41 -21.823 -3.153 6.288 1.00 0.00 C ATOM 671 CE1 PHE A 41 -21.217 -0.503 5.823 1.00 0.00 C ATOM 672 CE2 PHE A 41 -22.270 -2.178 7.161 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.968 -0.852 6.929 1.00 0.00 C ATOM 0 H PHE A 41 -22.459 -5.862 3.677 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.823 -3.179 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.443 -4.800 4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.587 -3.575 3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -20.186 -1.202 4.093 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -22.063 -4.189 6.476 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -20.977 0.534 5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -22.856 -2.455 8.025 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.317 -0.090 7.609 1.00 0.00 H new ATOM 683 N ILE A 42 -20.249 -4.209 0.936 1.00 0.00 N ATOM 684 CA ILE A 42 -19.282 -4.787 0.017 1.00 0.00 C ATOM 685 C ILE A 42 -17.891 -4.280 0.384 1.00 0.00 C ATOM 686 O ILE A 42 -17.684 -3.083 0.553 1.00 0.00 O ATOM 687 CB ILE A 42 -19.608 -4.467 -1.463 1.00 0.00 C ATOM 688 CG1 ILE A 42 -18.750 -5.328 -2.394 1.00 0.00 C ATOM 689 CG2 ILE A 42 -19.409 -2.990 -1.772 1.00 0.00 C ATOM 690 CD1 ILE A 42 -19.066 -5.139 -3.863 1.00 0.00 C ATOM 0 H ILE A 42 -20.540 -3.258 0.709 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.324 -5.872 0.113 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.659 -4.702 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -17.699 -5.094 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -18.889 -6.377 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.647 -2.802 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -20.066 -2.394 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.372 -2.715 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -18.419 -5.781 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.108 -5.401 -4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -18.900 -4.098 -4.140 1.00 0.00 H new ATOM 702 N LEU A 43 -16.946 -5.181 0.550 1.00 0.00 N ATOM 703 CA LEU A 43 -15.635 -4.783 1.026 1.00 0.00 C ATOM 704 C LEU A 43 -14.567 -5.019 -0.030 1.00 0.00 C ATOM 705 O LEU A 43 -14.328 -6.152 -0.458 1.00 0.00 O ATOM 706 CB LEU A 43 -15.295 -5.508 2.329 1.00 0.00 C ATOM 707 CG LEU A 43 -16.325 -5.325 3.447 1.00 0.00 C ATOM 708 CD1 LEU A 43 -17.326 -6.473 3.455 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.637 -5.198 4.793 1.00 0.00 C ATOM 0 H LEU A 43 -17.056 -6.178 0.366 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.660 -3.712 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.190 -6.573 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.327 -5.155 2.684 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.873 -4.402 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -18.048 -6.321 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.848 -6.507 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.799 -7.414 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.386 -5.069 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.057 -6.099 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.972 -4.334 4.782 1.00 0.00 H new ATOM 721 N THR A 44 -13.937 -3.936 -0.446 1.00 0.00 N ATOM 722 CA THR A 44 -12.941 -3.972 -1.497 1.00 0.00 C ATOM 723 C THR A 44 -11.545 -3.656 -0.971 1.00 0.00 C ATOM 724 O THR A 44 -11.370 -2.813 -0.084 1.00 0.00 O ATOM 725 CB THR A 44 -13.296 -2.973 -2.612 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.090 -1.902 -2.075 1.00 0.00 O ATOM 727 CG2 THR A 44 -14.050 -3.655 -3.742 1.00 0.00 C ATOM 0 H THR A 44 -14.103 -3.005 -0.063 1.00 0.00 H new ATOM 0 HA THR A 44 -12.938 -4.987 -1.895 1.00 0.00 H new ATOM 0 HB THR A 44 -12.366 -2.572 -3.016 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.575 -1.424 -1.392 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.287 -2.924 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.431 -4.445 -4.168 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.973 -4.086 -3.355 1.00 0.00 H new ATOM 877 N PRO A 54 11.749 7.191 -3.286 1.00 0.00 N ATOM 878 CA PRO A 54 13.108 7.743 -3.179 1.00 0.00 C ATOM 879 C PRO A 54 13.297 9.048 -3.953 1.00 0.00 C ATOM 880 O PRO A 54 12.745 9.215 -5.038 1.00 0.00 O ATOM 881 CB PRO A 54 14.000 6.642 -3.767 1.00 0.00 C ATOM 882 CG PRO A 54 13.077 5.755 -4.532 1.00 0.00 C ATOM 883 CD PRO A 54 11.757 5.827 -3.826 1.00 0.00 C ATOM 0 HA PRO A 54 13.343 8.000 -2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.769 7.063 -4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.514 6.090 -2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.985 6.086 -5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.451 4.731 -4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.924 5.658 -4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.680 5.079 -3.037 1.00 0.00 H new ATOM 891 N ILE A 55 14.082 9.962 -3.359 1.00 0.00 N ATOM 892 CA ILE A 55 14.414 11.278 -3.938 1.00 0.00 C ATOM 893 C ILE A 55 13.153 12.055 -4.363 1.00 0.00 C ATOM 894 O ILE A 55 13.198 12.946 -5.214 1.00 0.00 O ATOM 895 CB ILE A 55 15.432 11.162 -5.117 1.00 0.00 C ATOM 896 CG1 ILE A 55 16.168 12.492 -5.304 1.00 0.00 C ATOM 897 CG2 ILE A 55 14.765 10.746 -6.427 1.00 0.00 C ATOM 898 CD1 ILE A 55 16.952 12.929 -4.087 1.00 0.00 C ATOM 0 H ILE A 55 14.512 9.806 -2.447 1.00 0.00 H new ATOM 0 HA ILE A 55 14.899 11.850 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 55 16.143 10.378 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.848 12.405 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.443 13.266 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.517 10.680 -7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.287 9.775 -6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.014 11.486 -6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.446 13.878 -4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.274 13.049 