USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 721 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 53 THR OG1 : rot 180:sc= -0.055 USER MOD Set 1.2: A 56 SER OG : rot 160:sc= 0.056 USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0.246 USER MOD Set 2.2: A 77 LYS NZ :NH3+ -140:sc= 0.272 (180deg=0) USER MOD Set 3.1: A 1 ALA N :NH3+ 162:sc= 1.23 (180deg=-0.00127) USER MOD Set 3.2: A 18 THR OG1 : rot -130:sc= 1.05 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 1.01 (180deg=0.917) USER MOD Single : A 29 SER OG : rot 79:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.12) USER MOD Single : A 42 CYS SG : rot 23:sc= -5.22! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.163 K(o=0.16,f=-7.8!) USER MOD Single : A 50 SER OG : rot -170:sc= 0.291 USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 1.28 (180deg=0.929) USER MOD Single : A 60 THR OG1 : rot 120:sc= 0.00106 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.12) USER MOD Single : A 68 SER OG : rot 180:sc= 0.023 USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.28) USER MOD Single : A 78 THR OG1 : rot -79:sc= 0.694 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 87 HIS : no HE2:sc= 1.03 K(o=1,f=-4.9!) USER MOD Single : A 88 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.26) USER MOD Single : A 89 HIS :FLIP no HE2:sc= 0.179 F(o=-0.77,f=0.18) USER MOD Single : A 90 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.212 0.944 -9.375 1.00 35.05 N ATOM 2 CA ALA A 1 3.259 0.776 -10.403 1.00 22.33 C ATOM 3 C ALA A 1 3.916 2.111 -10.724 1.00 52.32 C ATOM 4 O ALA A 1 3.368 2.919 -11.474 1.00 31.42 O ATOM 5 CB ALA A 1 2.678 0.151 -11.664 1.00 62.10 C ATOM 0 H1 ALA A 1 1.580 0.118 -9.385 1.00 35.05 H new ATOM 0 H2 ALA A 1 2.656 1.029 -8.438 1.00 35.05 H new ATOM 0 H3 ALA A 1 1.662 1.803 -9.577 1.00 35.05 H new ATOM 0 HA ALA A 1 4.021 0.105 -10.006 1.00 22.33 H new ATOM 0 HB1 ALA A 1 3.465 0.036 -12.409 1.00 62.10 H new ATOM 0 HB2 ALA A 1 2.258 -0.826 -11.426 1.00 62.10 H new ATOM 0 HB3 ALA A 1 1.894 0.795 -12.062 1.00 62.10 H new ATOM 13 N GLY A 2 5.083 2.340 -10.142 1.00 41.21 N ATOM 14 CA GLY A 2 5.796 3.576 -10.369 1.00 5.31 C ATOM 15 C GLY A 2 7.198 3.331 -10.877 1.00 22.52 C ATOM 16 O GLY A 2 7.405 3.128 -12.074 1.00 40.14 O ATOM 0 H GLY A 2 5.550 1.687 -9.513 1.00 41.21 H new ATOM 0 HA2 GLY A 2 5.249 4.184 -11.090 1.00 5.31 H new ATOM 0 HA3 GLY A 2 5.840 4.146 -9.441 1.00 5.31 H new ATOM 20 N GLU A 3 8.153 3.317 -9.965 1.00 71.42 N ATOM 21 CA GLU A 3 9.543 3.111 -10.326 1.00 24.44 C ATOM 22 C GLU A 3 10.144 2.019 -9.454 1.00 52.23 C ATOM 23 O GLU A 3 10.026 2.057 -8.229 1.00 54.32 O ATOM 24 CB GLU A 3 10.330 4.406 -10.157 1.00 44.24 C ATOM 25 CG GLU A 3 11.693 4.393 -10.829 1.00 23.54 C ATOM 26 CD GLU A 3 12.448 5.688 -10.619 1.00 41.13 C ATOM 27 OE1 GLU A 3 12.055 6.712 -11.219 1.00 53.34 O ATOM 28 OE2 GLU A 3 13.432 5.689 -9.853 1.00 63.12 O ATOM 0 H GLU A 3 7.990 3.446 -8.966 1.00 71.42 H new ATOM 0 HA GLU A 3 9.595 2.805 -11.371 1.00 24.44 H new ATOM 0 HB2 GLU A 3 9.744 5.231 -10.563 1.00 44.24 H new ATOM 0 HB3 GLU A 3 10.463 4.602 -9.093 1.00 44.24 H new ATOM 0 HG2 GLU A 3 12.282 3.564 -10.436 1.00 23.54 H new ATOM 0 HG3 GLU A 3 11.568 4.217 -11.897 1.00 23.54 H new ATOM 35 N ILE A 4 10.787 1.054 -10.083 1.00 62.40 N ATOM 36 CA ILE A 4 11.375 -0.056 -9.353 1.00 22.43 C ATOM 37 C ILE A 4 12.892 0.066 -9.343 1.00 61.11 C ATOM 38 O ILE A 4 13.489 0.671 -10.236 1.00 52.12 O ATOM 39 CB ILE A 4 10.989 -1.429 -9.950 1.00 13.33 C ATOM 40 CG1 ILE A 4 9.587 -1.383 -10.566 1.00 53.42 C ATOM 41 CG2 ILE A 4 11.054 -2.507 -8.872 1.00 41.52 C ATOM 42 CD1 ILE A 4 9.170 -2.676 -11.238 1.00 60.14 C ATOM 0 H ILE A 4 10.916 1.015 -11.094 1.00 62.40 H new ATOM 0 HA ILE A 4 10.981 -0.006 -8.338 1.00 22.43 H new ATOM 0 HB ILE A 4 11.701 -1.671 -10.739 1.00 13.33 H new ATOM 0 HG12 ILE A 4 8.865 -1.141 -9.786 1.00 53.42 H new ATOM 0 HG13 ILE A 4 9.548 -0.576 -11.297 1.00 53.42 H new ATOM 0 HG21 ILE A 4 10.780 -3.470 -9.303 1.00 41.52 H new ATOM 0 HG22 ILE A 4 12.067 -2.563 -8.474 1.00 41.52 H new ATOM 0 HG23 ILE A 4 10.361 -2.260 -8.068 1.00 41.52 H new ATOM 0 HD11 ILE A 4 8.167 -2.565 -11.650 1.00 60.14 H new ATOM 0 HD12 ILE A 4 9.868 -2.910 -12.042 1.00 60.14 H new ATOM 0 HD13 ILE A 4 9.175 -3.484 -10.507 1.00 60.14 H new ATOM 54 N GLY A 5 13.499 -0.528 -8.339 1.00 11.04 N ATOM 55 CA GLY A 5 14.933 -0.457 -8.162 1.00 41.45 C ATOM 56 C GLY A 5 15.294 -0.830 -6.750 1.00 14.31 C ATOM 57 O GLY A 5 16.052 -0.135 -6.074 1.00 44.44 O ATOM 0 H GLY A 5 13.015 -1.072 -7.625 1.00 11.04 H new ATOM 0 HA2 GLY A 5 15.428 -1.129 -8.863 1.00 41.45 H new ATOM 0 HA3 GLY A 5 15.286 0.550 -8.383 1.00 41.45 H new ATOM 61 N PHE A 6 14.715 -1.924 -6.299 1.00 24.32 N ATOM 62 CA PHE A 6 14.829 -2.336 -4.913 1.00 73.42 C ATOM 63 C PHE A 6 15.626 -3.626 -4.792 1.00 65.13 C ATOM 64 O PHE A 6 15.851 -4.321 -5.781 1.00 44.51 O ATOM 65 CB PHE A 6 13.434 -2.526 -4.314 1.00 12.22 C ATOM 66 CG PHE A 6 12.539 -1.332 -4.490 1.00 14.44 C ATOM 67 CD1 PHE A 6 12.790 -0.153 -3.808 1.00 35.20 C ATOM 68 CD2 PHE A 6 11.451 -1.388 -5.347 1.00 62.31 C ATOM 69 CE1 PHE A 6 11.973 0.948 -3.979 1.00 22.02 C ATOM 70 CE2 PHE A 6 10.629 -0.290 -5.520 1.00 31.33 C ATOM 71 CZ PHE A 6 10.893 0.879 -4.836 1.00 62.41 C ATOM 0 H PHE A 6 14.155 -2.550 -6.878 1.00 24.32 H new ATOM 0 HA PHE A 6 15.357 -1.556 -4.364 1.00 73.42 H new ATOM 0 HB2 PHE A 6 12.964 -3.394 -4.776 1.00 12.22 H new ATOM 0 HB3 PHE A 6 13.530 -2.744 -3.250 1.00 12.22 H new ATOM 0 HD1 PHE A 6 13.633 -0.094 -3.136 1.00 35.20 H new ATOM 0 HD2 PHE A 6 11.243 -2.300 -5.886 1.00 62.31 H new ATOM 0 HE1 PHE A 6 12.179 1.862 -3.442 1.00 22.02 H new ATOM 0 HE2 PHE A 6 9.783 -0.347 -6.189 1.00 31.33 H new ATOM 0 HZ PHE A 6 10.255 1.740 -4.971 1.00 62.41 H new ATOM 81 N ILE A 7 16.037 -3.936 -3.569 1.00 22.24 N ATOM 82 CA ILE A 7 16.812 -5.137 -3.287 1.00 62.04 C ATOM 83 C ILE A 7 16.013 -6.389 -3.636 1.00 70.51 C ATOM 84 O ILE A 7 16.494 -7.268 -4.349 1.00 53.54 O ATOM 85 CB ILE A 7 17.215 -5.201 -1.798 1.00 72.44 C ATOM 86 CG1 ILE A 7 17.953 -3.922 -1.388 1.00 4.23 C ATOM 87 CG2 ILE A 7 18.083 -6.426 -1.532 1.00 30.31 C ATOM 88 CD1 ILE A 7 18.242 -3.838 0.096 1.00 45.31 C ATOM 0 H ILE A 7 15.843 -3.364 -2.747 1.00 22.24 H new ATOM 0 HA ILE A 7 17.712 -5.094 -3.901 1.00 62.04 H new ATOM 0 HB ILE A 7 16.309 -5.284 -1.198 1.00 72.44 H new ATOM 0 HG12 ILE A 7 18.893 -3.863 -1.937 1.00 4.23 H new ATOM 0 HG13 ILE A 7 17.357 -3.058 -1.683 1.00 4.23 H new ATOM 0 HG21 ILE A 7 18.358 -6.455 -0.478 1.00 30.31 H new ATOM 0 HG22 ILE A 7 17.527 -7.328 -1.787 1.00 30.31 H new ATOM 0 HG23 ILE A 7 18.986 -6.372 -2.141 1.00 30.31 H new ATOM 0 HD11 ILE A 7 18.766 -2.907 0.313 1.00 45.31 H new ATOM 0 HD12 ILE A 7 17.304 -3.865 0.651 1.00 45.31 H new ATOM 0 HD13 ILE A 7 18.864 -4.682 0.394 1.00 45.31 H new ATOM 100 N ILE A 8 14.788 -6.453 -3.128 1.00 22.11 N ATOM 101 CA ILE A 8 13.917 -7.594 -3.373 1.00 11.21 C ATOM 102 C ILE A 8 13.496 -7.643 -4.835 1.00 53.51 C ATOM 103 O ILE A 8 13.084 -6.633 -5.410 1.00 33.11 O ATOM 104 CB ILE A 8 12.663 -7.549 -2.471 1.00 72.53 C ATOM 105 CG1 ILE A 8 13.082 -7.578 -1.004 1.00 51.32 C ATOM 106 CG2 ILE A 8 11.731 -8.714 -2.782 1.00 60.30 C ATOM 107 CD1 ILE A 8 11.929 -7.413 -0.041 1.00 33.51 C ATOM 0 H ILE A 8 14.376 -5.726 -2.543 1.00 22.11 H new ATOM 0 HA ILE A 8 14.482 -8.494 -3.132 1.00 11.21 H new ATOM 0 HB ILE A 8 12.122 -6.623 -2.669 1.00 72.53 H new ATOM 0 HG12 ILE A 8 13.585 -8.523 -0.797 1.00 51.32 H new ATOM 0 HG13 ILE A 8 13.809 -6.785 -0.827 1.00 51.32 H new ATOM 0 HG21 ILE A 8 10.855 -8.662 -2.135 1.00 60.30 H new ATOM 0 HG22 ILE A 8 11.416 -8.660 -3.824 1.00 60.30 H new ATOM 0 HG23 ILE A 8 12.254 -9.655 -2.609 1.00 60.30 H new ATOM 0 HD11 ILE A 8 12.303 -7.444 0.983 1.00 33.51 H new ATOM 0 HD12 ILE A 8 11.440 -6.456 -0.220 1.00 33.51 H new ATOM 0 HD13 ILE A 8 11.212 -8.220 -0.190 1.00 33.51 H new ATOM 119 N LYS A 9 13.617 -8.820 -5.427 1.00 50.12 N ATOM 120 CA LYS A 9 13.261 -9.027 -6.822 1.00 64.54 C ATOM 121 C LYS A 9 11.753 -9.205 -6.972 1.00 34.30 C ATOM 122 O LYS A 9 11.007 -9.088 -5.999 1.00 5.21 O ATOM 123 CB LYS A 9 14.002 -10.250 -7.363 1.00 63.52 C ATOM 124 CG LYS A 9 13.712 -11.527 -6.588 1.00 72.14 C ATOM 125 CD LYS A 9 14.629 -12.659 -7.013 1.00 71.34 C ATOM 126 CE LYS A 9 14.347 -13.922 -6.219 1.00 23.12 C ATOM 127 NZ LYS A 9 15.328 -14.995 -6.519 1.00 3.24 N ATOM 0 H LYS A 9 13.963 -9.656 -4.957 1.00 50.12 H new ATOM 0 HA LYS A 9 13.555 -8.149 -7.397 1.00 64.54 H new ATOM 0 HB2 LYS A 9 13.728 -10.398 -8.408 1.00 63.52 H new ATOM 0 HB3 LYS A 9 15.074 -10.055 -7.339 1.00 63.52 H new ATOM 0 HG2 LYS A 9 13.833 -11.341 -5.521 1.00 72.14 H new ATOM 0 HG3 LYS A 9 12.674 -11.821 -6.745 1.00 72.14 H new ATOM 0 HD2 LYS A 9 14.497 -12.858 -8.077 1.00 71.34 H new ATOM 0 HD3 LYS A 9 15.668 -12.362 -6.871 1.00 71.34 H new ATOM 0 HE2 LYS A 9 14.373 -13.694 -5.153 1.00 23.12 H new ATOM 0 HE3 LYS A 9 13.341 -14.276 -6.445 1.00 23.12 H new ATOM 0 HZ1 LYS A 9 15.101 -15.840 -5.957 1.00 3.24 H new ATOM 0 HZ2 LYS A 9 15.286 -15.231 -7.531 1.00 3.24 H new ATOM 0 HZ3 LYS A 9 16.285 -14.667 -6.279 1.00 3.24 H new ATOM 141 N GLU A 10 11.311 -9.486 -8.188 1.00 0.21 N ATOM 142 CA GLU A 10 9.902 -9.652 -8.466 1.00 72.41 C ATOM 143 C GLU A 10 9.421 -11.033 -8.029 1.00 42.20 C ATOM 144 O GLU A 10 10.207 -11.859 -7.556 1.00 70.45 O ATOM 145 CB GLU A 10 9.657 -9.459 -9.958 1.00 61.12 C ATOM 146 CG GLU A 10 10.105 -8.103 -10.485 1.00 34.33 C ATOM 147 CD GLU A 10 9.794 -7.916 -11.955 1.00 24.40 C ATOM 148 OE1 GLU A 10 10.475 -8.539 -12.799 1.00 53.13 O ATOM 149 OE2 GLU A 10 8.870 -7.145 -12.277 1.00 34.34 O ATOM 0 H GLU A 10 11.917 -9.604 -9.000 1.00 0.21 H new ATOM 0 HA GLU A 10 9.341 -8.906 -7.903 1.00 72.41 H new ATOM 0 HB2 GLU A 10 10.180 -10.242 -10.507 1.00 61.12 H new ATOM 0 HB3 GLU A 10 8.593 -9.584 -10.161 1.00 61.12 H new ATOM 0 HG2 GLU A 10 9.617 -7.315 -9.911 1.00 34.33 H new ATOM 0 HG3 GLU A 10 11.178 -7.993 -10.328 1.00 34.33 H new ATOM 156 N GLY A 11 8.132 -11.275 -8.184 1.00 43.53 N ATOM 157 CA GLY A 11 7.568 -12.554 -7.823 1.00 71.01 C ATOM 158 C GLY A 11 6.060 -12.498 -7.746 1.00 45.03 C ATOM 159 O GLY A 11 5.476 -11.414 -7.720 1.00 22.30 O ATOM 0 H GLY A 11 7.462 -10.603 -8.556 1.00 43.53 H new ATOM 0 HA2 GLY A 11 7.867 -13.304 -8.556 1.00 71.01 H new ATOM 0 HA3 GLY A 11 7.970 -12.870 -6.861 1.00 71.01 H new ATOM 163 N ASP A 12 5.427 -13.662 -7.698 1.00 54.23 N ATOM 164 CA ASP A 12 3.971 -13.731 -7.656 1.00 13.22 C ATOM 165 C ASP A 12 3.477 -13.568 -6.222 1.00 73.50 C ATOM 166 O ASP A 12 2.298 -13.319 -5.982 1.00 30.31 O ATOM 167 CB ASP A 12 3.466 -15.050 -8.248 1.00 35.52 C ATOM 168 CG ASP A 12 1.965 -15.039 -8.485 1.00 55.12 C ATOM 169 OD1 ASP A 12 1.488 -14.168 -9.248 1.00 24.32 O ATOM 170 OD2 ASP A 12 1.256 -15.898 -7.919 1.00 1.20 O ATOM 0 H ASP A 12 5.895 -14.568 -7.687 1.00 54.23 H new ATOM 0 HA ASP A 12 3.573 -12.916 -8.261 1.00 13.22 H new ATOM 0 HB2 ASP A 12 3.979 -15.243 -9.190 1.00 35.52 H new ATOM 0 HB3 ASP A 12 3.719 -15.869 -7.574 1.00 35.52 H new ATOM 175 N GLU A 13 4.394 -13.696 -5.271 1.00 13.31 N ATOM 176 CA GLU A 13 4.078 -13.483 -3.863 1.00 4.35 C ATOM 177 C GLU A 13 4.464 -12.067 -3.465 1.00 11.24 C ATOM 178 O GLU A 13 4.216 -11.623 -2.342 1.00 3.35 O ATOM 179 CB GLU A 13 4.800 -14.503 -2.965 1.00 55.23 C ATOM 180 CG GLU A 13 6.315 -14.344 -2.911 1.00 32.13 C ATOM 181 CD GLU A 13 6.998 -14.721 -4.207 1.00 43.11 C ATOM 182 OE1 GLU A 13 7.360 -15.898 -4.374 1.00 2.34 O ATOM 183 OE2 GLU A 13 7.166 -13.843 -5.073 1.00 61.42 O ATOM 0 H GLU A 13 5.366 -13.947 -5.450 1.00 13.31 H new ATOM 0 HA GLU A 13 3.006 -13.623 -3.726 1.00 4.35 H new ATOM 0 HB2 GLU A 13 4.403 -14.421 -1.953 1.00 55.23 H new ATOM 0 HB3 GLU A 13 4.566 -15.507 -3.318 1.00 55.23 H new ATOM 0 HG2 GLU A 13 6.557 -13.310 -2.667 1.00 32.13 H new ATOM 0 HG3 GLU A 13 6.711 -14.962 -2.105 1.00 32.13 H new ATOM 190 N VAL A 14 5.077 -11.366 -4.404 1.00 32.22 N ATOM 191 CA VAL A 14 5.493 -9.995 -4.195 1.00 63.51 C ATOM 192 C VAL A 14 4.417 -9.035 -4.691 1.00 2.10 C ATOM 193 O VAL A 14 4.002 -9.094 -5.850 1.00 31.22 O ATOM 194 CB VAL A 14 6.820 -9.700 -4.922 1.00 75.44 C ATOM 195 CG1 VAL A 14 7.205 -8.238 -4.772 1.00 2.32 C ATOM 196 CG2 VAL A 14 7.930 -10.599 -4.401 1.00 34.00 C ATOM 0 H VAL A 14 5.299 -11.733 -5.330 1.00 32.22 H new ATOM 0 HA VAL A 14 5.643 -9.852 -3.125 1.00 63.51 H new ATOM 0 HB VAL A 14 6.678 -9.909 -5.982 1.00 75.44 H new ATOM 0 HG11 VAL A 14 8.144 -8.054 -5.293 1.00 2.32 H new ATOM 0 HG12 VAL A 14 6.423 -7.610 -5.200 1.00 2.32 H new ATOM 0 HG13 VAL A 14 7.324 -8.000 -3.715 1.00 2.32 H new ATOM 0 HG21 VAL A 14 8.858 -10.374 -4.928 1.00 34.00 H new ATOM 0 HG22 VAL A 14 8.068 -10.426 -3.334 1.00 34.00 H new ATOM 0 HG23 VAL A 14 7.662 -11.642 -4.568 1.00 34.00 H new ATOM 206 N ALA A 15 3.957 -8.164 -3.805 1.00 35.45 N ATOM 207 CA ALA A 15 2.969 -7.163 -4.158 1.00 0.34 C ATOM 208 C ALA A 15 3.599 -5.781 -4.163 1.00 30.54 C ATOM 209 O ALA A 15 4.056 -5.288 -3.128 1.00 31.54 O ATOM 210 CB ALA A 15 1.792 -7.204 -3.193 1.00 3.21 C ATOM 0 H ALA A 15 4.257 -8.133 -2.830 1.00 35.45 H new ATOM 0 HA ALA A 15 2.599 -7.384 -5.159 1.00 0.34 H new ATOM 0 HB1 ALA A 15 1.063 -6.445 -3.476 1.00 3.21 H new ATOM 0 HB2 ALA A 15 1.325 -8.188 -3.231 1.00 3.21 H new ATOM 0 HB3 ALA A 15 2.145 -7.008 -2.180 1.00 3.21 H new ATOM 216 N ASP A 16 3.652 -5.177 -5.335 1.00 20.02 N ATOM 217 CA ASP A 16 4.182 -3.836 -5.476 1.00 73.30 C ATOM 218 C ASP A 16 3.066 -2.836 -5.267 1.00 52.42 C ATOM 219 O ASP A 16 1.997 -2.946 -5.873 1.00 34.34 O ATOM 220 CB ASP A 16 4.793 -3.621 -6.860 1.00 65.34 C ATOM 221 CG ASP A 16 5.773 -4.706 -7.261 1.00 73.24 C ATOM 222 OD1 ASP A 16 6.963 -4.602 -6.907 1.00 72.14 O ATOM 223 OD2 ASP A 16 5.350 -5.666 -7.943 1.00 55.14 O ATOM 0 H ASP A 16 3.332 -5.598 -6.207 1.00 20.02 H new ATOM 0 HA ASP A 16 4.965 -3.698 -4.730 1.00 73.30 H new ATOM 0 HB2 ASP A 16 3.993 -3.573 -7.599 1.00 65.34 H new ATOM 0 HB3 ASP A 16 5.302 -2.657 -6.879 1.00 65.34 H new ATOM 228 N VAL A 17 3.308 -1.873 -4.408 1.00 42.23 N ATOM 229 CA VAL A 17 2.315 -0.862 -4.094 1.00 52.34 C ATOM 230 C VAL A 17 2.888 0.522 -4.328 1.00 62.31 C ATOM 231 O VAL A 17 4.046 0.796 -4.014 1.00 53.22 O ATOM 232 CB VAL A 17 1.832 -0.963 -2.630 1.00 42.14 C ATOM 233 CG1 VAL A 17 0.646 -0.042 -2.383 1.00 23.11 C ATOM 234 CG2 VAL A 17 1.478 -2.397 -2.269 1.00 54.11 C ATOM 0 H VAL A 17 4.191 -1.765 -3.908 1.00 42.23 H new ATOM 0 HA VAL A 17 1.462 -1.034 -4.751 1.00 52.34 H new ATOM 0 HB VAL A 17 2.652 -0.643 -1.987 1.00 42.14 H new ATOM 0 HG11 VAL A 17 0.325 -0.132 -1.345 1.00 23.11 H new ATOM 0 HG12 VAL A 17 0.938 0.989 -2.585 1.00 23.11 H new ATOM 0 HG13 VAL A 17 -0.176 -0.322 -3.042 1.00 23.11 H new ATOM 0 HG21 VAL A 17 1.141 -2.439 -1.233 1.00 54.11 H new ATOM 0 HG22 VAL A 17 0.682 -2.751 -2.924 1.00 54.11 H new ATOM 0 HG23 VAL A 17 2.357 -3.030 -2.391 1.00 54.11 H new ATOM 244 N THR A 18 2.084 1.381 -4.899 1.00 21.20 N ATOM 245 CA THR A 18 2.477 2.749 -5.134 1.00 75.22 C ATOM 246 C THR A 18 1.461 3.684 -4.499 1.00 21.41 C ATOM 247 O THR A 18 0.321 3.768 -4.950 1.00 61.45 O ATOM 248 CB THR A 18 2.588 3.024 -6.642 1.00 75.30 C ATOM 249 OG1 THR A 18 3.470 2.061 -7.240 1.00 21.33 O ATOM 250 CG2 THR A 18 3.111 4.427 -6.911 1.00 73.24 C ATOM 0 H THR A 18 1.141 1.154 -5.214 1.00 21.20 H new ATOM 0 HA THR A 18 3.454 2.922 -4.683 1.00 75.22 H new ATOM 0 HB THR A 18 1.592 2.942 -7.078 1.00 75.30 H new ATOM 0 HG1 THR A 18 4.136 2.524 -7.789 1.00 21.33 H new ATOM 0 HG21 THR A 18 3.178 4.590 -7.987 1.00 73.24 H new ATOM 0 HG22 THR A 18 2.431 5.159 -6.475 1.00 73.24 H new ATOM 0 HG23 THR A 18 4.099 4.539 -6.465 1.00 73.24 H new ATOM 258 N ILE A 19 1.871 4.361 -3.440 1.00 24.45 N ATOM 259 CA ILE A 19 0.984 5.270 -2.737 1.00 55.45 C ATOM 260 C ILE A 19 1.253 6.687 -3.201 1.00 31.23 C ATOM 261 O ILE A 19 2.408 7.088 -3.342 1.00 41.35 O ATOM 262 CB ILE A 19 1.174 5.201 -1.208 1.00 61.34 C ATOM 263 CG1 ILE A 19 1.252 3.744 -0.739 1.00 4.04 C ATOM 264 CG2 ILE A 19 0.036 5.926 -0.498 1.00 3.53 C ATOM 265 CD1 ILE A 19 1.553 3.594 0.738 1.00 63.32 C ATOM 0 H ILE A 19 2.811 4.298 -3.049 1.00 24.45 H new ATOM 0 HA ILE A 19 -0.040 4.973 -2.963 1.00 55.45 H new ATOM 0 HB ILE A 19 2.113 5.695 -0.956 1.00 61.34 H new ATOM 0 HG12 ILE A 19 0.306 3.250 -0.960 1.00 4.04 H new ATOM 0 HG13 ILE A 19 2.023 3.228 -1.312 1.00 4.04 H new ATOM 0 HG21 ILE A 19 0.185 5.868 0.580 1.00 3.53 H new ATOM 0 HG22 ILE A 19 0.022 6.971 -0.807 1.00 3.53 H new ATOM 0 HG23 ILE A 19 -0.913 5.457 -0.759 1.00 3.53 H new ATOM 0 HD11 ILE A 19 1.593 2.536 0.996 1.00 63.32 H new ATOM 0 HD12 ILE A 19 2.513 4.058 0.963 1.00 63.32 H new ATOM 0 HD13 ILE A 19 0.770 4.080 1.320 1.00 63.32 H new ATOM 277 N PHE A 20 0.196 7.435 -3.437 1.00 63.41 N ATOM 278 CA PHE A 20 0.321 8.781 -3.958 1.00 11.34 C ATOM 279 C PHE A 20 -0.585 9.750 -3.212 1.00 52.42 C ATOM 280 O PHE A 20 -1.719 9.418 -2.862 1.00 24.00 O ATOM 281 CB PHE A 20 0.025 8.807 -5.465 1.00 43.05 C ATOM 282 CG PHE A 20 -1.215 8.053 -5.872 1.00 72.30 C ATOM 283 CD1 PHE A 20 -2.450 8.683 -5.905 1.00 74.13 C ATOM 284 CD2 PHE A 20 -1.140 6.717 -6.234 1.00 64.35 C ATOM 285 CE1 PHE A 20 -3.584 7.991 -6.287 1.00 62.52 C ATOM 286 CE2 PHE A 20 -2.270 6.021 -6.616 1.00 53.10 C ATOM 287 CZ PHE A 20 -3.493 6.659 -6.643 1.00 60.35 C ATOM 0 H PHE A 20 -0.765 7.132 -3.275 1.00 63.41 H new ATOM 0 HA PHE A 20 1.350 9.105 -3.803 1.00 11.34 H new ATOM 0 HB2 PHE A 20 -0.075 9.844 -5.785 1.00 43.05 H new ATOM 0 HB3 PHE A 20 0.880 8.390 -5.997 1.00 43.05 H new ATOM 0 HD1 PHE A 