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.701 12.175 -3.847 1.00 0.00 H new ATOM 910 N ASN A 56 12.043 11.761 -3.700 1.00 0.00 N ATOM 911 CA ASN A 56 10.756 12.340 -4.054 1.00 0.00 C ATOM 912 C ASN A 56 9.908 12.511 -2.800 1.00 0.00 C ATOM 913 O ASN A 56 9.065 11.672 -2.474 1.00 0.00 O ATOM 914 CB ASN A 56 10.033 11.452 -5.078 1.00 0.00 C ATOM 915 CG ASN A 56 8.738 12.058 -5.598 1.00 0.00 C ATOM 916 OD1 ASN A 56 8.726 12.762 -6.609 1.00 0.00 O ATOM 917 ND2 ASN A 56 7.636 11.780 -4.919 1.00 0.00 N ATOM 0 H ASN A 56 12.009 11.119 -2.908 1.00 0.00 H new ATOM 0 HA ASN A 56 10.918 13.318 -4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.700 11.263 -5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.816 10.487 -4.621 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.738 12.153 -5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.685 11.193 -4.086 1.00 0.00 H new ATOM 924 N TYR A 57 10.176 13.582 -2.071 1.00 0.00 N ATOM 925 CA TYR A 57 9.478 13.863 -0.825 1.00 0.00 C ATOM 926 C TYR A 57 9.148 15.345 -0.745 1.00 0.00 C ATOM 927 O TYR A 57 9.770 16.161 -1.428 1.00 0.00 O ATOM 928 CB TYR A 57 10.341 13.482 0.385 1.00 0.00 C ATOM 929 CG TYR A 57 10.802 12.038 0.425 1.00 0.00 C ATOM 930 CD1 TYR A 57 11.932 11.628 -0.274 1.00 0.00 C ATOM 931 CD2 TYR A 57 10.121 11.091 1.178 1.00 0.00 C ATOM 932 CE1 TYR A 57 12.365 10.319 -0.226 1.00 0.00 C ATOM 933 CE2 TYR A 57 10.552 9.778 1.237 1.00 0.00 C ATOM 934 CZ TYR A 57 11.675 9.398 0.531 1.00 0.00 C ATOM 935 OH TYR A 57 12.112 8.093 0.586 1.00 0.00 O ATOM 0 H TYR A 57 10.878 14.277 -2.323 1.00 0.00 H new ATOM 0 HA TYR A 57 8.563 13.271 -0.809 1.00 0.00 H new ATOM 0 HB2 TYR A 57 11.220 14.127 0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.776 13.691 1.293 1.00 0.00 H new ATOM 0 HD1 TYR A 57 12.480 12.347 -0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.239 11.385 1.728 1.00 0.00 H new ATOM 0 HE1 TYR A 57 13.242 10.017 -0.780 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.013 9.055 1.832 1.00 0.00 H new ATOM 0 HH TYR A 57 11.516 7.572 1.164 1.00 0.00 H new ATOM 945 N THR A 58 8.177 15.692 0.083 1.00 0.00 N ATOM 946 CA THR A 58 7.852 17.087 0.323 1.00 0.00 C ATOM 947 C THR A 58 8.858 17.715 1.267 1.00 0.00 C ATOM 948 O THR A 58 9.425 17.030 2.116 1.00 0.00 O ATOM 949 CB THR A 58 6.417 17.248 0.863 1.00 0.00 C ATOM 950 OG1 THR A 58 5.992 16.043 1.512 1.00 0.00 O ATOM 951 CG2 THR A 58 5.453 17.586 -0.264 1.00 0.00 C ATOM 0 H THR A 58 7.601 15.027 0.600 1.00 0.00 H new ATOM 0 HA THR A 58 7.903 17.609 -0.632 1.00 0.00 H new ATOM 0 HB THR A 58 6.416 18.065 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.080 16.159 1.852 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.446 17.695 0.139 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.758 18.520 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.463 16.785 -1.004 1.00 0.00 H new ATOM 959 N GLU A 59 9.115 19.008 1.098 1.00 0.00 N ATOM 960 CA GLU A 59 10.012 19.716 1.997 1.00 0.00 C ATOM 961 C GLU A 59 9.500 19.590 3.420 1.00 0.00 C ATOM 962 O GLU A 59 10.265 19.326 4.341 1.00 0.00 O ATOM 963 CB GLU A 59 10.142 21.187 1.598 1.00 0.00 C ATOM 964 CG GLU A 59 10.877 22.035 2.622 1.00 0.00 C ATOM 965 CD GLU A 59 10.937 23.496 2.231 1.00 0.00 C ATOM 966 OE1 GLU A 59 9.906 24.187 2.345 1.00 0.00 O ATOM 967 OE2 GLU A 59 12.018 23.961 1.820 1.00 0.00 O ATOM 0 H GLU A 59 8.718 19.581 0.353 1.00 0.00 H new ATOM 0 HA GLU A 59 11.004 19.269 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.665 21.251 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.146 21.602 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.382 21.941 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.891 21.653 2.744 1.00 0.00 H new ATOM 974 N SER A 60 8.192 19.740 3.580 1.00 0.00 N ATOM 975 CA SER A 60 7.548 19.535 4.864 1.00 0.00 C ATOM 976 C SER A 60 7.780 18.108 5.347 1.00 0.00 C ATOM 977 O SER A 60 7.911 17.868 6.547 1.00 0.00 O ATOM 978 CB SER A 60 6.048 19.811 4.754 1.00 0.00 C ATOM 979 OG SER A 60 5.805 21.128 4.282 1.00 0.00 O ATOM 0 H SER A 60 7.555 20.005 2.829 1.00 0.00 H new ATOM 0 HA SER A 60 7.982 20.228 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.591 19.089 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.578 19.678 5.728 1.00 0.00 H new ATOM 0 HG SER A 60 4.839 21.280 4.219 1.00 0.00 H new ATOM 985 N GLU A 61 7.865 17.162 4.411 1.00 0.00 N ATOM 986 CA GLU A 61 8.075 15.770 4.781 1.00 0.00 C ATOM 987 C GLU A 61 9.528 15.542 5.192 1.00 0.00 C ATOM 988 O GLU A 61 9.814 14.804 6.136 1.00 0.00 O ATOM 989 CB GLU A 61 7.686 14.865 3.613 1.00 0.00 C ATOM 990 CG GLU A 61 7.829 13.380 3.877 1.00 0.00 C ATOM 991 CD GLU A 61 7.063 12.555 2.865 1.00 0.00 C ATOM 992 OE1 GLU A 61 7.309 12.709 1.651 1.00 0.00 O ATOM 993 OE2 GLU A 61 6.176 11.780 3.279 1.00 0.00 O ATOM 0 H GLU A 61 7.793 17.334 3.408 1.00 0.00 H new ATOM 0 HA GLU A 61 7.445 15.525 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.651 15.072 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.300 15.126 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.883 13.105 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.468 13.152 4.880 1.00 0.00 H new ATOM 1000 N LEU A 62 10.433 16.216 4.499 1.00 0.00 N ATOM 1001 CA LEU A 62 11.861 16.068 4.733 1.00 0.00 C ATOM 1002 C LEU A 62 12.334 16.900 5.924 1.00 0.00 C ATOM 1003 O LEU A 62 13.408 16.644 6.474 1.00 0.00 O ATOM 1004 CB LEU A 62 12.631 16.454 3.468 1.00 0.00 C ATOM 1005 CG LEU A 62 12.453 15.489 2.296 1.00 0.00 C ATOM 1006 CD1 LEU A 62 13.017 16.078 1.013 1.00 0.00 C ATOM 1007 CD2 LEU A 62 13.120 14.158 2.603 1.00 0.00 C ATOM 0 H LEU A 62 10.199 16.879 3.760 1.00 0.00 H new ATOM 0 HA LEU A 62 12.057 15.023 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.314 17.448 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.692 16.520 3.710 1.00 0.00 H new ATOM 0 HG LEU A 62 11.385 15.324 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.877 