20 -2.527 9.724 -5.630 1.00 74.13 H new ATOM 0 HD2 PHE A 20 -0.185 6.213 -6.217 1.00 64.35 H new ATOM 0 HE1 PHE A 20 -4.541 8.491 -6.307 1.00 62.52 H new ATOM 0 HE2 PHE A 20 -2.197 4.980 -6.893 1.00 53.10 H new ATOM 0 HZ PHE A 20 -4.378 6.118 -6.942 1.00 60.35 H new ATOM 297 N ALA A 21 -0.054 10.935 -2.958 1.00 40.41 N ATOM 298 CA ALA A 21 -0.774 12.000 -2.284 1.00 2.44 C ATOM 299 C ALA A 21 -0.001 13.297 -2.454 1.00 40.41 C ATOM 300 O ALA A 21 1.141 13.284 -2.907 1.00 54.32 O ATOM 301 CB ALA A 21 -0.971 11.679 -0.811 1.00 43.33 C ATOM 0 H ALA A 21 0.900 11.186 -3.218 1.00 40.41 H new ATOM 0 HA ALA A 21 -1.764 12.103 -2.728 1.00 2.44 H new ATOM 0 HB1 ALA A 21 -1.513 12.493 -0.330 1.00 43.33 H new ATOM 0 HB2 ALA A 21 -1.542 10.756 -0.713 1.00 43.33 H new ATOM 0 HB3 ALA A 21 0.001 11.557 -0.332 1.00 43.33 H new ATOM 307 N GLU A 22 -0.602 14.413 -2.082 1.00 3.54 N ATOM 308 CA GLU A 22 0.011 15.706 -2.322 1.00 14.15 C ATOM 309 C GLU A 22 0.971 16.119 -1.211 1.00 41.31 C ATOM 310 O GLU A 22 1.727 17.079 -1.370 1.00 0.22 O ATOM 311 CB GLU A 22 -1.070 16.757 -2.507 1.00 72.31 C ATOM 312 CG GLU A 22 -1.955 16.477 -3.707 1.00 74.14 C ATOM 313 CD GLU A 22 -1.169 16.332 -4.995 1.00 23.22 C ATOM 314 OE1 GLU A 22 -0.425 17.270 -5.358 1.00 65.31 O ATOM 315 OE2 GLU A 22 -1.297 15.283 -5.657 1.00 42.22 O ATOM 0 H GLU A 22 -1.508 14.450 -1.615 1.00 3.54 H new ATOM 0 HA GLU A 22 0.606 15.622 -3.232 1.00 14.15 H new ATOM 0 HB2 GLU A 22 -1.686 16.802 -1.609 1.00 72.31 H new ATOM 0 HB3 GLU A 22 -0.604 17.736 -2.624 1.00 72.31 H new ATOM 0 HG2 GLU A 22 -2.523 15.564 -3.529 1.00 74.14 H new ATOM 0 HG3 GLU A 22 -2.677 17.286 -3.817 1.00 74.14 H new ATOM 322 N THR A 23 0.944 15.411 -0.092 1.00 71.43 N ATOM 323 CA THR A 23 1.868 15.692 0.992 1.00 54.52 C ATOM 324 C THR A 23 2.666 14.445 1.352 1.00 1.15 C ATOM 325 O THR A 23 2.140 13.329 1.319 1.00 43.32 O ATOM 326 CB THR A 23 1.137 16.198 2.253 1.00 33.01 C ATOM 327 OG1 THR A 23 0.202 15.212 2.703 1.00 22.12 O ATOM 328 CG2 THR A 23 0.411 17.510 1.983 1.00 45.32 C ATOM 0 H THR A 23 0.297 14.643 0.087 1.00 71.43 H new ATOM 0 HA THR A 23 2.540 16.475 0.641 1.00 54.52 H new ATOM 0 HB THR A 23 1.884 16.375 3.027 1.00 33.01 H new ATOM 0 HG1 THR A 23 -0.257 15.539 3.505 1.00 22.12 H new ATOM 0 HG21 THR A 23 -0.094 17.840 2.891 1.00 45.32 H new ATOM 0 HG22 THR A 23 1.131 18.267 1.673 1.00 45.32 H new ATOM 0 HG23 THR A 23 -0.324 17.363 1.192 1.00 45.32 H new ATOM 336 N LYS A 24 3.932 14.637 1.695 1.00 65.55 N ATOM 337 CA LYS A 24 4.783 13.540 2.142 1.00 61.12 C ATOM 338 C LYS A 24 4.212 12.946 3.416 1.00 23.11 C ATOM 339 O LYS A 24 4.279 11.740 3.646 1.00 10.13 O ATOM 340 CB LYS A 24 6.199 14.055 2.392 1.00 53.14 C ATOM 341 CG LYS A 24 7.179 12.985 2.848 1.00 22.42 C ATOM 342 CD LYS A 24 8.573 13.559 3.060 1.00 4.32 C ATOM 343 CE LYS A 24 8.570 14.699 4.069 1.00 62.40 C ATOM 344 NZ LYS A 24 8.173 14.247 5.428 1.00 55.11 N ATOM 0 H LYS A 24 4.395 15.546 1.672 1.00 65.55 H new ATOM 0 HA LYS A 24 4.819 12.769 1.372 1.00 61.12 H new ATOM 0 HB2 LYS A 24 6.575 14.510 1.476 1.00 53.14 H new ATOM 0 HB3 LYS A 24 6.160 14.841 3.146 1.00 53.14 H new ATOM 0 HG2 LYS A 24 6.824 12.537 3.776 1.00 22.42 H new ATOM 0 HG3 LYS A 24 7.221 12.189 2.105 1.00 22.42 H new ATOM 0 HD2 LYS A 24 9.242 12.770 3.405 1.00 4.32 H new ATOM 0 HD3 LYS A 24 8.967 13.917 2.109 1.00 4.32 H new ATOM 0 HE2 LYS A 24 9.563 15.146 4.113 1.00 62.40 H new ATOM 0 HE3 LYS A 24 7.885 15.477 3.733 1.00 62.40 H new ATOM 0 HZ1 LYS A 24 8.087 15.071 6.056 1.00 55.11 H new ATOM 0 HZ2 LYS A 24 7.259 13.753 5.376 1.00 55.11 H new ATOM 0 HZ3 LYS A 24 8.895 13.600 5.803 1.00 55.11 H new ATOM 358 N ASP A 25 3.642 13.821 4.228 1.00 2.12 N ATOM 359 CA ASP A 25 2.982 13.430 5.466 1.00 20.54 C ATOM 360 C ASP A 25 1.906 12.377 5.205 1.00 75.40 C ATOM 361 O ASP A 25 1.814 11.384 5.928 1.00 20.21 O ATOM 362 CB ASP A 25 2.359 14.654 6.139 1.00 21.11 C ATOM 363 CG ASP A 25 1.763 14.328 7.492 1.00 50.34 C ATOM 364 OD1 ASP A 25 2.535 14.211 8.466 1.00 12.33 O ATOM 365 OD2 ASP A 25 0.524 14.201 7.590 1.00 33.52 O ATOM 0 H ASP A 25 3.623 14.825 4.048 1.00 2.12 H new ATOM 0 HA ASP A 25 3.732 12.997 6.128 1.00 20.54 H new ATOM 0 HB2 ASP A 25 3.119 15.427 6.256 1.00 21.11 H new ATOM 0 HB3 ASP A 25 1.583 15.065 5.493 1.00 21.11 H new ATOM 370 N ALA A 26 1.105 12.587 4.162 1.00 12.31 N ATOM 371 CA ALA A 26 0.070 11.627 3.793 1.00 31.33 C ATOM 372 C ALA A 26 0.693 10.301 3.376 1.00 24.01 C ATOM 373 O ALA A 26 0.223 9.234 3.770 1.00 40.40 O ATOM 374 CB ALA A 26 -0.797 12.179 2.674 1.00 25.34 C ATOM 0 H ALA A 26 1.153 13.410 3.561 1.00 12.31 H new ATOM 0 HA ALA A 26 -0.561 11.453 4.665 1.00 31.33 H new ATOM 0 HB1 ALA A 26 -1.563 11.449 2.413 1.00 25.34 H new ATOM 0 HB2 ALA A 26 -1.273 13.102 3.004 1.00 25.34 H new ATOM 0 HB3 ALA A 26 -0.178 12.383 1.801 1.00 25.34 H new ATOM 380 N LEU A 27 1.759 10.380 2.587 1.00 2.41 N ATOM 381 CA LEU A 27 2.519 9.202 2.186 1.00 31.41 C ATOM 382 C LEU A 27 2.977 8.422 3.415 1.00 71.43 C ATOM 383 O LEU A 27 2.785 7.210 3.504 1.00 34.41 O ATOM 384 CB LEU A 27 3.737 9.613 1.347 1.00 1.33 C ATOM 385 CG LEU A 27 3.508 9.719 -0.165 1.00 61.53 C ATOM 386 CD1 LEU A 27 2.516 10.819 -0.493 1.00 73.31 C ATOM 387 CD2 LEU A 27 4.827 9.966 -0.879 1.00 4.31 C ATOM 0 H LEU A 27 2.119 11.257 2.209 1.00 2.41 H new ATOM 0 HA LEU A 27 1.872 8.564 1.583 1.00 31.41 H new ATOM 0 HB2 LEU A 27 4.093 10.577 1.709 1.00 1.33 H new ATOM 0 HB3 LEU A 27 4.535 8.892 1.524 1.00 1.33 H new ATOM 0 HG LEU A 27 3.089 8.774 -0.512 1.00 61.53 H new ATOM 0 HD11 LEU A 27 2.374 10.871 -1.572 1.00 73.31 H new ATOM 0 HD12 LEU A 27 1.562 10.604 -0.011 1.00 73.31 H new ATOM 0 HD13 LEU A 27 2.898 11.774 -0.131 1.00 73.31 H new ATOM 0 HD21 LEU A 27 4.652 10.039 -1.952 1.00 4.31 H new ATOM 0 HD22 LEU A 27 5.267 10.896 -0.519 1.00 4.31 H new ATOM 0 HD23 LEU A 27 5.509 9.140 -0.679 1.00 4.31 H new ATOM 399 N GLU A 28 3.562 9.139 4.367 1.00 2.52 N ATOM 400 CA GLU A 28 4.077 8.549 5.592 1.00 20.43 C ATOM 401 C GLU A 28 2.953 7.972 6.459 1.00 72.23 C ATOM 402 O GLU A 28 3.163 7.014 7.206 1.00 60.14 O ATOM 403 CB GLU A 28 4.855 9.612 6.365 1.00 50.14 C ATOM 404 CG GLU A 28 6.088 10.114 5.626 1.00 63.11 C ATOM 405 CD GLU A 28 6.772 11.271 6.327 1.00 50.43 C ATOM 406 OE1 GLU A 28 6.329 12.425 6.152 1.00 25.13 O ATOM 407 OE2 GLU A 28 7.763 11.033 7.049 1.00 63.31 O ATOM 0 H GLU A 28 3.692 10.149 4.309 1.00 2.52 H new ATOM 0 HA GLU A 28 4.737 7.722 5.330 1.00 20.43 H new ATOM 0 HB2 GLU A 28 4.196 10.455 6.572 1.00 50.14 H new ATOM 0 HB3 GLU A 28 5.159 9.201 7.328 1.00 50.14 H new ATOM 0 HG2 GLU A 28 6.797 9.294 5.516 1.00 63.11 H new ATOM 0 HG3 GLU A 28 5.801 10.424 4.621 1.00 63.11 H new ATOM 414 N SER A 29 1.768 8.559 6.357 1.00 63.01 N ATOM 415 CA SER A 29 0.614 8.096 7.115 1.00 55.33 C ATOM 416 C SER A 29 0.018 6.833 6.493 1.00 52.02 C ATOM 417 O SER A 29 -0.195 5.830 7.181 1.00 55.22 O ATOM 418 CB SER A 29 -0.439 9.204 7.179 1.00 5.02 C ATOM 419 OG SER A 29 0.100 10.392 7.743 1.00 45.42 O ATOM 0 H SER A 29 1.581 9.360 5.754 1.00 63.01 H new ATOM 0 HA SER A 29 0.940 7.849 8.125 1.00 55.33 H new ATOM 0 HB2 SER A 29 -0.814 9.412 6.177 1.00 5.02 H new ATOM 0 HB3 SER A 29 -1.288 8.868 7.774 1.00 5.02 H new ATOM 0 HG SER A 29 0.623 10.868 7.065 1.00 45.42 H new ATOM 425 N GLU A 30 -0.229 6.880 5.188 1.00 32.44 N ATOM 426 CA GLU A 30 -0.817 5.757 4.479 1.00 4.24 C ATOM 427 C GLU A 30 0.117 4.551 4.492 1.00 12.10 C ATOM 428 O GLU A 30 -0.330 3.415 4.645 1.00 51.52 O ATOM 429 CB GLU A 30 -1.140 6.162 3.042 1.00 4.12 C ATOM 430 CG GLU A 30 -2.631 6.297 2.758 1.00 3.44 C ATOM 431 CD GLU A 30 -3.278 7.455 3.495 1.00 1.52 C ATOM 432 OE1 GLU A 30 -3.544 7.321 4.709 1.00 53.21 O ATOM 433 OE2 GLU A 30 -3.545 8.496 2.854 1.00 14.52 O ATOM 0 H GLU A 30 -0.029 7.689 4.601 1.00 32.44 H new ATOM 0 HA GLU A 30 -1.739 5.474 4.987 1.00 4.24 H new ATOM 0 HB2 GLU A 30 -0.651 7.112 2.824 1.00 4.12 H new ATOM 0 HB3 GLU A 30 -0.716 5.422 2.363 1.00 4.12 H new ATOM 0 HG2 GLU A 30 -2.780 6.429 1.686 1.00 3.44 H new ATOM 0 HG3 GLU A 30 -3.133 5.371 3.038 1.00 3.44 H new ATOM 440 N LEU A 31 1.414 4.809 4.355 1.00 31.14 N ATOM 441 CA LEU A 31 2.418 3.750 4.342 1.00 15.25 C ATOM 442 C LEU A 31 2.332 2.922 5.614 1.00 4.21 C ATOM 443 O LEU A 31 2.357 1.691 5.575 1.00 12.10 O ATOM 444 CB LEU A 31 3.820 4.347 4.234 1.00 71.41 C ATOM 445 CG LEU A 31 4.938 3.344 3.936 1.00 31.11 C ATOM 446 CD1 LEU A 31 4.751 2.723 2.559 1.00 30.44 C ATOM 447 CD2 LEU A 31 6.299 4.015 4.041 1.00 52.23 C ATOM 0 H LEU A 31 1.796 5.749 4.251 1.00 31.14 H new ATOM 0 HA LEU A 31 2.225 3.113 3.479 1.00 15.25 H new ATOM 0 HB2 LEU A 31 3.815 5.104 3.450 1.00 71.41 H new ATOM 0 HB3 LEU A 31 4.052 4.858 5.168 1.00 71.41 H new ATOM 0 HG LEU A 31 4.890 2.547 4.678 1.00 31.11 H new ATOM 0 HD11 LEU A 31 