15.371 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.498 17.008 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.081 16.278 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.985 13.480 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.185 14.316 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.669 13.722 3.494 1.00 0.00 H new ATOM 1019 N LYS A 63 11.539 17.896 6.314 1.00 0.00 N ATOM 1020 CA LYS A 63 11.853 18.725 7.480 1.00 0.00 C ATOM 1021 C LYS A 63 11.817 17.900 8.763 1.00 0.00 C ATOM 1022 O LYS A 63 12.538 18.186 9.722 1.00 0.00 O ATOM 1023 CB LYS A 63 10.871 19.901 7.601 1.00 0.00 C ATOM 1024 CG LYS A 63 11.101 21.026 6.599 1.00 0.00 C ATOM 1025 CD LYS A 63 12.461 21.681 6.777 1.00 0.00 C ATOM 1026 CE LYS A 63 12.684 22.783 5.750 1.00 0.00 C ATOM 1027 NZ LYS A 63 11.788 23.951 5.968 1.00 0.00 N ATOM 0 H LYS A 63 10.672 18.149 5.840 1.00 0.00 H new ATOM 0 HA LYS A 63 12.860 19.117 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.856 19.524 7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.938 20.311 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.019 20.631 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.320 21.777 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.538 22.097 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.244 20.929 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.722 23.112 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.518 22.383 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.067 24.726 5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.805 23.677 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.865 24.268 6.956 1.00 0.00 H new ATOM 1041 N GLY A 64 10.980 16.869 8.769 1.00 0.00 N ATOM 1042 CA GLY A 64 10.850 16.021 9.937 1.00 0.00 C ATOM 1043 C GLY A 64 11.797 14.841 9.900 1.00 0.00 C ATOM 1044 O GLY A 64 11.789 13.997 10.793 1.00 0.00 O ATOM 0 H GLY A 64 10.387 16.605 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.042 16.610 10.834 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.824 15.659 10.007 1.00 0.00 H new ATOM 1048 N MET A 65 12.619 14.785 8.864 1.00 0.00 N ATOM 1049 CA MET A 65 13.585 13.710 8.714 1.00 0.00 C ATOM 1050 C MET A 65 14.976 14.198 9.085 1.00 0.00 C ATOM 1051 O MET A 65 15.376 15.306 8.716 1.00 0.00 O ATOM 1052 CB MET A 65 13.584 13.177 7.280 1.00 0.00 C ATOM 1053 CG MET A 65 12.282 12.510 6.873 1.00 0.00 C ATOM 1054 SD MET A 65 12.331 11.877 5.186 1.00 0.00 S ATOM 1055 CE MET A 65 10.710 11.126 5.059 1.00 0.00 C ATOM 0 H MET A 65 12.636 15.474 8.112 1.00 0.00 H new ATOM 0 HA MET A 65 13.301 12.899 9.385 1.00 0.00 H new ATOM 0 HB2 MET A 65 13.788 14.001 6.596 1.00 0.00 H new ATOM 0 HB3 MET A 65 14.398 12.461 7.168 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.067 11.691 7.559 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.466 13.226 6.966 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.315 11.281 4.055 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.788 10.057 5.258 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.039 11.582 5.787 1.00 0.00 H new ATOM 1065 N ASN A 66 15.710 13.370 9.808 1.00 0.00 N ATOM 1066 CA ASN A 66 17.057 13.715 10.232 1.00 0.00 C ATOM 1067 C ASN A 66 18.011 13.609 9.052 1.00 0.00 C ATOM 1068 O ASN A 66 17.635 13.122 7.981 1.00 0.00 O ATOM 1069 CB ASN A 66 17.525 12.797 11.365 1.00 0.00 C ATOM 1070 CG ASN A 66 16.639 12.874 12.596 1.00 0.00 C ATOM 1071 OD1 ASN A 66 16.849 13.707 13.480 1.00 0.00 O ATOM 1072 ND2 ASN A 66 15.644 12.002 12.663 1.00 0.00 N ATOM 0 H ASN A 66 15.395 12.450 10.115 1.00 0.00 H new ATOM 0 HA ASN A 66 17.050 14.740 10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.549 11.768 11.005 1.00 0.00 H new ATOM 0 HB3 ASN A 66 18.546 13.062 11.642 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.017 12.004 13.468 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.504 11.329 11.910 1.00 0.00 H new ATOM 1079 N LYS A 67 19.243 14.059 9.245 1.00 0.00 N ATOM 1080 CA LYS A 67 20.238 14.033 8.186 1.00 0.00 C ATOM 1081 C LYS A 67 20.459 12.611 7.675 1.00 0.00 C ATOM 1082 O LYS A 67 20.613 12.403 6.472 1.00 0.00 O ATOM 1083 CB LYS A 67 21.557 14.654 8.667 1.00 0.00 C ATOM 1084 CG LYS A 67 22.157 13.989 9.899 1.00 0.00 C ATOM 1085 CD LYS A 67 23.389 14.736 10.384 1.00 0.00 C ATOM 1086 CE LYS A 67 23.976 14.106 11.637 1.00 0.00 C ATOM 1087 NZ LYS A 67 23.003 14.082 12.758 1.00 0.00 N ATOM 0 H LYS A 67 19.576 14.447 10.128 1.00 0.00 H new ATOM 0 HA LYS A 67 19.863 14.631 7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 67 22.283 14.608 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 67 21.389 15.709 8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.413 13.954 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.422 12.958 9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.142 14.746 9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 67 23.127 15.774 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.297 13.088 11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 67 24.864 14.661 11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.468 14.409 13.