5.556 2.014 2.367 1.00 30.44 H new ATOM 0 HD12 LEU A 31 3.793 2.204 2.521 1.00 30.44 H new ATOM 0 HD13 LEU A 31 4.770 3.506 1.801 1.00 30.44 H new ATOM 0 HD21 LEU A 31 7.081 3.287 3.826 1.00 52.23 H new ATOM 0 HD22 LEU A 31 6.358 4.833 3.323 1.00 52.23 H new ATOM 0 HD23 LEU A 31 6.435 4.406 5.049 1.00 52.23 H new ATOM 459 N ALA A 32 2.223 3.621 6.737 1.00 3.21 N ATOM 460 CA ALA A 32 2.122 2.976 8.041 1.00 15.53 C ATOM 461 C ALA A 32 0.937 2.015 8.092 1.00 54.12 C ATOM 462 O ALA A 32 1.038 0.930 8.661 1.00 41.02 O ATOM 463 CB ALA A 32 2.010 4.018 9.143 1.00 20.53 C ATOM 0 H ALA A 32 2.202 4.640 6.771 1.00 3.21 H new ATOM 0 HA ALA A 32 3.031 2.396 8.200 1.00 15.53 H new ATOM 0 HB1 ALA A 32 1.935 3.519 10.109 1.00 20.53 H new ATOM 0 HB2 ALA A 32 2.893 4.656 9.131 1.00 20.53 H new ATOM 0 HB3 ALA A 32 1.121 4.627 8.979 1.00 20.53 H new ATOM 469 N LYS A 33 -0.171 2.407 7.475 1.00 41.44 N ATOM 470 CA LYS A 33 -1.369 1.579 7.435 1.00 61.02 C ATOM 471 C LYS A 33 -1.128 0.291 6.655 1.00 15.33 C ATOM 472 O LYS A 33 -1.605 -0.775 7.039 1.00 72.53 O ATOM 473 CB LYS A 33 -2.514 2.370 6.804 1.00 51.40 C ATOM 474 CG LYS A 33 -3.097 3.443 7.711 1.00 50.43 C ATOM 475 CD LYS A 33 -3.854 2.827 8.875 1.00 75.11 C ATOM 476 CE LYS A 33 -4.461 3.887 9.777 1.00 73.32 C ATOM 477 NZ LYS A 33 -5.339 3.291 10.819 1.00 2.01 N ATOM 0 H LYS A 33 -0.264 3.301 6.992 1.00 41.44 H new ATOM 0 HA LYS A 33 -1.632 1.304 8.456 1.00 61.02 H new ATOM 0 HB2 LYS A 33 -2.156 2.839 5.887 1.00 51.40 H new ATOM 0 HB3 LYS A 33 -3.307 1.678 6.520 1.00 51.40 H new ATOM 0 HG2 LYS A 33 -2.296 4.077 8.090 1.00 50.43 H new ATOM 0 HG3 LYS A 33 -3.766 4.084 7.137 1.00 50.43 H new ATOM 0 HD2 LYS A 33 -4.643 2.179 8.493 1.00 75.11 H new ATOM 0 HD3 LYS A 33 -3.179 2.199 9.456 1.00 75.11 H new ATOM 0 HE2 LYS A 33 -3.664 4.456 10.256 1.00 73.32 H new ATOM 0 HE3 LYS A 33 -5.037 4.590 9.175 1.00 73.32 H new ATOM 0 HZ1 LYS A 33 -5.734 4.047 11.414 1.00 2.01 H new ATOM 0 HZ2 LYS A 33 -6.114 2.769 10.363 1.00 2.01 H new ATOM 0 HZ3 LYS A 33 -4.784 2.640 11.410 1.00 2.01 H new ATOM 491 N TYR A 34 -0.377 0.391 5.568 1.00 64.11 N ATOM 492 CA TYR A 34 -0.037 -0.783 4.770 1.00 4.21 C ATOM 493 C TYR A 34 0.906 -1.695 5.543 1.00 43.01 C ATOM 494 O TYR A 34 0.778 -2.913 5.488 1.00 1.32 O ATOM 495 CB TYR A 34 0.591 -0.382 3.434 1.00 53.50 C ATOM 496 CG TYR A 34 -0.410 0.136 2.424 1.00 53.02 C ATOM 497 CD1 TYR A 34 -0.834 1.456 2.449 1.00 63.03 C ATOM 498 CD2 TYR A 34 -0.930 -0.700 1.444 1.00 72.54 C ATOM 499 CE1 TYR A 34 -1.749 1.931 1.531 1.00 22.45 C ATOM 500 CE2 TYR A 34 -1.844 -0.235 0.520 1.00 44.44 C ATOM 501 CZ TYR A 34 -2.250 1.082 0.567 1.00 4.30 C ATOM 502 OH TYR A 34 -3.159 1.550 -0.354 1.00 32.13 O ATOM 0 H TYR A 34 0.008 1.268 5.218 1.00 64.11 H new ATOM 0 HA TYR A 34 -0.960 -1.324 4.560 1.00 4.21 H new ATOM 0 HB2 TYR A 34 1.345 0.385 3.612 1.00 53.50 H new ATOM 0 HB3 TYR A 34 1.107 -1.244 3.012 1.00 53.50 H new ATOM 0 HD1 TYR A 34 -0.441 2.125 3.201 1.00 63.03 H new ATOM 0 HD2 TYR A 34 -0.614 -1.732 1.404 1.00 72.54 H new ATOM 0 HE1 TYR A 34 -2.070 2.961 1.568 1.00 22.45 H new ATOM 0 HE2 TYR A 34 -2.239 -0.899 -0.235 1.00 44.44 H new ATOM 0 HH TYR A 34 -3.410 0.825 -0.963 1.00 32.13 H new ATOM 512 N ILE A 35 1.839 -1.102 6.277 1.00 2.21 N ATOM 513 CA ILE A 35 2.742 -1.875 7.121 1.00 32.12 C ATOM 514 C ILE A 35 1.954 -2.566 8.234 1.00 54.03 C ATOM 515 O ILE A 35 2.198 -3.730 8.559 1.00 44.21 O ATOM 516 CB ILE A 35 3.847 -0.986 7.737 1.00 41.02 C ATOM 517 CG1 ILE A 35 4.660 -0.305 6.631 1.00 40.21 C ATOM 518 CG2 ILE A 35 4.757 -1.808 8.640 1.00 65.45 C ATOM 519 CD1 ILE A 35 5.717 0.649 7.149 1.00 64.23 C ATOM 0 H ILE A 35 1.990 -0.094 6.305 1.00 2.21 H new ATOM 0 HA ILE A 35 3.224 -2.624 6.493 1.00 32.12 H new ATOM 0 HB ILE A 35 3.371 -0.215 8.343 1.00 41.02 H new ATOM 0 HG12 ILE A 35 5.142 -1.071 6.023 1.00 40.21 H new ATOM 0 HG13 ILE A 35 3.980 0.241 5.977 1.00 40.21 H new ATOM 0 HG21 ILE A 35 5.528 -1.164 9.063 1.00 65.45 H new ATOM 0 HG22 ILE A 35 4.169 -2.248 9.445 1.00 65.45 H new ATOM 0 HG23 ILE A 35 5.227 -2.601 8.058 1.00 65.45 H new ATOM 0 HD11 ILE A 35 6.251 1.092 6.308 1.00 64.23 H new ATOM 0 HD12 ILE A 35 5.241 1.437 7.733 1.00 64.23 H new ATOM 0 HD13 ILE A 35 6.421 0.105 7.779 1.00 64.23 H new ATOM 531 N GLU A 36 0.992 -1.841 8.796 1.00 42.25 N ATOM 532 CA GLU A 36 0.099 -2.376 9.804 1.00 62.21 C ATOM 533 C GLU A 36 -0.652 -3.591 9.281 1.00 51.21 C ATOM 534 O GLU A 36 -0.691 -4.641 9.930 1.00 32.03 O ATOM 535 CB GLU A 36 -0.885 -1.285 10.231 1.00 2.23 C ATOM 536 CG GLU A 36 -0.302 -0.263 11.192 1.00 22.21 C ATOM 537 CD GLU A 36 0.133 -0.873 12.509 1.00 52.24 C ATOM 538 OE1 GLU A 36 -0.730 -1.103 13.379 1.00 31.20 O ATOM 539 OE2 GLU A 36 1.348 -1.106 12.687 1.00 63.30 O ATOM 0 H GLU A 36 0.814 -0.865 8.561 1.00 42.25 H new ATOM 0 HA GLU A 36 0.688 -2.697 10.664 1.00 62.21 H new ATOM 0 HB2 GLU A 36 -1.245 -0.767 9.342 1.00 2.23 H new ATOM 0 HB3 GLU A 36 -1.751 -1.755 10.698 1.00 2.23 H new ATOM 0 HG2 GLU A 36 0.553 0.223 10.723 1.00 22.21 H new ATOM 0 HG3 GLU A 36 -1.044 0.512 11.384 1.00 22.21 H new ATOM 546 N LEU A 37 -1.223 -3.447 8.099 1.00 34.23 N ATOM 547 CA LEU A 37 -1.979 -4.520 7.474 1.00 15.31 C ATOM 548 C LEU A 37 -1.064 -5.650 7.016 1.00 44.33 C ATOM 549 O LEU A 37 -1.485 -6.805 6.945 1.00 53.44 O ATOM 550 CB LEU A 37 -2.789 -3.975 6.298 1.00 63.23 C ATOM 551 CG LEU A 37 -4.001 -3.124 6.692 1.00 23.10 C ATOM 552 CD1 LEU A 37 -4.756 -2.665 5.456 1.00 2.20 C ATOM 553 CD2 LEU A 37 -4.925 -3.902 7.618 1.00 62.03 C ATOM 0 H LEU A 37 -1.177 -2.590 7.548 1.00 34.23 H new ATOM 0 HA LEU A 37 -2.664 -4.930 8.216 1.00 15.31 H new ATOM 0 HB2 LEU A 37 -2.131 -3.376 5.669 1.00 63.23 H new ATOM 0 HB3 LEU A 37 -3.133 -4.813 5.692 1.00 63.23 H new ATOM 0 HG LEU A 37 -3.640 -2.244 7.224 1.00 23.10 H new ATOM 0 HD11 LEU A 37 -5.613 -2.062 5.756 1.00 2.20 H new ATOM 0 HD12 LEU A 37 -4.095 -2.069 4.827 1.00 2.20 H new ATOM 0 HD13 LEU A 37 -5.102 -3.535 4.897 1.00 2.20 H new ATOM 0 HD21 LEU A 37 -5.779 -3.280 7.886 1.00 62.03 H new ATOM 0 HD22 LEU A 37 -5.275 -4.801 7.111 1.00 62.03 H new ATOM 0 HD23 LEU A 37 -4.383 -4.183 8.521 1.00 62.03 H new ATOM 565 N ALA A 38 0.187 -5.320 6.728 1.00 1.31 N ATOM 566 CA ALA A 38 1.157 -6.310 6.277 1.00 31.11 C ATOM 567 C ALA A 38 1.476 -7.287 7.397 1.00 24.45 C ATOM 568 O ALA A 38 1.384 -8.502 7.220 1.00 43.14 O ATOM 569 CB ALA A 38 2.428 -5.632 5.787 1.00 45.51 C ATOM 0 H ALA A 38 0.556 -4.372 6.799 1.00 1.31 H new ATOM 0 HA ALA A 38 0.721 -6.864 5.445 1.00 31.11 H new ATOM 0 HB1 ALA A 38 3.139 -6.388 5.455 1.00 45.51 H new ATOM 0 HB2 ALA A 38 2.189 -4.969 4.956 1.00 45.51 H new ATOM 0 HB3 ALA A 38 2.868 -5.053 6.599 1.00 45.51 H new ATOM 575 N LYS A 39 1.824 -6.739 8.559 1.00 61.20 N ATOM 576 CA LYS A 39 2.110 -7.543 9.742 1.00 12.35 C ATOM 577 C LYS A 39 0.855 -8.286 10.184 1.00 24.22 C ATOM 578 O LYS A 39 0.924 -9.381 10.751 1.00 75.23 O ATOM 579 CB LYS A 39 2.599 -6.645 10.877 1.00 61.21 C ATOM 580 CG LYS A 39 3.857 -5.857 10.548 1.00 13.43 C ATOM 581 CD LYS A 39 4.173 -4.842 11.636 1.00 53.33 C ATOM 582 CE LYS A 39 3.080 -3.786 11.746 1.00 32.32 C ATOM 583 NZ LYS A 39 3.351 -2.804 12.827 1.00 64.35 N ATOM 0 H LYS A 39 1.915 -5.734 8.706 1.00 61.20 H new ATOM 0 HA LYS A 39 2.887 -8.267 9.495 1.00 12.35 H new ATOM 0 HB2 LYS A 39 1.805 -5.947 11.141 1.00 61.21 H new ATOM 0 HB3 LYS A 39 2.788 -7.260 11.757 1.00 61.21 H new ATOM 0 HG2 LYS A 39 4.697 -6.541 10.431 1.00 13.43 H new ATOM 0 HG3 LYS A 39 3.729 -5.344 9.595 1.00 13.43 H new ATOM 0 HD2 LYS A 39 4.284 -5.354 12.592 1.00 53.33 H new ATOM 0 HD3 LYS A 39 5.126 -4.360 11.420 1.00 53.33 H new ATOM 0 HE2 LYS A 39 2.989 -3.260 10.795 1.00 32.32 H new ATOM 0 HE3 LYS A 39 2.124 -4.274 11.933 1.00 32.32 H new ATOM 0 HZ1 LYS A 39 2.797 -1.940 12.659 1.00 64.35 H new ATOM 0 HZ2 LYS A 39 3.083 -3.214 13.744 1.00 64.35 H new ATOM 0 HZ3 LYS A 39 4.364 -2.569 12.836 1.00 64.35 H new ATOM 597 N SER A 40 -0.290 -7.675 9.908 1.00 74.42 N ATOM 598 CA SER A 40 -1.583 -8.242 10.253 1.00 22.50 C ATOM 599 C SER A 40 -1.788 -9.573 9.538 1.00 71.15 C ATOM 600 O SER A 40 -2.394 -10.497 10.081 1.00 20.32 O ATOM 601 CB SER A 40 -2.697 -7.250 9.886 1.00 64.14 C ATOM 602 OG SER A 40 -3.981 -7.751 10.217 1.00 22.14 O ATOM 0 H SER A 40 -0.346 -6.771 9.438 1.00 74.42 H new ATOM 0 HA SER A 40 -1.617 -8.427 11.327 1.00 22.50 H new ATOM 0 HB2 SER A 40 -2.530 -6.307 10.407 1.00 64.14 H new ATOM 0 HB3 SER A 40 -2.655 -7.036 8.818 1.00 64.14 H new ATOM 0 HG SER A 40 -4.663 -7.092 9.970 1.00 22.14 H new ATOM 608 N VAL A 41 -1.268 -9.664 8.321 1.00 14.44 N ATOM 609 CA VAL A 41 -1.343 -10.893 7.554 1.00 64.10 C ATOM 610 C VAL A 41 -0.171 -11.804 7.902 1.00 65.50 C ATOM 611 O VAL A 41 -0.363 -12.952 8.304 1.00 62.05 O ATOM 612 CB VAL A 41 -1.340 -10.619 6.033 1.00 13.35 C ATOM 613 CG1 VAL A 41 -1.455 -11.920 5.250 1.00 41.44 C ATOM 614 CG2 VAL A 41 -2.462 -9.662 5.653 1.00 50.14 C ATOM 0 H VAL A 41 -0.790 -8.898 7.846 1.00 14.44 H new ATOM 0 HA VAL A 41 -2.283 -11.381 7.814 1.00 64.10 H new ATOM 0 HB VAL A 41 -0.391 -10.149 5.776 1.00 13.35 H new ATOM 0 HG11 VAL A 41 -1.451 -11.703 4.182 1.00 41.44 H new ATOM 0 HG12 VAL A 41 -0.611 -12.566 5.492 1.00 41.44 H new ATOM 0 HG13 VAL A 41 -2.385 -12.423 5.515 1.00 41.44 H new ATOM 0 HG21 VAL A 41 -2.440 -9.484 4.578 1.00 50.14 H new ATOM 0 HG22 VAL A 41 -3.422 -10.099 5.929 1.00 50.14 H new ATOM 0 HG23 VAL A 41 -2.328 -8.717 6.180 1.00 50.14 H new ATOM 624 N CYS A 42 1.038 -11.274 7.790 1.00 51.43 N ATOM 625 CA CYS A 42 2.233 -12.060 7.975 1.00 24.03 C ATOM 626 C CYS A 42 3.310 -11.245 8.674 1.00 5.12 C ATOM 627 O CYS A 42 3.477 -10.056 8.411 1.00 35.05 O ATOM 628 CB CYS A 42 2.742 -12.542 6.621 1.00 25.15 C ATOM 629 SG CYS A 42 2.932 -11.224 5.401 1.00 34.13 S ATOM 0 H CYS A 42 1.210 -10.293 7.570 1.00 51.43 H new ATOM 0 HA CYS A 42 1.993 -12.920 8.601 1.00 24.03 H new ATOM 0 HB2 CYS A 42 3.703 -13.037 6.760 1.00 25.15 H new ATOM 0 HB3 CYS A 42 2.052 -13.290 6.230 1.00 25.15 H new ATOM 0 HG CYS A 42 3.068 -10.084 6.011 1.00 34.13 H new ATOM 635 N ALA A 43 4.031 -11.895 9.562 1.00 33.22 N ATOM 636 CA ALA A 43 5.124 -11.259 10.277 1.00 23.15 C ATOM 637 C ALA A 43 6.416 -11.398 9.487 1.00 14.23 C ATOM 638 O ALA A 43 7.331 -10.583 9.616 1.00 72.04 O ATOM 639 CB ALA A 43 5.278 -11.874 11.659 1.00 32.14 C ATOM 0 H ALA A 43 3.880 -12.873 9.810 1.00 33.22 H new ATOM 0 HA ALA A 43 4.899 -10.199 10.394 1.00 23.15 H new ATOM 0 HB1 ALA A 43 6.101 -11.388 12.184 1.00 32.14 H new ATOM 0 HB2 ALA A 43 4.356 -11.736 12.223 1.00 32.14 H new ATOM 0 HB3 ALA A 43 5.488 -12.939 11.562 1.00 32.14 H new ATOM 645 N GLY A 44 6.474 -12.431 8.652 1.00 73.21 N ATOM 646 CA GLY A 44 7.655 -12.680 7.849 1.00 70.44 C ATOM 647 C GLY A 44 7.567 -12.038 6.480 1.00 14.51 C ATOM 648 O GLY A 44 7.885 -12.663 5.468 1.00 53.52 O ATOM 0 H GLY A 44 5.719 -13.103 8.518 1.00 73.21 H new ATOM 0 HA2 GLY A 44 8.533 -12.299 8.371 1.00 70.44 H new ATOM 0 HA3 GLY A 44 7.794 -13.755 7.735 1.00 70.44 H new ATOM 652 N VAL A 45 7.121 -10.795 6.444 1.00 12.00 N ATOM 653 CA VAL A 45 7.025 -10.053 5.204 1.00 34.20 C ATOM 654 C VAL A 45 8.236 -9.138 5.028 1.00 41.43 C ATOM 655 O VAL A 45 8.543 -8.318 5.894 1.00 75.20 O ATOM 656 CB VAL A 45 5.712 -9.233 5.151 1.00 52.41 C ATOM 657 CG1 VAL A 45 5.608 -8.260 6.318 1.00 44.30 C ATOM 658 CG2 VAL A 45 5.585 -8.499 3.825 1.00 62.30 C ATOM 0 H VAL A 45 6.818 -10.276 7.268 1.00 12.00 H new ATOM 0 HA VAL A 45 7.012 -10.769 4.382 1.00 34.20 H new ATOM 0 HB VAL A 45 4.884 -9.937 5.236 1.00 52.41 H new ATOM 0 HG11 VAL A 45 4.674 -7.703 6.245 1.00 44.30 H new ATOM 0 HG12 VAL A 45 5.629 -8.814 7.257 1.00 44.30 H new ATOM 0 HG13 VAL A 45 6.447 -7.565 6.288 1.00 44.30 H new ATOM 0 HG21 VAL A 45 4.655 -7.930 3.812 1.00 62.30 H new ATOM 0 HG22 VAL A 45 6.428 -7.819 3.703 1.00 62.30 H new ATOM 0 HG23 VAL A 45 5.581 -9.221 3.008 1.00 62.30 H new ATOM 668 N GLU A 46 8.947 -9.310 3.926 1.00 73.11 N ATOM 669 CA GLU A 46 10.063 -8.439 3.601 1.00 14.02 C ATOM 670 C GLU A 46 9.586 -7.341 2.674 1.00 44.50 C ATOM 671 O GLU A 46 8.849 -7.604 1.729 1.00 61.31 O ATOM 672 CB GLU A 46 11.191 -9.224 2.929 1.00 53.24 C ATOM 673 CG GLU A 46 11.750 -10.349 3.777 1.00 25.15 C ATOM 674 CD GLU A 46 12.920 -11.043 3.111 1.00 4.32 C ATOM 675 OE1 GLU A 46 14.057 -10.545 3.234 1.00 44.23 O ATOM 676 OE2 GLU A 46 12.713 -12.094 2.466 1.00 24.32 O ATOM 0 H GLU A 46 8.771 -10.045 3.241 1.00 73.11 H new ATOM 0 HA GLU A 46 10.449 -8.007 4.524 1.00 14.02 H new ATOM 0 HB2 GLU A 46 10.822 -9.639 1.991 1.00 53.24 H new ATOM 0 HB3 GLU A 46 11.999 -8.536 2.678 1.00 53.24 H new ATOM 0 HG2 GLU A 46 12.067 -9.951 4.741 1.00 25.15 H new ATOM 0 HG3 GLU A 46 10.963 -11.077 3.975 1.00 25.15 H new ATOM 683 N TYR A 47 9.985 -6.115 2.932 1.00 4.22 N ATOM 684 CA TYR A 47 9.550 -5.016 2.092 1.00 14.32 C ATOM 685 C TYR A 47 10.636 -3.977 1.895 1.00 14.43 C ATOM 686 O TYR A 47 11.456 -3.719 2.777 1.00 52.04 O ATOM 687 CB TYR A 47 8.279 -4.359 2.647 1.00 10.01 C ATOM 688 CG TYR A 47 8.367 -3.921 4.096 1.00 3.02 C ATOM 689 CD1 TYR A 47 8.878 -2.672 4.435 1.00 40.41 C ATOM 690 CD2 TYR A 47 7.923 -4.748 5.120 1.00 62.32 C ATOM 691 CE1 TYR A 47 8.950 -2.266 5.754 1.00 54.11 C ATOM 692 CE2 TYR A 47 7.990 -4.347 6.440 1.00 20.43 C ATOM 693 CZ TYR A 47 8.503 -3.106 6.752 1.00 32.45 C ATOM 694 OH TYR A 47 8.568 -2.701 8.065 1.00 63.04 O ATOM 0 H TYR A 47 10.600 -5.854 3.703 1.00 4.22 H new ATOM 0 HA TYR A 47 9.323 -5.444 1.116 1.00 14.32 H new ATOM 0 HB2 TYR A 47 8.039 -3.490 2.034 1.00 10.01 H new ATOM 0 HB3 TYR A 47 7.451 -5.060 2.544 1.00 10.01 H new ATOM 0 HD1 TYR A 47 9.224 -2.010 3.655 1.00 40.41 H new ATOM 0 HD2 TYR A 47 7.519 -5.720 4.880 1.00 62.32 H new ATOM 0 HE1 TYR A 47 9.354 -1.296 6.002 1.00 54.11 H new ATOM 0 HE2 TYR A 47 7.642 -5.003 7.224 1.00 20.43 H new ATOM 0 HH TYR A 47 8.213 -3.408 8.643 1.00 63.04 H new ATOM 704 N ASN A 48 10.643 -3.405 0.710 1.00 12.31 N ATOM 705 CA ASN A 48 11.496 -2.267 0.409 1.00 75.31 C ATOM 706 C ASN A 48 10.614 -1.103 0.010 1.00 1.20 C ATOM 707 O ASN A 48 9.429 -1.291 -0.266 1.00 14.35 O ATOM 708 CB ASN A 48 12.482 -2.558 -0.726 1.00 73.23 C ATOM 709 CG ASN A 48 13.395 -3.747 -0.472 1.00 64.31 C ATOM 710 OD1 ASN A 48 13.843 -4.402 -1.412 1.00 15.33 O ATOM 711 ND2 ASN A 48 13.678 -4.039 0.790 1.00 34.14 N ATOM 0 H ASN A 48 10.062 -3.711 -0.071 1.00 12.31 H new ATOM 0 HA ASN A 48 12.082 -2.039 1.299 1.00 75.31 H new ATOM 0 HB2 ASN A 48 11.920 -2.736 -1.643 1.00 73.23 H new ATOM 0 HB3 ASN A 48 13.096 -1.673 -0.894 1.00 73.23 H new ATOM 0 HD21 ASN A 48 14.285 -4.829 1.007 1.00 34.14 H new ATOM 0 HD22 ASN A 48 13.288 -3.473 1.544 1.00 34.14 H new ATOM 718 N VAL A 49 11.183 0.080 -0.046 1.00 44.23 N ATOM 719 CA VAL A 49 10.414 1.271 -0.351 1.00 0.45 C ATOM 720 C VAL A 49 11.341 2.377 -0.838 1.00 62.24 C ATOM 721 O VAL A 49 12.529 2.379 -0.513 1.00 65.54 O ATOM 722 CB VAL A 49 9.608 1.747 0.886 1.00 50.02 C ATOM 723 CG1 VAL A 49 10.536 2.186 2.008 1.00 40.22 C ATOM 724 CG2 VAL A 49 8.641 2.860 0.515 1.00 35.54 C ATOM 0 H VAL A 49 12.176 0.246 0.115 1.00 44.23 H new ATOM 0 HA VAL A 49 9.703 1.028 -1.141 1.00 0.45 H new ATOM 0 HB VAL A 49 9.023 0.901 1.246 1.00 50.02 H new ATOM 0 HG11 VAL A 49 9.944 2.515 2.862 1.00 40.22 H new ATOM 0 HG12 VAL A 49 11.169 1.350 2.305 1.00 40.22 H new ATOM 0 HG13 VAL A 49 11.161 3.009 1.662 1.00 40.22 H new ATOM 0 HG21 VAL A 49 8.090 3.174 1.402 1.00 35.54 H new ATOM 0 HG22 VAL A 49 9.198 3.707 0.115 1.00 35.54 H new ATOM 0 HG23 VAL A 49 7.941 2.498 -0.238 1.00 35.54 H new ATOM 734 N SER A 50 10.814 3.280 -1.650 1.00 32.13 N ATOM 735 CA SER A 50 11.583 4.422 -2.110 1.00 0.30 C ATOM 736 C SER A 50 11.848 5.365 -0.945 1.00 1.41 C ATOM 737 O SER A 50 11.164 5.314 0.081 1.00 30.11 O ATOM 738 CB SER A 50 10.829 5.170 -3.206 1.00 51.43 C ATOM 739 OG SER A 50 10.159 4.265 -4.077 1.00 60.21 O ATOM 0 H SER A 50 9.858 3.243 -2.003 1.00 32.13 H new ATOM 0 HA SER A 50 12.529 4.063 -2.515 1.00 0.30 H new ATOM 0 HB2 SER A 50 10.105 5.849 -2.755 1.00 51.43 H new ATOM 0 HB3 SER A 50 11.526 5.782 -3.779 1.00 51.43 H new ATOM 0 HG SER A 50 9.817 4.753 -4.855 1.00 60.21 H new ATOM 745 N GLU A 51 12.826 6.232 -1.108 1.00 5.41 N ATOM 746 CA GLU A 51 13.158 7.188 -0.071 1.00 52.32 C ATOM 747 C GLU A 51 12.346 8.459 -0.264 1.00 22.45 C ATOM 748 O GLU A 51 12.225 8.974 -1.378 1.00 4.15 O ATOM 749 CB GLU A 51 14.662 7.500 -0.039 1.00 20.50 C ATOM 750 CG GLU A 51 15.244 7.983 -1.360 1.00 30.04 C ATOM 751 CD GLU A 51 15.408 6.867 -2.371 1.00 45.13 C ATOM 752 OE1 GLU A 51 16.418 6.136 -2.301 1.00 50.43 O ATOM 753 OE2 GLU A 51 14.523 6.711 -3.238 1.00 22.00 O ATOM 0 H GLU A 51 13.404 6.295 -1.946 1.00 5.41 H new ATOM 0 HA GLU A 51 12.905 6.744 0.892 1.00 52.32 H new ATOM 0 HB2 GLU A 51 14.845 8.259 0.721 1.00 20.50 H new ATOM 0 HB3 GLU A 51 15.198 6.603 0.271 1.00 20.50 H new ATOM 0 HG2 GLU A 51 14.596 8.753 -1.778 1.00 30.04 H new ATOM 0 HG3 GLU A 51 16.213 8.447 -1.177 1.00 30.04 H new ATOM 760 N LEU A 52 11.765 8.939 0.821 1.00 12.23 N ATOM 761 CA LEU A 52 10.924 10.116 0.786 1.00 42.13 C ATOM 762 C LEU A 52 11.750 11.362 0.510 1.00 30.30 C ATOM 763 O LEU A 52 12.636 11.723 1.287 1.00 63.40 O ATOM 764 CB LEU A 52 10.178 10.273 2.114 1.00 75.14 C ATOM 765 CG LEU A 52 9.097 9.223 2.414 1.00 23.54 C ATOM 766 CD1 LEU A 52 8.043 9.208 1.318 1.00 64.41 C ATOM 767 CD2 LEU A 52 9.687 7.833 2.603 1.00 34.11 C ATOM 0 H LEU A 52 11.864 8.523 1.747 1.00 12.23 H new ATOM 0 HA LEU A 52 10.200 9.993 -0.020 1.00 42.13 H new ATOM 0 HB2 LEU A 52 10.909 10.252 2.922 1.00 75.14 H new ATOM 0 HB3 LEU A 52 9.712 11.258 2.131 1.00 