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.203 14.708 12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 22.655 13.111 12.895 1.00 0.00 H new ATOM 1101 N ALA A 68 20.415 11.644 8.589 1.00 0.00 N ATOM 1102 CA ALA A 68 20.628 10.240 8.250 1.00 0.00 C ATOM 1103 C ALA A 68 19.596 9.744 7.238 1.00 0.00 C ATOM 1104 O ALA A 68 19.948 9.081 6.260 1.00 0.00 O ATOM 1105 CB ALA A 68 20.592 9.385 9.510 1.00 0.00 C ATOM 0 H ALA A 68 20.232 11.810 9.579 1.00 0.00 H new ATOM 0 HA ALA A 68 21.611 10.152 7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 68 20.752 8.340 9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.377 9.710 10.193 1.00 0.00 H new ATOM 0 HB3 ALA A 68 19.622 9.492 9.995 1.00 0.00 H new ATOM 1111 N GLU A 69 18.324 10.067 7.471 1.00 0.00 N ATOM 1112 CA GLU A 69 17.262 9.701 6.538 1.00 0.00 C ATOM 1113 C GLU A 69 17.551 10.271 5.155 1.00 0.00 C ATOM 1114 O GLU A 69 17.464 9.566 4.150 1.00 0.00 O ATOM 1115 CB GLU A 69 15.889 10.188 7.021 1.00 0.00 C ATOM 1116 CG GLU A 69 15.361 9.472 8.257 1.00 0.00 C ATOM 1117 CD GLU A 69 15.872 10.061 9.556 1.00 0.00 C ATOM 1118 OE1 GLU A 69 17.041 9.811 9.911 1.00 0.00 O ATOM 1119 OE2 GLU A 69 15.102 10.782 10.226 1.00 0.00 O ATOM 0 H GLU A 69 18.006 10.579 8.294 1.00 0.00 H new ATOM 0 HA GLU A 69 17.236 8.613 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.951 11.255 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.169 10.066 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.272 9.510 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.643 8.420 8.207 1.00 0.00 H new ATOM 1126 N HIS A 70 17.914 11.550 5.113 1.00 0.00 N ATOM 1127 CA HIS A 70 18.268 12.209 3.864 1.00 0.00 C ATOM 1128 C HIS A 70 19.424 11.496 3.186 1.00 0.00 C ATOM 1129 O HIS A 70 19.422 11.316 1.970 1.00 0.00 O ATOM 1130 CB HIS A 70 18.656 13.665 4.109 1.00 0.00 C ATOM 1131 CG HIS A 70 17.510 14.553 4.472 1.00 0.00 C ATOM 1132 ND1 HIS A 70 17.039 15.539 3.636 1.00 0.00 N ATOM 1133 CD2 HIS A 70 16.758 14.625 5.596 1.00 0.00 C ATOM 1134 CE1 HIS A 70 16.055 16.182 4.231 1.00 0.00 C ATOM 1135 NE2 HIS A 70 15.863 15.648 5.418 1.00 0.00 N ATOM 0 H HIS A 70 17.970 12.151 5.935 1.00 0.00 H new ATOM 0 HA HIS A 70 17.392 12.173 3.216 1.00 0.00 H new ATOM 0 HB2 HIS A 70 19.397 13.702 4.908 1.00 0.00 H new ATOM 0 HB3 HIS A 70 19.135 14.057 3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 70 16.847 13.995 6.469 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.499 17.009 3.814 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.162 15.947 6.096 1.00 0.00 H new ATOM 1144 N GLU A 71 20.405 11.094 3.980 1.00 0.00 N ATOM 1145 CA GLU A 71 21.586 10.435 3.455 1.00 0.00 C ATOM 1146 C GLU A 71 21.221 9.154 2.718 1.00 0.00 C ATOM 1147 O GLU A 71 21.636 8.958 1.580 1.00 0.00 O ATOM 1148 CB GLU A 71 22.594 10.156 4.572 1.00 0.00 C ATOM 1149 CG GLU A 71 23.180 11.425 5.166 1.00 0.00 C ATOM 1150 CD GLU A 71 24.288 11.166 6.164 1.00 0.00 C ATOM 1151 OE1 GLU A 71 25.451 11.008 5.734 1.00 0.00 O ATOM 1152 OE2 GLU A 71 24.012 11.149 7.378 1.00 0.00 O ATOM 0 H GLU A 71 20.404 11.214 4.993 1.00 0.00 H new ATOM 0 HA GLU A 71 22.053 11.108 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 71 22.106 9.583 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 71 23.401 9.537 4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 71 23.566 12.050 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 71 22.386 11.989 5.655 1.00 0.00 H new ATOM 1159 N SER A 72 20.421 8.305 3.347 1.00 0.00 N ATOM 1160 CA SER A 72 20.003 7.058 2.721 1.00 0.00 C ATOM 1161 C SER A 72 19.155 7.320 1.474 1.00 0.00 C ATOM 1162 O SER A 72 19.237 6.582 0.493 1.00 0.00 O ATOM 1163 CB SER A 72 19.243 6.197 3.729 1.00 0.00 C ATOM 1164 OG SER A 72 18.376 6.986 4.529 1.00 0.00 O ATOM 0 H SER A 72 20.050 8.455 4.285 1.00 0.00 H new ATOM 0 HA SER A 72 20.894 6.517 2.401 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.665 5.439 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 72 19.952 5.670 4.368 1.00 0.00 H new ATOM 0 HG SER A 72 18.151 7.812 4.051 1.00 0.00 H new ATOM 1170 N ILE A 73 18.361 8.389 1.509 1.00 0.00 N ATOM 1171 CA ILE A 73 17.524 8.765 0.373 1.00 0.00 C ATOM 1172 C ILE A 73 18.377 9.076 -0.857 1.00 0.00 C ATOM 1173 O ILE A 73 18.197 8.483 -1.927 1.00 0.00 O ATOM 1174 CB ILE A 73 16.648 10.000 0.697 1.00 0.00 C ATOM 1175 CG1 ILE A 73 15.629 9.667 1.792 1.00 0.00 C ATOM 1176 CG2 ILE A 73 15.938 10.500 -0.554 1.00 0.00 C ATOM 1177 CD1 ILE A 73 14.862 10.874 2.297 1.00 0.00 C ATOM 0 H ILE A 73 18.280 9.010 2.314 1.00 0.00 H new ATOM 0 HA ILE A 73 16.876 7.913 0.164 1.00 0.00 H new ATOM 0 HB ILE A 73 17.301 10.793 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.921 8.933 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.148 9.201 2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.328 11.368 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.677 10.780 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.300 9.710 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.160 10.562 3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.560 11.601 2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.314 11.329 1.471 1.00 0.00 H new ATOM 1189 N ILE A 74 19.323 9.993 -0.701 1.00 0.00 N ATOM 1190 CA ILE A 74 20.114 10.448 -1.832 1.00 0.00 C ATOM 1191 C ILE A 74 21.153 9.397 -2.226 1.00 0.00 C ATOM 1192 O ILE A 74 21.631 9.375 -3.363 1.00 0.00 O ATOM 1193 CB ILE A 74 20.803 11.799 -1.555 1.00 0.00 C ATOM 1194 CG1 ILE A 74 19.906 12.701 -0.700 1.00 0.00 C ATOM 1195 CG2 ILE A 74 21.100 12.484 -2.877 1.00 0.00 C ATOM 1196 CD1 ILE A 74 20.548 14.020 -0.319 1.00 0.00 C ATOM 0 H ILE A 74 19.558 10.432 0.189 1.00 0.00 H new ATOM 0 HA ILE A 74 19.424 10.595 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 74 21.729 11.618 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.983 12.901 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.630 12.166 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 74 21.588 13.441 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 74 21.758 11.852 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 74 20.168 12.651 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 74 19.852 14.602 0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 74 21.456 13.831 0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 74 20.799 14.577 -1.222 1.00 0.00 H new ATOM 1208 N SER A 75 21.484 8.511 -1.290 1.00 0.00 N ATOM 1209 CA SER A 75 22.342 7.373 -1.593 1.00 0.00 C ATOM 1210 C SER A 75 21.647 6.449 -2.585 1.00 0.00 C ATOM 1211 O SER A 75 22.283 5.892 -3.480 1.00 0.00 O ATOM 1212 CB SER A 75 22.701 6.605 -0.319 1.00 0.00 C ATOM 1213 OG SER A 75 23.485 7.401 0.558 1.00 0.00 O ATOM 0 H SER A 75 21.172 8.560 -0.320 1.00 0.00 H new ATOM 