75.14 H new ATOM 0 HG LEU A 52 8.624 9.508 3.354 1.00 23.54 H new ATOM 0 HD11 LEU A 52 7.287 8.458 1.550 1.00 64.41 H new ATOM 0 HD12 LEU A 52 7.572 10.189 1.252 1.00 64.41 H new ATOM 0 HD13 LEU A 52 8.513 8.967 0.365 1.00 64.41 H new ATOM 0 HD21 LEU A 52 8.887 7.123 2.813 1.00 34.11 H new ATOM 0 HD22 LEU A 52 10.209 7.533 1.695 1.00 34.11 H new ATOM 0 HD23 LEU A 52 10.389 7.846 3.437 1.00 34.11 H new ATOM 779 N THR A 53 11.459 12.007 -0.600 1.00 55.33 N ATOM 780 CA THR A 53 12.121 13.242 -0.949 1.00 23.54 C ATOM 781 C THR A 53 11.322 14.414 -0.397 1.00 70.12 C ATOM 782 O THR A 53 10.394 14.220 0.390 1.00 3.44 O ATOM 783 CB THR A 53 12.300 13.375 -2.473 1.00 34.52 C ATOM 784 OG1 THR A 53 11.043 13.203 -3.135 1.00 20.51 O ATOM 785 CG2 THR A 53 13.298 12.350 -2.991 1.00 21.54 C ATOM 0 H THR A 53 10.765 11.693 -1.278 1.00 55.33 H new ATOM 0 HA THR A 53 13.117 13.241 -0.507 1.00 23.54 H new ATOM 0 HB THR A 53 12.684 14.373 -2.684 1.00 34.52 H new ATOM 0 HG1 THR A 53 11.168 13.291 -4.103 1.00 20.51 H new ATOM 0 HG21 THR A 53 13.409 12.463 -4.070 1.00 21.54 H new ATOM 0 HG22 THR A 53 14.263 12.506 -2.509 1.00 21.54 H new ATOM 0 HG23 THR A 53 12.938 11.346 -2.766 1.00 21.54 H new ATOM 793 N GLU A 54 11.679 15.625 -0.782 1.00 71.52 N ATOM 794 CA GLU A 54 11.036 16.802 -0.234 1.00 64.05 C ATOM 795 C GLU A 54 9.628 16.989 -0.787 1.00 74.03 C ATOM 796 O GLU A 54 8.735 17.464 -0.080 1.00 24.02 O ATOM 797 CB GLU A 54 11.894 18.032 -0.509 1.00 41.44 C ATOM 798 CG GLU A 54 13.293 17.922 0.068 1.00 41.11 C ATOM 799 CD GLU A 54 14.070 19.212 -0.040 1.00 61.03 C ATOM 800 OE1 GLU A 54 14.508 19.557 -1.157 1.00 5.43 O ATOM 801 OE2 GLU A 54 14.253 19.884 0.996 1.00 74.43 O ATOM 0 H GLU A 54 12.408 15.818 -1.469 1.00 71.52 H new ATOM 0 HA GLU A 54 10.939 16.665 0.843 1.00 64.05 H new ATOM 0 HB2 GLU A 54 11.963 18.187 -1.586 1.00 41.44 H new ATOM 0 HB3 GLU A 54 11.403 18.911 -0.091 1.00 41.44 H new ATOM 0 HG2 GLU A 54 13.228 17.628 1.116 1.00 41.11 H new ATOM 0 HG3 GLU A 54 13.835 17.132 -0.451 1.00 41.11 H new ATOM 808 N GLU A 55 9.426 16.616 -2.042 1.00 14.30 N ATOM 809 CA GLU A 55 8.122 16.735 -2.665 1.00 5.35 C ATOM 810 C GLU A 55 7.717 15.455 -3.383 1.00 73.03 C ATOM 811 O GLU A 55 7.120 15.503 -4.459 1.00 43.31 O ATOM 812 CB GLU A 55 8.113 17.897 -3.647 1.00 21.34 C ATOM 813 CG GLU A 55 8.156 19.256 -2.978 1.00 13.02 C ATOM 814 CD GLU A 55 7.873 20.380 -3.944 1.00 11.23 C ATOM 815 OE1 GLU A 55 8.822 20.863 -4.595 1.00 71.14 O ATOM 816 OE2 GLU A 55 6.698 20.784 -4.055 1.00 31.24 O ATOM 0 H GLU A 55 10.150 16.229 -2.647 1.00 14.30 H new ATOM 0 HA GLU A 55 7.398 16.919 -1.871 1.00 5.35 H new ATOM 0 HB2 GLU A 55 8.968 17.803 -4.316 1.00 21.34 H new ATOM 0 HB3 GLU A 55 7.217 17.833 -4.264 1.00 21.34 H new ATOM 0 HG2 GLU A 55 7.426 19.283 -2.169 1.00 13.02 H new ATOM 0 HG3 GLU A 55 9.137 19.406 -2.528 1.00 13.02 H new ATOM 823 N SER A 56 8.029 14.312 -2.791 1.00 0.12 N ATOM 824 CA SER A 56 7.559 13.049 -3.335 1.00 24.02 C ATOM 825 C SER A 56 6.044 12.959 -3.231 1.00 51.05 C ATOM 826 O SER A 56 5.487 12.931 -2.133 1.00 23.23 O ATOM 827 CB SER A 56 8.202 11.865 -2.615 1.00 0.40 C ATOM 828 OG SER A 56 8.456 12.169 -1.253 1.00 14.51 O ATOM 0 H SER A 56 8.597 14.233 -1.947 1.00 0.12 H new ATOM 0 HA SER A 56 7.848 13.009 -4.385 1.00 24.02 H new ATOM 0 HB2 SER A 56 7.546 10.997 -2.680 1.00 0.40 H new ATOM 0 HB3 SER A 56 9.135 11.598 -3.111 1.00 0.40 H new ATOM 0 HG SER A 56 8.558 11.337 -0.746 1.00 14.51 H new ATOM 834 N LYS A 57 5.387 12.948 -4.378 1.00 54.43 N ATOM 835 CA LYS A 57 3.943 12.800 -4.418 1.00 33.54 C ATOM 836 C LYS A 57 3.574 11.329 -4.355 1.00 22.24 C ATOM 837 O LYS A 57 2.462 10.971 -3.982 1.00 41.15 O ATOM 838 CB LYS A 57 3.361 13.431 -5.686 1.00 31.14 C ATOM 839 CG LYS A 57 3.560 14.934 -5.774 1.00 24.31 C ATOM 840 CD LYS A 57 2.930 15.654 -4.592 1.00 73.14 C ATOM 841 CE LYS A 57 3.027 17.165 -4.739 1.00 51.34 C ATOM 842 NZ LYS A 57 2.220 17.666 -5.884 1.00 1.51 N ATOM 0 H LYS A 57 5.830 13.040 -5.292 1.00 54.43 H new ATOM 0 HA LYS A 57 3.521 13.317 -3.556 1.00 33.54 H new ATOM 0 HB2 LYS A 57 3.820 12.962 -6.557 1.00 31.14 H new ATOM 0 HB3 LYS A 57 2.294 13.213 -5.732 1.00 31.14 H new ATOM 0 HG2 LYS A 57 4.626 15.159 -5.811 1.00 24.31 H new ATOM 0 HG3 LYS A 57 3.124 15.305 -6.701 1.00 24.31 H new ATOM 0 HD2 LYS A 57 1.883 15.363 -4.504 1.00 73.14 H new ATOM 0 HD3 LYS A 57 3.425 15.345 -3.671 1.00 73.14 H new ATOM 0 HE2 LYS A 57 2.687 17.641 -3.820 1.00 51.34 H new ATOM 0 HE3 LYS A 57 4.070 17.450 -4.878 1.00 51.34 H new ATOM 0 HZ1 LYS A 57 2.203 18.706 -5.868 1.00 1.51 H new ATOM 0 HZ2 LYS A 57 2.643 17.340 -6.776 1.00 1.51 H new ATOM 0 HZ3 LYS A 57 1.248 17.303 -5.809 1.00 1.51 H new ATOM 856 N GLU A 58 4.520 10.473 -4.713 1.00 72.33 N ATOM 857 CA GLU A 58 4.270 9.042 -4.716 1.00 70.43 C ATOM 858 C GLU A 58 5.528 8.284 -4.338 1.00 10.30 C ATOM 859 O GLU A 58 6.640 8.706 -4.657 1.00 25.52 O ATOM 860 CB GLU A 58 3.758 8.541 -6.081 1.00 12.02 C ATOM 861 CG GLU A 58 3.465 9.628 -7.107 1.00 54.32 C ATOM 862 CD GLU A 58 4.702 10.087 -7.848 1.00 21.04 C ATOM 863 OE1 GLU A 58 5.157 9.358 -8.754 1.00 62.34 O ATOM 864 OE2 GLU A 58 5.222 11.181 -7.538 1.00 52.50 O ATOM 0 H GLU A 58 5.460 10.743 -5.003 1.00 72.33 H new ATOM 0 HA GLU A 58 3.490 8.855 -3.977 1.00 70.43 H new ATOM 0 HB2 GLU A 58 4.498 7.859 -6.500 1.00 12.02 H new ATOM 0 HB3 GLU A 58 2.848 7.963 -5.919 1.00 12.02 H new ATOM 0 HG2 GLU A 58 2.735 9.255 -7.825 1.00 54.32 H new ATOM 0 HG3 GLU A 58 3.011 10.482 -6.605 1.00 54.32 H new ATOM 871 N LEU A 59 5.344 7.172 -3.644 1.00 32.54 N ATOM 872 CA LEU A 59 6.446 6.303 -3.281 1.00 45.34 C ATOM 873 C LEU A 59 6.092 4.868 -3.628 1.00 45.51 C ATOM 874 O LEU A 59 4.925 4.472 -3.561 1.00 44.11 O ATOM 875 CB LEU A 59 6.805 6.426 -1.789 1.00 73.22 C ATOM 876 CG LEU A 59 5.863 5.732 -0.787 1.00 31.25 C ATOM 877 CD1 LEU A 59 6.452 5.790 0.612 1.00 52.33 C ATOM 878 CD2 LEU A 59 4.479 6.362 -0.788 1.00 42.51 C ATOM 0 H LEU A 59 4.432 6.850 -3.320 1.00 32.54 H new ATOM 0 HA LEU A 59 7.325 6.610 -3.848 1.00 45.34 H new ATOM 0 HB2 LEU A 59 7.808 6.023 -1.647 1.00 73.22 H new ATOM 0 HB3 LEU A 59 6.848 7.485 -1.536 1.00 73.22 H new ATOM 0 HG LEU A 59 5.760 4.692 -1.098 1.00 31.25 H new ATOM 0 HD11 LEU A 59 5.777 5.296 1.312 1.00 52.33 H new ATOM 0 HD12 LEU A 59 7.418 5.285 0.621 1.00 52.33 H new ATOM 0 HD13 LEU A 59 6.584 6.831 0.908 1.00 52.33 H new ATOM 0 HD21 LEU A 59 3.844 5.845 -0.069 1.00 42.51 H new ATOM 0 HD22 LEU A 59 4.558 7.414 -0.513 1.00 42.51 H new ATOM 0 HD23 LEU A 59 4.042 6.279 -1.783 1.00 42.51 H new ATOM 890 N THR A 60 7.092 4.101 -4.007 1.00 25.41 N ATOM 891 CA THR A 60 6.881 2.726 -4.403 1.00 22.35 C ATOM 892 C THR A 60 7.394 1.777 -3.326 1.00 32.35 C ATOM 893 O THR A 60 8.549 1.864 -2.904 1.00 74.34 O ATOM 894 CB THR A 60 7.581 2.430 -5.744 1.00 15.21 C ATOM 895 OG1 THR A 60 7.203 3.420 -6.712 1.00 1.11 O ATOM 896 CG2 THR A 60 7.208 1.045 -6.262 1.00 4.14 C ATOM 0 H THR A 60 8.064 4.409 -4.049 1.00 25.41 H new ATOM 0 HA THR A 60 5.810 2.570 -4.529 1.00 22.35 H new ATOM 0 HB THR A 60 8.659 2.460 -5.583 1.00 15.21 H new ATOM 0 HG1 THR A 60 8.002 3.894 -7.024 1.00 1.11 H new ATOM 0 HG21 THR A 60 7.716 0.862 -7.209 1.00 4.14 H new ATOM 0 HG22 THR A 60 7.512 0.291 -5.536 1.00 4.14 H new ATOM 0 HG23 THR A 60 6.130 0.991 -6.412 1.00 4.14 H new ATOM 904 N ALA A 61 6.519 0.900 -2.867 1.00 30.14 N ATOM 905 CA ALA A 61 6.870 -0.078 -1.858 1.00 61.20 C ATOM 906 C ALA A 61 6.660 -1.483 -2.398 1.00 43.25 C ATOM 907 O ALA A 61 5.673 -1.756 -3.078 1.00 40.23 O ATOM 908 CB ALA A 61 6.045 0.138 -0.600 1.00 22.23 C ATOM 0 H ALA A 61 5.550 0.847 -3.182 1.00 30.14 H new ATOM 0 HA ALA A 61 7.923 0.044 -1.602 1.00 61.20 H new ATOM 0 HB1 ALA A 61 6.321 -0.605 0.148 1.00 22.23 H new ATOM 0 HB2 ALA A 61 6.235 1.137 -0.207 1.00 22.23 H new ATOM 0 HB3 ALA A 61 4.986 0.038 -0.838 1.00 22.23 H new ATOM 914 N ARG A 62 7.591 -2.367 -2.100 1.00 72.40 N ATOM 915 CA ARG A 62 7.513 -3.739 -2.567 1.00 0.20 C ATOM 916 C ARG A 62 7.405 -4.691 -1.384 1.00 4.04 C ATOM 917 O ARG A 62 8.326 -4.791 -0.573 1.00 1.44 O ATOM 918 CB ARG A 62 8.733 -4.069 -3.436 1.00 3.21 C ATOM 919 CG ARG A 62 8.947 -5.554 -3.668 1.00 14.40 C ATOM 920 CD ARG A 62 9.928 -5.810 -4.796 1.00 42.35 C ATOM 921 NE ARG A 62 9.338 -5.509 -6.099 1.00 21.22 N ATOM 922 CZ ARG A 62 9.962 -5.661 -7.262 1.00 1.42 C ATOM 923 NH1 ARG A 62 11.234 -6.048 -7.299 1.00 5.40 N ATOM 924 NH2 ARG A 62 9.305 -5.421 -8.388 1.00 70.41 N ATOM 0 H ARG A 62 8.414 -2.160 -1.534 1.00 72.40 H new ATOM 0 HA ARG A 62 6.619 -3.859 -3.179 1.00 0.20 H new ATOM 0 HB2 ARG A 62 8.623 -3.574 -4.401 1.00 3.21 H new ATOM 0 HB3 ARG A 62 9.624 -3.654 -2.965 1.00 3.21 H new ATOM 0 HG2 ARG A 62 9.317 -6.016 -2.752 1.00 14.40 H new ATOM 0 HG3 ARG A 62 7.993 -6.027 -3.901 