0 HA SER A 75 23.265 7.746 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.789 6.291 0.188 1.00 0.00 H new ATOM 0 HB3 SER A 75 23.249 5.699 -0.580 1.00 0.00 H new ATOM 0 HG SER A 75 23.009 8.234 0.757 1.00 0.00 H new ATOM 1219 N ASN A 76 20.332 6.306 -2.431 1.00 0.00 N ATOM 1220 CA ASN A 76 19.538 5.520 -3.369 1.00 0.00 C ATOM 1221 C ASN A 76 19.485 6.215 -4.724 1.00 0.00 C ATOM 1222 O ASN A 76 19.458 5.558 -5.765 1.00 0.00 O ATOM 1223 CB ASN A 76 18.118 5.285 -2.841 1.00 0.00 C ATOM 1224 CG ASN A 76 18.072 4.330 -1.661 1.00 0.00 C ATOM 1225 OD1 ASN A 76 17.210 4.443 -0.788 1.00 0.00 O ATOM 1226 ND2 ASN A 76 18.982 3.367 -1.633 1.00 0.00 N ATOM 0 H ASN A 76 19.797 6.723 -1.669 1.00 0.00 H new ATOM 0 HA ASN A 76 20.019 4.548 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.684 6.240 -2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.498 4.889 -3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.983 2.689 -0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 76 19.681 3.304 -2.373 1.00 0.00 H new ATOM 1233 N LEU A 77 19.471 7.550 -4.701 1.00 0.00 N ATOM 1234 CA LEU A 77 19.523 8.330 -5.935 1.00 0.00 C ATOM 1235 C LEU A 77 20.853 8.118 -6.654 1.00 0.00 C ATOM 1236 O LEU A 77 20.902 8.039 -7.883 1.00 0.00 O ATOM 1237 CB LEU A 77 19.349 9.826 -5.635 1.00 0.00 C ATOM 1238 CG LEU A 77 19.480 10.740 -6.854 1.00 0.00 C ATOM 1239 CD1 LEU A 77 18.296 10.560 -7.788 1.00 0.00 C ATOM 1240 CD2 LEU A 77 19.617 12.191 -6.421 1.00 0.00 C ATOM 0 H LEU A 77 19.424 8.107 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 77 18.709 7.991 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.368 9.981 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 77 20.091 10.123 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 77 20.383 10.463 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.408 11.219 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 77 18.254 9.525 -8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.375 10.807 -7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 77 19.709 12.826 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 77 18.735 12.486 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 77 20.505 12.303 -5.799 1.00 0.00 H new ATOM 1252 N GLY A 78 21.922 8.008 -5.883 1.00 0.00 N ATOM 1253 CA GLY A 78 23.234 7.810 -6.464 1.00 0.00 C ATOM 1254 C GLY A 78 24.141 9.012 -6.286 1.00 0.00 C ATOM 1255 O GLY A 78 25.083 9.205 -7.054 1.00 0.00 O ATOM 0 H GLY A 78 21.906 8.052 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 78 23.701 6.937 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 78 23.127 7.595 -7.527 1.00 0.00 H new ATOM 1259 N ARG A 79 23.854 9.833 -5.285 1.00 0.00 N ATOM 1260 CA ARG A 79 24.701 10.975 -4.968 1.00 0.00 C ATOM 1261 C ARG A 79 25.119 10.912 -3.508 1.00 0.00 C ATOM 1262 O ARG A 79 24.282 10.693 -2.632 1.00 0.00 O ATOM 1263 CB ARG A 79 23.975 12.298 -5.236 1.00 0.00 C ATOM 1264 CG ARG A 79 24.822 13.524 -4.918 1.00 0.00 C ATOM 1265 CD ARG A 79 25.787 13.848 -6.047 1.00 0.00 C ATOM 1266 NE ARG A 79 27.071 14.351 -5.553 1.00 0.00 N ATOM 1267 CZ ARG A 79 27.359 15.638 -5.364 1.00 0.00 C ATOM 1268 NH1 ARG A 79 26.446 16.573 -5.612 1.00 0.00 N ATOM 1269 NH2 ARG A 79 28.572 15.988 -4.943 1.00 0.00 N ATOM 0 H ARG A 79 23.041 9.730 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 79 25.581 10.932 -5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 79 23.674 12.334 -6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 79 23.062 12.331 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 79 24.171 14.380 -4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 79 25.382 13.351 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 79 25.956 12.953 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 79 25.337 14.591 -6.705 1.00 0.00 H new ATOM 0 HE ARG A 79 27.797 13.667 -5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 79 25.521 16.306 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 79 26.671 17.557 -5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 79 29.277 15.272 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 79 28.797 16.972 -4.797 1.00 0.00 H new ATOM 1283 N ASN A 80 26.408 11.086 -3.253 1.00 0.00 N ATOM 1284 CA ASN A 80 26.918 11.086 -1.888 1.00 0.00 C ATOM 1285 C ASN A 80 26.375 12.293 -1.117 1.00 0.00 C ATOM 1286 O ASN A 80 26.636 13.446 -1.460 1.00 0.00 O ATOM 1287 CB ASN A 80 28.458 11.056 -1.884 1.00 0.00 C ATOM 1288 CG ASN A 80 29.098 12.324 -2.423 1.00 0.00 C ATOM 1289 OD1 ASN A 80 29.183 12.524 -3.633 1.00 0.00 O ATOM 1290 ND2 ASN A 80 29.591 13.170 -1.531 1.00 0.00 N ATOM 0 H ASN A 80 27.119 11.229 -3.971 1.00 0.00 H new ATOM 0 HA ASN A 80 26.572 10.184 -1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 80 28.806 10.890 -0.865 1.00 0.00 H new ATOM 0 HB3 ASN A 80 28.797 10.208 -2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 80 30.060 14.021 -1.840 1.00 0.00 H new ATOM 0 HD22 ASN A 80 29.501 12.970 -0.535 1.00 0.00 H new ATOM 1297 N PRO A 81 25.581 12.036 -0.069 1.00 0.00 N ATOM 1298 CA PRO A 81 24.913 13.086 0.694 1.00 0.00 C ATOM 1299 C PRO A 81 25.803 13.709 1.763 1.00 0.00 C ATOM 1300 O PRO A 81 25.416 14.681 2.412 1.00 0.00 O ATOM 1301 CB PRO A 81 23.745 12.344 1.329 1.00 0.00 C ATOM 1302 CG PRO A 81 24.251 10.958 1.539 1.00 0.00 C ATOM 1303 CD PRO A 81 25.256 10.692 0.446 1.00 0.00 C ATOM 0 HA PRO A 81 24.623 13.928 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 81 23.448 12.805 2.271 1.00 0.00 H new ATOM 0 HB3 PRO A 81 22.870 12.352 0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 81 24.713 10.860 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 81 23.434 10.238 1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 81 26.141 10.186 0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 81 24.839 10.055 -0.334 1.00 0.00 H new ATOM 1311 N SER A 82 27.000 13.162 1.939 1.00 0.00 N ATOM 1312 CA SER A 82 27.943 13.697 2.911 1.00 0.00 C ATOM 1313 C SER A 82 28.614 14.955 2.365 1.00 0.00 C ATOM 1314 O SER A 82 29.446 15.569 3.032 1.00 0.00 O ATOM 1315 CB SER A 82 28.993 12.643 3.276 1.00 0.00 C ATOM 1316 OG SER A 82 29.864 13.112 4.292 1.00 0.00 O ATOM 0 H SER A 82 27.339 12.350 1.422 1.00 0.00 H new ATOM 0 HA SER A 82 27.395 13.963 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 82 28.496 11.733 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 82 29.572 12.382 2.390 1.00 0.00 H new ATOM 0 HG SER A 82 29.873 14.092 4.289 1.00 0.00 H new ATOM 1322 N ASP A 83 28.244 15.332 1.149 1.00 0.00 N ATOM 1323 CA ASP A 83 28.745 16.555 0.539 1.00 0.00 C ATOM 1324 C ASP A 83 28.010 17.759 1.121 1.00 0.00 C ATOM 1325 O ASP A 83 28.450 18.903 0.994 1.00 0.00 O ATOM 1326 CB ASP A 83 28.565 16.501 -0.980 1.00 0.00 C ATOM 1327 CG ASP A 83 29.255 17.647 -1.691 1.00 0.00 C ATOM 1328 OD1 ASP A 83 30.503 17.654 -1.732 1.00 0.00 O ATOM 1329 OD2 ASP A 83 28.560 18.534 -2.225 1.00 0.00 O ATOM 0 H ASP A 83 27.596 14.805 0.563 1.00 0.00 H new ATOM 0 HA ASP A 83 29.809 16.652 0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 83 28.959 15.556 -1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 83 27.501 16.520 -1.217 1.00 0.00 H new ATOM 1334 N PHE A 84 26.889 17.482 1.773 1.00 0.00 N ATOM 1335 CA PHE A 84 26.098 18.512 2.423 1.00 0.00 C ATOM 1336 C PHE A 84 26.357 18.464 3.920 1.00 0.00 C ATOM 1337 O PHE A 84 26.253 17.404 4.539 1.00 0.00 O ATOM 1338 CB PHE A 84 24.612 18.300 2.135 1.00 0.00 C ATOM 1339 CG PHE A 84 24.324 18.017 0.690 1.00 0.00 C ATOM 1340 CD1 PHE A 84 24.376 19.029 -0.254 1.00 0.00 C ATOM 1341 CD2 PHE A 84 24.017 16.731 0.273 1.00 0.00 C ATOM 1342 CE1 PHE A 84 24.124 18.765 -1.585 1.00 0.00 C ATOM 1343 CE2 PHE A 84 23.767 16.463 -1.057 1.00 0.00 C ATOM 1344 CZ PHE A 84 23.822 17.480 -1.986 1.00 0.00 C ATOM 0 H PHE A 84 26.506 16.541 1.865 1.00 0.00 H new ATOM 0 HA PHE A 84 26.384 19.490 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 84 24.246 17.471 2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 84 24.059 19.188 2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 84 24.616 20.036 0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 84 23.973 15.931 0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 84 24.163 19.563 -2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 84 23.528 15.457 -1.370 1.00 0.00 H new ATOM 0 HZ PHE A 84 23.629 17.271 -3.028 1.00 0.00 H new ATOM 1354 N LYS A 85 26.697 19.602 4.499 1.00 0.00 N ATOM 1355 CA LYS A 85 27.110 19.649 5.895 1.00 0.00 C ATOM 1356 C LYS A 85 25.902 19.743 6.822 1.00 0.00 C ATOM 1357 O LYS A 85 25.961 19.332 7.982 1.00 0.00 O ATOM 1358 CB LYS A 85 28.038 20.837 6.124 1.00 0.00 C ATOM 1359 CG LYS A 85 29.073 20.597 7.208 1.00 0.00 C ATOM 1360 CD LYS A 85 29.906 21.840 7.460 1.00 0.00 C ATOM 1361 CE LYS A 85 29.112 22.896 8.208 1.00 0.00 C ATOM 1362 NZ LYS A 85 28.837 22.483 9.609 1.00 0.00 N ATOM 0 H LYS A 85 26.696 20.506 4.027 1.00 0.00 H new ATOM 0 HA LYS A 85 27.643 18.726 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 85 28.549 21.074 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 85 27.440 21.709 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 85 28.574 20.298 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 85 29.724 19.773 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 85 30.793 21.575 8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 85 30.251 22.247 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 85 29.664 23.836 8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 85 28.170 23.079 7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 28.558 23.315 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 28.067 21.785 9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 29.693 22.060 10.021 1.00 0.00 H new ATOM 1376 N ASN A 86 24.809 20.286 6.313 1.00 0.00 N ATOM 1377 CA ASN A 86 23.597 20.429 7.104 1.00 0.00 C ATOM 1378 C ASN A 86 22.415 19.792 6.382 1.00 0.00 C ATOM 1379 O ASN A 86 22.525 19.413 5.216 1.00 0.00 O ATOM 1380 CB ASN A 86 23.328 21.909 7.427 1.00 0.00 C ATOM 1381 CG ASN A 86 23.169 22.785 6.195 1.00 0.00 C ATOM 1382 OD1 ASN A 86 22.613 22.369 5.180 1.00 0.00 O ATOM 1383 ND2 ASN A 86 23.676 24.006 6.274 1.00 0.00 N ATOM 0 H ASN A 86 24.735 20.635 5.357 1.00 0.00 H new ATOM 0 HA ASN A 86 23.734 19.906 8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 86 22.424 21.981 8.032 1.00 0.00 H new ATOM 0 HB3 ASN A 86 24.148 22.294 8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 86 23.612 24.637 5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 86 24.130 24.315 7.134 1.00 0.00 H new ATOM 1390 N ALA A 87 21.291 19.660 7.071 1.00 0.00 N ATOM 1391 CA ALA A 87 20.121 19.007 6.496 1.00 0.00 C ATOM 1392 C ALA A 87 19.407 19.922 5.507 1.00 0.00 C ATOM 1393 O ALA A 87 18.636 19.456 4.665 1.00 0.00 O ATOM 1394 CB ALA A 87 19.169 18.563 7.593 1.00 0.00 C ATOM 0 H ALA A 87 21.163 19.995 8.026 1.00 0.00 H new ATOM 0 HA ALA A 87 20.462 18.127 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 87 18.301 18.077 7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.678 17.861 8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 87 18.844 19.431 8.166 1.00 0.00 H new ATOM 1400 N ASP A 88 19.694 21.214 5.602 1.00 0.00 N ATOM 1401 CA ASP A 88 19.060 22.214 4.750 1.00 0.00 C ATOM 1402 C ASP A 88 19.469 22.025 3.292 1.00 0.00 C ATOM 1403 O ASP A 88 18.618 21.976 2.399 1.00 0.00 O ATOM 1404 CB ASP A 88 19.436 23.619 5.227 1.00 0.00 C ATOM 1405 CG ASP A 88 18.722 24.708 4.455 1.00 0.00 C ATOM 1406 OD1 ASP A 88 17.596 25.081 4.845 1.00 0.00 O ATOM 1407 OD2 ASP A 88 19.278 25.203 3.460 1.00 0.00 O ATOM 0 H ASP A 88 20.367 21.597 6.266 1.00 0.00 H new ATOM 0 HA ASP A 88 17.979 22.090 4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 88 19.198 23.714 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.513 23.756 5.129 1.00 0.00 H new ATOM 1412 N GLU A 89 20.774 21.898 3.064 1.00 0.00 N ATOM 1413 CA GLU A 89 21.309 21.667 1.722 1.00 0.00 C ATOM 1414 C GLU A 89 20.815 20.337 1.163 1.00 0.00 C ATOM 1415 O GLU A 89 20.610 20.192 -0.044 1.00 0.00 O ATOM 1416 CB GLU A 89 22.837 21.677 1.756 1.00 0.00 C ATOM 1417 CG GLU A 89 23.433 23.020 2.135 1.00 0.00 C ATOM 1418 CD GLU A 89 23.222 24.078 1.071 1.00 0.00 C ATOM 1419 OE1 GLU A 89 24.047 24.150 0.138 1.00 0.00 O ATOM 1420 OE2 GLU A 89 22.245 24.848 1.171 1.00 0.00 O ATOM 0 H GLU A 89 21.484 21.951 3.794 1.00 0.00 H new ATOM 0 HA GLU A 89 20.958 22.469 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 89 23.180 20.925 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 89 23.215 21.386 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 89 22.988 23.359 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 89 24.501 22.900 2.315 1.00 0.00 H new ATOM 1427 N ARG A 90 20.620 19.368 2.051 1.00 0.00 N ATOM 1428 CA ARG A 90 20.121 18.057 1.655 1.00 0.00 C ATOM 1429 C ARG A 90 18.696 18.180 1.124 1.00 0.00 C ATOM 1430 O ARG A 90 18.328 17.526 0.152 1.00 0.00 O ATOM 1431 CB ARG A 90 20.150 17.081 2.833 1.00 0.00 C ATOM 1432 CG ARG A 90 21.480 17.035 3.560 1.00 0.00 C ATOM 1433 CD ARG A 90 21.443 16.047 4.714 1.00 0.00 C ATOM 1434 NE ARG A 90 22.487 16.316 5.706 1.00 0.00 N ATOM 1435 CZ ARG A 90 23.587 15.580 5.862 1.00 0.00 C ATOM 1436 NH1 ARG A 90 23.857 14.582 5.031 1.00 0.00 N ATOM 1437 NH2 ARG A 90 24.436 15.861 6.842 1.00 0.00 N ATOM 0 H ARG A 90 20.800 19.466 3.050 1.00 0.00 H new ATOM 0 HA ARG A 90 20.770 17.669 0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.369 17.358 3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.911 16.081 2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 90 22.269 16.754 2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 90 21.726 18.028 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.466 16.090 5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 90 21.563 15.035 4.328 1.00 0.00 H new ATOM 0 HE ARG A 90 22.363 17.122 6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 90 23.220 14.371 4.263 1.00 0.00 H new ATOM 0 HH12 ARG A 90 24.702 14.025 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 90 24.246 16.639 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 90 25.279 15.299 6.964 1.00 0.00 H new ATOM 1451 N ILE A 91 17.901 19.019 1.779 1.00 0.00 N ATOM 1452 CA ILE A 91 16.539 19.291 1.337 1.00 0.00 C ATOM 1453 C ILE A 91 16.553 19.941 -0.041 1.00 0.00 C ATOM 1454 O ILE A 91 15.831 19.516 -0.941 1.00 0.00 O ATOM 1455 CB ILE A 91 15.789 20.207 2.335 1.00 0.00 C ATOM 1456 CG1 ILE A 91 15.509 19.461 3.637 1.00 0.00 C ATOM 1457 CG2 ILE A 91 14.483 20.711 1.735 1.00 0.00 C ATOM 1458 CD1 ILE A 91 15.136 20.365 4.790 1.00 0.00 C ATOM 0 H ILE A 91 18.178 19.524 2.621 1.00 0.00 H new ATOM 0 HA ILE A 91 16.013 18.338 1.287 1.00 0.00 H new ATOM 0 HB ILE A 91 16.426 21.065 2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.701 18.748 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 91 16.392 18.884 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 91 13.975 21.352 2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 91 14.694 21.279 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 91 13.844 19.863 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.952 19.763 5.680 1.00 0.00 H new ATOM 0 HD12 ILE A 91 15.952 21.061 4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.235 20.924 4.537 1.00 0.00 H new ATOM 1470 N ALA A 92 17.402 20.950 -0.200 1.00 0.00 N ATOM 1471 CA ALA A 92 17.510 21.682 -1.458 1.00 0.00 C ATOM 1472 C ALA A 92 17.862 20.756 -2.619 1.00 0.00 C ATOM 1473 O ALA A 92 17.332 20.903 -3.723 1.00 0.00 O ATOM 1474 CB ALA A 92 18.543 22.790 -1.332 1.00 0.00 C ATOM 0 H ALA A 92 18.030 21.282 0.532 1.00 0.00 H new ATOM 0 HA ALA A 92 16.537 22.124 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.615 23.329 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 92 18.243 23.479 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 92 19.513 22.357 -1.086 1.00 0.00 H new ATOM 1480 N TYR A 93 18.749 19.799 -2.367 1.00 0.00 N ATOM 1481 CA TYR A 93 19.153 18.851 -3.398 1.00 0.00 C ATOM 1482 C TYR A 93 17.984 17.948 -3.777 1.00 0.00 C ATOM 1483 O TYR A 93 17.720 17.722 -4.956 1.00 0.00 O ATOM 1484 CB TYR A 93 20.338 18.005 -2.921 1.00 0.00 C ATOM 1485 CG TYR A 93 21.031 17.240 -4.032 1.00 0.00 C ATOM 1486 CD1 TYR A 93 22.056 17.829 -4.761 1.00 0.00 C ATOM 1487 CD2 TYR A 93 20.664 15.938 -4.353 1.00 0.00 C ATOM 1488 CE1 TYR A 93 22.698 17.146 -5.774 1.00 0.00 C ATOM 1489 CE2 TYR A 93 21.302 15.247 -5.368 1.00 0.00 C ATOM 1490 CZ TYR A 93 22.318 15.858 -6.076 1.00 0.00 C ATOM 1491 OH TYR A 93 22.958 15.180 -7.087 1.00 0.00 O ATOM 0 H TYR A 93 19.200 19.660 -1.463 1.00 0.00 H new ATOM 0 HA TYR A 93 19.462 19.415 -4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.064 18.656 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.988 17.298 -2.169 1.00 0.00 H new ATOM 0 HD1 TYR A 93 22.356 18.841 -4.531 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.869 15.459 -3.802 1.00 0.00 H new ATOM 0 HE1 TYR A 93 23.495 17.620 -6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.007 14.235 -5.605 1.00 0.00 H new ATOM 0 HH TYR A 93 22.573 14.283 -7.174 1.00 0.00 H new ATOM 1501 N ILE A 94 17.276 17.440 -2.775 1.00 0.00 N ATOM 1502 CA ILE A 94 16.140 16.563 -3.021 1.00 0.00 C ATOM 1503 C ILE A 94 15.012 17.329 -3.716 1.00 0.00 C ATOM 1504 O ILE A 94 14.369 16.809 -4.628 1.00 0.00 O ATOM 1505 CB ILE A 94 15.611 15.916 -1.716 1.00 0.00 C ATOM 1506 CG1 ILE A 94 16.730 15.127 -1.017 1.00 0.00 C ATOM 1507 CG2 ILE A 94 14.430 15.001 -2.020 1.00 0.00 C ATOM 1508 CD1 ILE A 94 16.334 14.536 0.327 1.00 0.00 C ATOM 0 H ILE A 94 17.468 17.620 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 94 16.489 15.762 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 94 15.275 16.709 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.054 14.320 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 94 17.587 15.785 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.069 14.553 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.629 15.581 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.746 14.214 -2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.181 13.996 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 94 16.039 15.338 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 94 15.498 13.850 0.191 1.00 0.00 H new ATOM 1520 N LEU A 95 14.802 18.578 -3.306 1.00 0.00 N ATOM 1521 CA LEU A 95 13.754 19.415 -3.890 1.00 0.00 C ATOM 1522 C LEU A 95 14.034 19.735 -5.354 1.00 0.00 C ATOM 1523 O LEU A 95 13.108 19.931 -6.140 1.00 0.00 O ATOM 1524 CB LEU A 95 13.592 20.720 -3.110 1.00 0.00 C ATOM 1525 CG LEU A 95 13.022 20.578 -1.700 1.00 0.00 C ATOM 1526 CD1 LEU A 95 12.836 21.949 -1.071 1.00 0.00 C ATOM 1527 CD2 LEU A 95 11.704 19.818 -1.729 1.00 0.00 C ATOM 0 H LEU A 95 15.343 19.034 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 95 12.828 18.842 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 95 14.566 21.205 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 95 12.943 21.385 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 95 13.728 20.010 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.429 21.836 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.798 22.458 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 95 12.147 22.537 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.314 19.727 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 95 10.986 20.358 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 95 11.866 18.824 -2.146 1.00 0.00 H new ATOM 1539 N LYS A 96 15.299 19.803 -5.726 1.00 0.00 N ATOM 1540 CA LYS A 96 15.647 20.085 -7.108 1.00 0.00 C ATOM 1541 C LYS A 96 15.537 18.820 -7.950 1.00 0.00 C ATOM 1542 O LYS A 96 15.138 18.860 -9.113 1.00 0.00 O ATOM 1543 CB LYS A 96 17.056 20.670 -7.207 1.00 0.00 C ATOM 1544 CG LYS A 96 17.428 21.086 -8.617 1.00 0.00 C ATOM 1545 CD LYS A 96 18.714 21.883 -8.655 1.00 0.00 C ATOM 1546 CE LYS A 96 19.024 22.348 -10.069 1.00 0.00 C ATOM 1547 NZ LYS A 96 17.906 23.138 -10.654 1.00 0.00 N ATOM 0 H LYS A 96 16.094 19.669 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 96 14.944 20.824 -7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 96 17.132 21.534 -6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.775 19.933 -6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 96 17.534 20.198 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 96 16.621 21.681 -9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 96 18.631 22.746 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 96 19.536 21.273 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 96 19.930 22.953 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 96 19.225 21.482 -10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.259 23.697 -11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.160 22.493 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.517 23.777 -9.931 1.00 0.00 H new ATOM 1561 N GLN A 97 15.867 17.691 -7.347 1.00 0.00 N ATOM 1562 CA GLN A 97 15.818 16.416 -8.044 1.00 0.00 C ATOM 1563 C GLN A 97 14.385 15.911 -8.181 1.00 0.00 C ATOM 1564 O GLN A 97 14.057 15.235 -9.151 1.00 0.00 O ATOM 1565 CB GLN A 97 16.700 15.388 -7.337 1.00 0.00 C ATOM 1566 CG GLN A 97 18.124 15.331 -7.875 1.00 0.00 C ATOM 1567 CD GLN A 97 18.714 16.700 -8.175 1.00 0.00 C ATOM 1568 OE1 GLN A 97 18.607 17.203 -9.293 1.00 0.00 O ATOM 1569 NE2 GLN A 97 19.329 17.315 -7.182 1.00 0.00 N ATOM 0 H GLN A 97 16.172 17.631 -6.376 1.00 0.00 H new ATOM 0 HA GLN A 97 16.206 16.566 -9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 97 16.732 15.620 -6.273 1.00 0.00 H new ATOM 0 HB3 GLN A 97 16.244 14.403 -7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.758 14.822 -7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.136 14.731 -8.785 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.398 16.866 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 97 19.735 18.239 -7.328 1.00 0.00 H new ATOM 1578 N ILE A 98 13.527 16.249 -7.220 1.00 0.00 N ATOM 1579 CA ILE A 98 12.111 15.904 -7.318 1.00 0.00 C ATOM 1580 C ILE A 98 11.452 16.729 -8.426 1.00 0.00 C ATOM 1581 O ILE A 98 10.435 16.332 -8.998 1.00 0.00 O ATOM 1582 CB ILE A 98 11.358 16.114 -5.975 1.00 0.00 C ATOM 1583 CG1 ILE A 98 9.930 15.567 -6.068 1.00 0.00 C ATOM 1584 CG2 ILE A 98 11.329 17.582 -5.587 1.00 0.00 C ATOM 1585 CD1 ILE A 98 9.112 15.758 -4.805 1.00 0.00 C ATOM 0 H ILE A 98 13.784 16.756 -6.373 1.00 0.00 H new ATOM 0 HA ILE A 98 12.048 14.843 -7.560 1.00 0.00 H new ATOM 0 HB ILE A 98 11.897 15.566 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.418 16.055 -6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.974 14.503 -6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.796 17.698 -4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.349 17.949 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.821 18.154 -6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.114 15.344 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.599 15.245 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.034 16.822 -4.579 1.00 0.00 H new ATOM 1597 N ASP A 99 12.052 17.874 -8.729 1.00 0.00 N ATOM 1598 CA ASP A 99 11.601 18.721 -9.828 1.00 0.00 C ATOM 1599 C ASP A 99 11.951 18.082 -11.165 1.00 0.00 C ATOM 1600 O ASP A 99 11.144 18.064 -12.097 1.00 0.00 O ATOM 1601 CB ASP A 99 12.246 20.107 -9.727 1.00 0.00 C ATOM 1602 CG ASP A 99 12.055 20.941 -10.980 1.00 0.00 C ATOM 1603 OD1 ASP A 99 10.960 21.515 -11.160 1.00 0.00 O ATOM 1604 OD2 ASP A 99 13.005 21.038 -11.787 1.00 0.00 O ATOM 0 H ASP A 99 12.859 18.240 -8.224 1.00 0.00 H new ATOM 0 HA ASP A 99 10.518 18.829 -9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.822 20.638 -8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.312 19.992 -9.532 1.00 0.00 H new