1.00 14.40 H new ATOM 0 HD2 ARG A 62 10.819 -5.200 -4.650 1.00 42.35 H new ATOM 0 HD3 ARG A 62 10.247 -6.852 -4.772 1.00 42.35 H new ATOM 0 HE ARG A 62 8.381 -5.158 -6.117 1.00 21.22 H new ATOM 0 HH11 ARG A 62 11.737 -6.230 -6.431 1.00 5.40 H new ATOM 0 HH12 ARG A 62 11.706 -6.163 -8.196 1.00 5.40 H new ATOM 0 HH21 ARG A 62 8.330 -5.123 -8.356 1.00 70.41 H new ATOM 0 HH22 ARG A 62 9.774 -5.535 -9.286 1.00 70.41 H new ATOM 938 N PHE A 63 6.276 -5.378 -1.291 1.00 51.04 N ATOM 939 CA PHE A 63 6.027 -6.295 -0.189 1.00 35.34 C ATOM 940 C PHE A 63 6.158 -7.741 -0.644 1.00 51.41 C ATOM 941 O PHE A 63 5.381 -8.219 -1.467 1.00 12.41 O ATOM 942 CB PHE A 63 4.633 -6.065 0.405 1.00 61.25 C ATOM 943 CG PHE A 63 4.464 -4.738 1.089 1.00 72.04 C ATOM 944 CD1 PHE A 63 4.076 -3.615 0.376 1.00 72.43 C ATOM 945 CD2 PHE A 63 4.683 -4.618 2.452 1.00 64.12 C ATOM 946 CE1 PHE A 63 3.908 -2.399 1.008 1.00 64.00 C ATOM 947 CE2 PHE A 63 4.518 -3.403 3.090 1.00 24.33 C ATOM 948 CZ PHE A 63 4.131 -2.291 2.366 1.00 0.03 C ATOM 0 H PHE A 63 5.516 -5.317 -1.968 1.00 51.04 H new ATOM 0 HA PHE A 63 6.776 -6.100 0.579 1.00 35.34 H new ATOM 0 HB2 PHE A 63 3.893 -6.147 -0.391 1.00 61.25 H new ATOM 0 HB3 PHE A 63 4.420 -6.859 1.121 1.00 61.25 H new ATOM 0 HD1 PHE A 63 3.903 -3.692 -0.687 1.00 72.43 H new ATOM 0 HD2 PHE A 63 4.986 -5.484 3.022 1.00 64.12 H new ATOM 0 HE1 PHE A 63 3.602 -1.533 0.440 1.00 64.00 H new ATOM 0 HE2 PHE A 63 4.691 -3.323 4.153 1.00 24.33 H new ATOM 0 HZ PHE A 63 4.003 -1.340 2.862 1.00 0.03 H new ATOM 958 N LYS A 64 7.155 -8.419 -0.111 1.00 20.14 N ATOM 959 CA LYS A 64 7.370 -9.827 -0.385 1.00 64.32 C ATOM 960 C LYS A 64 6.727 -10.674 0.708 1.00 22.35 C ATOM 961 O LYS A 64 7.230 -10.744 1.832 1.00 53.21 O ATOM 962 CB LYS A 64 8.868 -10.125 -0.464 1.00 42.25 C ATOM 963 CG LYS A 64 9.194 -11.602 -0.589 1.00 44.31 C ATOM 964 CD LYS A 64 10.655 -11.870 -0.277 1.00 44.43 C ATOM 965 CE LYS A 64 10.929 -13.360 -0.171 1.00 23.11 C ATOM 966 NZ LYS A 64 12.297 -13.640 0.335 1.00 43.32 N ATOM 0 H LYS A 64 7.840 -8.010 0.525 1.00 20.14 H new ATOM 0 HA LYS A 64 6.911 -10.074 -1.342 1.00 64.32 H new ATOM 0 HB2 LYS A 64 9.289 -9.596 -1.319 1.00 42.25 H new ATOM 0 HB3 LYS A 64 9.355 -9.729 0.427 1.00 42.25 H new ATOM 0 HG2 LYS A 64 8.563 -12.175 0.091 1.00 44.31 H new ATOM 0 HG3 LYS A 64 8.967 -11.943 -1.599 1.00 44.31 H new ATOM 0 HD2 LYS A 64 11.282 -11.437 -1.057 1.00 44.43 H new ATOM 0 HD3 LYS A 64 10.926 -11.380 0.658 1.00 44.43 H new ATOM 0 HE2 LYS A 64 10.196 -13.817 0.494 1.00 23.11 H new ATOM 0 HE3 LYS A 64 10.803 -13.822 -1.150 1.00 23.11 H new ATOM 0 HZ1 LYS A 64 12.360 -14.635 0.632 1.00 43.32 H new ATOM 0 HZ2 LYS A 64 12.990 -13.459 -0.419 1.00 43.32 H new ATOM 0 HZ3 LYS A 64 12.500 -13.023 1.147 1.00 43.32 H new ATOM 980 N PHE A 65 5.611 -11.302 0.381 1.00 2.51 N ATOM 981 CA PHE A 65 4.886 -12.118 1.344 1.00 73.24 C ATOM 982 C PHE A 65 5.413 -13.543 1.326 1.00 73.22 C ATOM 983 O PHE A 65 6.202 -13.903 0.454 1.00 14.42 O ATOM 984 CB PHE A 65 3.388 -12.101 1.036 1.00 41.34 C ATOM 985 CG PHE A 65 2.786 -10.731 1.132 1.00 74.01 C ATOM 986 CD1 PHE A 65 2.775 -9.886 0.037 1.00 34.14 C ATOM 987 CD2 PHE A 65 2.236 -10.289 2.321 1.00 40.12 C ATOM 988 CE1 PHE A 65 2.228 -8.623 0.128 1.00 14.21 C ATOM 989 CE2 PHE A 65 1.687 -9.027 2.419 1.00 0.42 C ATOM 990 CZ PHE A 65 1.684 -8.194 1.320 1.00 13.41 C ATOM 0 H PHE A 65 5.185 -11.263 -0.545 1.00 2.51 H new ATOM 0 HA PHE A 65 5.039 -11.701 2.340 1.00 73.24 H new ATOM 0 HB2 PHE A 65 3.224 -12.494 0.033 1.00 41.34 H new ATOM 0 HB3 PHE A 65 2.873 -12.768 1.728 1.00 41.34 H new ATOM 0 HD1 PHE A 65 3.199 -10.219 -0.899 1.00 34.14 H new ATOM 0 HD2 PHE A 65 2.236 -10.939 3.183 1.00 40.12 H new ATOM 0 HE1 PHE A 65 2.226 -7.971 -0.733 1.00 14.21 H new ATOM 0 HE2 PHE A 65 1.261 -8.693 3.353 1.00 0.42 H new ATOM 0 HZ PHE A 65 1.255 -7.205 1.393 1.00 13.41 H new ATOM 1000 N GLU A 66 4.987 -14.344 2.296 1.00 60.34 N ATOM 1001 CA GLU A 66 5.406 -15.732 2.382 1.00 61.32 C ATOM 1002 C GLU A 66 4.986 -16.482 1.121 1.00 44.53 C ATOM 1003 O GLU A 66 5.813 -17.053 0.411 1.00 5.15 O ATOM 1004 CB GLU A 66 4.779 -16.379 3.616 1.00 20.54 C ATOM 1005 CG GLU A 66 4.983 -15.576 4.890 1.00 34.15 C ATOM 1006 CD GLU A 66 4.340 -16.225 6.098 1.00 21.31 C ATOM 1007 OE1 GLU A 66 3.202 -16.719 5.978 1.00 75.11 O ATOM 1008 OE2 GLU A 66 4.965 -16.236 7.180 1.00 62.31 O ATOM 0 H GLU A 66 4.349 -14.051 3.036 1.00 60.34 H new ATOM 0 HA GLU A 66 6.492 -15.777 2.469 1.00 61.32 H new ATOM 0 HB2 GLU A 66 3.710 -16.509 3.445 1.00 20.54 H new ATOM 0 HB3 GLU A 66 5.204 -17.374 3.751 1.00 20.54 H new ATOM 0 HG2 GLU A 66 6.051 -15.456 5.072 1.00 34.15 H new ATOM 0 HG3 GLU A 66 4.568 -14.577 4.755 1.00 34.15 H new ATOM 1015 N VAL A 67 3.691 -16.452 0.844 1.00 72.12 N ATOM 1016 CA VAL A 67 3.139 -17.047 -0.361 1.00 22.42 C ATOM 1017 C VAL A 67 2.165 -16.075 -1.018 1.00 32.32 C ATOM 1018 O VAL A 67 1.820 -15.045 -0.430 1.00 33.01 O ATOM 1019 CB VAL A 67 2.415 -18.379 -0.070 1.00 1.22 C ATOM 1020 CG1 VAL A 67 3.398 -19.439 0.398 1.00 2.41 C ATOM 1021 CG2 VAL A 67 1.312 -18.180 0.955 1.00 31.10 C ATOM 0 H VAL A 67 2.995 -16.015 1.448 1.00 72.12 H new ATOM 0 HA VAL A 67 3.971 -17.258 -1.032 1.00 22.42 H new ATOM 0 HB VAL A 67 1.960 -18.725 -0.998 1.00 1.22 H new ATOM 0 HG11 VAL A 67 2.864 -20.368 0.597 1.00 2.41 H new ATOM 0 HG12 VAL A 67 4.146 -19.609 -0.376 1.00 2.41 H new ATOM 0 HG13 VAL A 67 3.890 -19.101 1.310 1.00 2.41 H new ATOM 0 HG21 VAL A 67 0.815 -19.132 1.145 1.00 31.10 H new ATOM 0 HG22 VAL A 67 1.742 -17.804 1.883 1.00 31.10 H new ATOM 0 HG23 VAL A 67 0.586 -17.462 0.574 1.00 31.10 H new ATOM 1031 N SER A 68 1.710 -16.406 -2.219 1.00 11.12 N ATOM 1032 CA SER A 68 0.826 -15.530 -2.975 1.00 61.22 C ATOM 1033 C SER A 68 -0.551 -15.425 -2.323 1.00 14.24 C ATOM 1034 O SER A 68 -1.276 -14.452 -2.531 1.00 62.30 O ATOM 1035 CB SER A 68 0.710 -16.030 -4.414 1.00 55.33 C ATOM 1036 OG SER A 68 0.501 -17.435 -4.451 1.00 71.41 O ATOM 0 H SER A 68 1.940 -17.280 -2.692 1.00 11.12 H new ATOM 0 HA SER A 68 1.257 -14.529 -2.980 1.00 61.22 H new ATOM 0 HB2 SER A 68 -0.116 -15.523 -4.913 1.00 55.33 H new ATOM 0 HB3 SER A 68 1.617 -15.779 -4.964 1.00 55.33 H new ATOM 0 HG SER A 68 0.428 -17.730 -5.383 1.00 71.41 H new ATOM 1042 N ALA A 69 -0.887 -16.422 -1.520 1.00 73.21 N ATOM 1043 CA ALA A 69 -2.168 -16.453 -0.822 1.00 21.23 C ATOM 1044 C ALA A 69 -2.243 -15.341 0.220 1.00 11.20 C ATOM 1045 O ALA A 69 -3.236 -14.620 0.301 1.00 73.32 O ATOM 1046 CB ALA A 69 -2.382 -17.812 -0.171 1.00 52.05 C ATOM 0 H ALA A 69 -0.288 -17.226 -1.333 1.00 73.21 H new ATOM 0 HA ALA A 69 -2.961 -16.288 -1.551 1.00 21.23 H new ATOM 0 HB1 ALA A 69 -3.341 -17.821 0.346 1.00 52.05 H new ATOM 0 HB2 ALA A 69 -2.376 -18.587 -0.937 1.00 52.05 H new ATOM 0 HB3 ALA A 69 -1.582 -18.003 0.545 1.00 52.05 H new ATOM 1052 N GLU A 70 -1.172 -15.197 0.996 1.00 52.11 N ATOM 1053 CA GLU A 70 -1.078 -14.152 2.011 1.00 32.40 C ATOM 1054 C GLU A 70 -1.160 -12.778 1.351 1.00 33.13 C ATOM 1055 O GLU A 70 -1.779 -11.850 1.875 1.00 73.21 O ATOM 1056 CB GLU A 70 0.243 -14.285 2.774 1.00 33.54 C ATOM 1057 CG GLU A 70 0.511 -15.684 3.307 1.00 73.35 C ATOM 1058 CD GLU A 70 -0.549 -16.163 4.277 1.00 62.34 C ATOM 1059 OE1 GLU A 70 -0.425 -15.874 5.485 1.00 64.42 O ATOM 1060 OE2 GLU A 70 -1.500 -16.845 3.842 1.00 11.13 O ATOM 0 H GLU A 70 -0.349 -15.798 0.940 1.00 52.11 H new ATOM 0 HA GLU A 70 -1.906 -14.260 2.711 1.00 32.40 H new ATOM 0 HB2 GLU A 70 1.062 -13.995 2.116 1.00 33.54 H new ATOM 0 HB3 GLU A 70 0.241 -13.584 3.608 1.00 33.54 H new ATOM 0 HG2 GLU A 70 0.571 -16.380 2.470 1.00 73.35 H new ATOM 0 HG3 GLU A 70 1.482 -15.698 3.803 1.00 73.35 H new ATOM 1067 N LYS A 71 -0.536 -12.679 0.184 1.00 24.25 N ATOM 1068 CA LYS A 71 -0.545 -11.461 -0.613 1.00 4.51 C ATOM 1069 C LYS A 71 -1.968 -11.051 -0.941 1.00 13.41 C ATOM 1070 O LYS A 71 -2.397 -9.940 -0.640 1.00 54.14 O ATOM 1071 CB LYS A 71 0.192 -11.702 -1.922 1.00 62.22 C ATOM 1072 CG LYS A 71 0.429 -10.440 -2.732 1.00 44.35 C ATOM 1073 CD LYS A 71 0.808 -10.763 -4.166 1.00 24.12 C ATOM 1074 CE LYS A 71 -0.266 -11.599 -4.846 1.00 53.03 C ATOM 1075 NZ LYS A 71 0.032 -11.827 -6.280 1.00 64.44 N ATOM 0 H LYS A 71 -0.008 -13.444 -0.237 1.00 24.25 H new ATOM 0 HA LYS A 71 -0.059 -10.673 -0.038 1.00 4.51 H new ATOM 0 HB2 LYS A 71 1.152 -12.170 -1.707 1.00 62.22 H new ATOM 0 HB3 LYS A 71 -0.379 -12.408 -2.525 1.00 62.22 H new ATOM 0 HG2 LYS A 71 -0.471 -9.825 -2.722 1.00 44.35 H new ATOM 0 HG3 LYS A 71 1.221 -9.852 -2.269 1.00 44.35 H new ATOM 0 HD2 LYS A 71 0.958 -9.838 -4.722 1.00 24.12 H new ATOM 0 HD3 LYS A 71 1.756 -11.302 -4.182 1.00 24.12 H new ATOM 0 HE2 LYS A 71 -0.354 -12.559 -4.337 1.00 53.03 H new ATOM 0 HE3 LYS A 71 -1.229 -11.098 -4.751 1.00 53.03 H new ATOM 0 HZ1 LYS A 71 -0.749 -12.357 -6.717 1.00 64.44 H new ATOM 0 HZ2 LYS A 71 0.141 -10.912 -6.762 1.00 64.44 H new ATOM 0 HZ3 LYS A 71 0.913 -12.373 -6.369 1.00 64.44 H new ATOM 1089 N LEU A 72 -2.675 -11.971 -1.579 1.00 25.54 N ATOM 1090 CA LEU A 72 -4.058 -11.749 -1.997 1.00 42.44 C ATOM 1091 C LEU A 72 -4.925 -11.261 -0.839 1.00 42.40 C ATOM 1092 O LEU A 72 -5.721 -10.340 -1.004 1.00 3.22 O ATOM 1093 CB LEU A 72 -4.654 -13.030 -2.586 1.00 2.52 C ATOM 1094 CG LEU A 72 -3.951 -13.560 -3.837 1.00 41.14 C ATOM 1095 CD1 LEU A 72 -4.601 -14.851 -4.305 1.00 24.12 C ATOM 1096 CD2 LEU A 72 -3.969 -12.518 -4.944 1.00 52.34 C ATOM 0 H LEU A 72 -2.311 -12.892 -1.823 1.00 25.54 H new ATOM 0 HA LEU A 72 -4.045 -10.973 -2.762 1.00 42.44 H new ATOM 0 HB2 LEU A 72 -4.634 -13.806 -1.821 1.00 2.52 H new ATOM 0 HB3 LEU A 72 -5.701 -12.847 -2.827 1.00 2.52 H new ATOM 0 HG LEU A 72 -2.912 -13.770 -3.585 1.00 41.14 H new ATOM 0 HD11 LEU A 72 -4.089 -15.214 -5.196 1.00 24.12 H new ATOM 0 HD12 LEU A 72 -4.532 -15.600 -3.516 1.00 24.12 H new ATOM 0 HD13 LEU A 72 -5.649 -14.666 -4.539 1.00 24.12 H new ATOM 0 HD21 LEU A 72 -3.464 -12.914 -5.825 1.00 52.34 H new ATOM 0 HD22 LEU A 72 -5.001 -12.273 -5.196 1.00 52.34 H new ATOM 0 HD23 LEU A 72 -3.455 -11.618 -4.605 1.00 52.34 H new ATOM 1108 N ILE A 73 -4.761 -11.873 0.328 1.00 31.41 N ATOM 1109 CA ILE A 73 -5.514 -11.470 1.514 1.00 21.32 C ATOM 1110 C ILE A 73 -5.195 -10.022 1.883 1.00 63.31 C ATOM 1111 O ILE A 73 -6.095 -9.220 2.137 1.00 21.23 O ATOM 1112 CB ILE A 73 -5.202 -12.387 2.717 1.00 24.12 C ATOM 1113 CG1 ILE A 73 -5.506 -13.844 2.362 1.00 4.54 C ATOM 1114 CG2 ILE A 73 -6.004 -11.955 3.938 1.00 12.53 C ATOM 1115 CD1 ILE A 73 -5.069 -14.833 3.421 1.00 15.11 C ATOM 0 H ILE A 73 -4.116 -12.648 0.480 1.00 31.41 H new ATOM 0 HA ILE A 73 -6.574 -11.560 1.275 1.00 21.32 H new ATOM 0 HB ILE A 73 -4.142 -12.301 2.956 1.00 24.12 H new ATOM 0 HG12 ILE A 73 -6.578 -13.952 2.197 1.00 4.54 H new ATOM 0 HG13 ILE A 73 -5.012 -14.090 1.422 1.00 4.54 H new ATOM 0 HG21 ILE A 73 -5.772 -12.612 4.777 1.00 12.53 H new ATOM 0 HG22 ILE A 73 -5.746 -10.929 4.199 1.00 12.53 H new ATOM 0 HG23 ILE A 73 -7.069 -12.015 3.714 1.00 12.53 H new ATOM 0 HD11 ILE A 73 -5.317 -15.844 3.099 1.00 15.11 H new ATOM 0 HD12 ILE A 73 -3.992 -14.754 3.570 1.00 15.11 H new ATOM 0 HD13 ILE A 73 -5.582 -14.614 4.357 1.00 15.11 H new ATOM 1127 N PHE A 74 -3.911 -9.694 1.895 1.00 23.12 N ATOM 1128 CA PHE A 74 -3.462 -8.331 2.153 1.00 1.14 C ATOM 1129 C PHE A 74 -4.075 -7.366 1.144 1.00 62.20 C ATOM 1130 O PHE A 74 -4.589 -6.309 1.516 1.00 65.40 O ATOM 1131 CB PHE A 74 -1.934 -8.263 2.090 1.00 4.03 C ATOM 1132 CG PHE A 74 -1.368 -6.872 2.164 1.00 32.20 C ATOM 1133 CD1 PHE A 74 -1.187 -6.245 3.385 1.00 13.20 C ATOM 1134 CD2 PHE A 74 -1.001 -6.195 1.009 1.00 11.30 C ATOM 1135 CE1 PHE A 74 -0.653 -4.972 3.453 1.00 34.21 C ATOM 1136 CE2 PHE A 74 -0.468 -4.922 1.071 1.00 14.34 C ATOM 1137 CZ PHE A 74 -0.293 -4.311 2.295 1.00 2.10 C ATOM 0 H PHE A 74 -3.155 -10.358 1.728 1.00 23.12 H new ATOM 0 HA PHE A 74 -3.789 -8.039 3.151 1.00 1.14 H new ATOM 0 HB2 PHE A 74 -1.523 -8.853 2.909 1.00 4.03 H new ATOM 0 HB3 PHE A 74 -1.600 -8.729 1.163 1.00 4.03 H new ATOM 0 HD1 PHE A 74 -1.466 -6.756 4.294 1.00 13.20 H new ATOM 0 HD2 PHE A 74 -1.134 -6.670 0.048 1.00 11.30 H new ATOM 0 HE1 PHE A 74 -0.517 -4.494 4.412 1.00 34.21 H new ATOM 0 HE2 PHE A 74 -0.189 -4.407 0.164 1.00 14.34 H new ATOM 0 HZ PHE A 74 0.125 -3.317 2.348 1.00 2.10 H new ATOM 1147 N GLU A 75 -4.031 -7.742 -0.131 1.00 4.13 N ATOM 1148 CA GLU A 75 -4.591 -6.918 -1.196 1.00 72.15 C ATOM 1149 C GLU A 75 -6.089 -6.731 -1.007 1.00 32.53 C ATOM 1150 O GLU A 75 -6.622 -5.651 -1.253 1.00 62.43 O ATOM 1151 CB GLU A 75 -4.306 -7.532 -2.570 1.00 51.24 C ATOM 1152 CG GLU A 75 -2.833 -7.552 -2.938 1.00 62.33 C ATOM 1153 CD GLU A 75 -2.601 -7.922 -4.389 1.00 3.33 C ATOM 1154 OE1 GLU A 75 -2.828 -7.057 -5.266 1.00 73.13 O ATOM 1155 OE2 GLU A 75 -2.184 -9.065 -4.664 1.00 32.14 O ATOM 0 H GLU A 75 -3.612 -8.615 -0.452 1.00 4.13 H new ATOM 0 HA GLU A 75 -4.110 -5.941 -1.147 1.00 72.15 H new ATOM 0 HB2 GLU A 75 -4.690 -8.552 -2.588 1.00 51.24 H new ATOM 0 HB3 GLU A 75 -4.853 -6.972 -3.329 1.00 51.24 H new ATOM 0 HG2 GLU A 75 -2.400 -6.571 -2.743 1.00 62.33 H new ATOM 0 HG3 GLU A 75 -2.312 -8.263 -2.297 1.00 62.33 H new ATOM 1162 N LEU A 76 -6.760 -7.778 -0.555 1.00 13.32 N ATOM 1163 CA LEU A 76 -8.175 -7.730 -0.284 1.00 61.35 C ATOM 1164 C LEU A 76 -8.488 -6.800 0.883 1.00 62.45 C ATOM 1165 O LEU A 76 -9.432 -6.017 0.823 1.00 34.12 O ATOM 1166 CB LEU A 76 -8.665 -9.141 0.017 1.00 23.13 C ATOM 1167 CG LEU A 76 -8.779 -10.068 -1.193 1.00 3.34 C ATOM 1168 CD1 LEU A 76 -9.108 -11.480 -0.746 1.00 34.43 C ATOM 1169 CD2 LEU A 76 -9.836 -9.557 -2.160 1.00 54.24 C ATOM 0 H LEU A 76 -6.331 -8.684 -0.367 1.00 13.32 H new ATOM 0 HA LEU A 76 -8.689 -7.335 -1.160 1.00 61.35 H new ATOM 0 HB2 LEU A 76 -7.987 -9.596 0.739 1.00 23.13 H new ATOM 0 HB3 LEU A 76 -9.642 -9.074 0.495 1.00 23.13 H new ATOM 0 HG LEU A 76 -7.819 -10.081 -1.709 1.00 3.34 H new ATOM 0 HD11 LEU A 76 -9.186 -12.129 -1.618 1.00 34.43 H new ATOM 0 HD12 LEU A 76 -8.319 -11.847 -0.090 1.00 34.43 H new ATOM 0 HD13 LEU A 76 -10.056 -11.480 -0.208 1.00 34.43 H new ATOM 0 HD21 LEU A 76 -9.903 -10.230 -3.015 1.00 54.24 H new ATOM 0 HD22 LEU A 76 -10.801 -9.515 -1.655 1.00 54.24 H new ATOM 0 HD23 LEU A 76 -9.563 -8.559 -2.504 1.00 54.24 H new ATOM 1181 N LYS A 77 -7.691 -6.873 1.940 1.00 21.14 N ATOM 1182 CA LYS A 77 -7.939 -6.063 3.129 1.00 63.11 C ATOM 1183 C LYS A 77 -7.598 -4.594 2.888 1.00 54.33 C ATOM 1184 O LYS A 77 -8.270 -3.703 3.406 1.00 62.34 O ATOM 1185 CB LYS A 77 -7.160 -6.603 4.334 1.00 21.20 C ATOM 1186 CG LYS A 77 -7.514 -8.040 4.685 1.00 12.41 C ATOM 1187 CD LYS A 77 -7.153 -8.389 6.122 1.00 15.24 C ATOM 1188 CE LYS A 77 -5.680 -8.166 6.425 1.00 34.55 C ATOM 1189 NZ LYS A 77 -5.334 -8.612 7.800 1.00 70.44 N ATOM 0 H LYS A 77 -6.873 -7.479 2.001 1.00 21.14 H new ATOM 0 HA LYS A 77 -9.005 -6.128 3.349 1.00 63.11 H new ATOM 0 HB2 LYS A 77 -6.092 -6.540 4.125 1.00 21.20 H new ATOM 0 HB3 LYS A 77 -7.354 -5.967 5.198 1.00 21.20 H new ATOM 0 HG2 LYS A 77 -8.582 -8.196 4.533 1.00 12.41 H new ATOM 0 HG3 LYS A 77 -6.993 -8.716 4.007 1.00 12.41 H new ATOM 0 HD2 LYS A 77 -7.755 -7.785 6.801 1.00 15.24 H new ATOM 0 HD3 LYS A 77 -7.406 -9.432 6.313 1.00 15.24 H new ATOM 0 HE2 LYS A 77 -5.072 -8.709 5.701 1.00 34.55 H new ATOM 0 HE3 LYS A 77 -5.440 -7.109 6.313 1.00 34.55 H new ATOM 0 HZ1 LYS A 77 -4.673 -7.934 8.229 1.00 70.44 H new ATOM 0 HZ2 LYS A 77 -6.198 -8.664 8.376 1.00 70.44 H new ATOM 0 HZ3 LYS A 77 -4.889 -9.551 7.759 1.00 70.44 H new ATOM 1203 N THR A 78 -6.575 -4.340 2.080 1.00 24.22 N ATOM 1204 CA THR A 78 -6.144 -2.975 1.806 1.00 74.35 C ATOM 1205 C THR A 78 -7.166 -2.219 0.961 1.00 5.51 C ATOM 1206 O THR A 78 -7.235 -0.993 1.012 1.00 5.03 O ATOM 1207 CB THR A 78 -4.773 -2.947 1.107 1.00 74.00 C ATOM 1208 OG1 THR A 78 -4.728 -3.938 0.076 1.00 32.10 O ATOM 1209 CG2 THR A 78 -3.654 -3.193 2.104 1.00 25.14 C ATOM 0 H THR A 78 -6.030 -5.059 1.605 1.00 24.22 H new ATOM 0 HA THR A 78 -6.056 -2.477 2.771 1.00 74.35 H new ATOM 0 HB THR A 78 -4.634 -1.960 0.666 1.00 74.00 H new ATOM 0 HG1 THR A 78 -4.563 -4.818 0.475 1.00 32.10 H new ATOM 0 HG21 THR A 78 -2.695 -3.169 1.587 1.00 25.14 H new ATOM 0 HG22 THR A 78 -3.673 -2.418 2.871 1.00 25.14 H new ATOM 0 HG23 THR A 78 -3.790 -4.169 2.570 1.00 25.14 H new ATOM 1217 N ARG A 79 -7.967 -2.955 0.196 1.00 52.41 N ATOM 1218 CA ARG A 79 -9.013 -2.364 -0.615 1.00 74.13 C ATOM 1219 C ARG A 79 -10.014 -1.607 0.254 1.00 24.43 C ATOM 1220 O ARG A 79 -10.399 -0.482 -0.061 1.00 62.13 O ATOM 1221 CB ARG A 79 -9.716 -3.459 -1.408 1.00 73.42 C ATOM 1222 CG ARG A 79 -8.839 -4.088 -2.473 1.00 24.34 C ATOM 1223 CD ARG A 79 -9.527 -5.265 -3.141 1.00 44.15 C ATOM 1224 NE ARG A 79 -8.655 -5.938 -4.102 1.00 53.30 N ATOM 1225 CZ ARG A 79 -9.061 -6.920 -4.910 1.00 51.21 C ATOM 1226 NH1 ARG A 79 -10.310 -7.373 -4.832 1.00 72.41 N ATOM 1227 NH2 ARG A 79 -8.212 -7.467 -5.770 1.00 62.12 N ATOM 0 H ARG A 79 -7.906 -3.971 0.125 1.00 52.41 H new ATOM 0 HA ARG A 79 -8.565 -1.649 -1.305 1.00 74.13 H new ATOM 0 HB2 ARG A 79 -10.054 -4.235 -0.721 1.00 73.42 H new ATOM 0 HB3 ARG A 79 -10.605 -3.042 -1.880 1.00 73.42 H new ATOM 0 HG2 ARG A 79 -8.585 -3.340 -3.224 1.00 24.34 H new ATOM 0 HG3 ARG A 79 -7.903 -4.420 -2.025 1.00 24.34 H new ATOM 0 HD2 ARG A 79 -9.846 -5.978 -2.380 1.00 44.15 H new ATOM 0 HD3 ARG A 79 -10.427 -4.918 -3.649 1.00 44.15 H new ATOM 0 HE ARG A 79 -7.681 -5.640 -4.158 1.00 53.30 H new ATOM 0 HH11 ARG A 79 -10.957 -6.970 -4.155 1.00 72.41 H new ATOM 0 HH12 ARG A 79 -10.620 -8.123 -5.450 1.00 72.41 H new ATOM 0 HH21 ARG A 79 -7.248 -7.137 -5.814 1.00 62.12 H new ATOM 0 HH22 ARG A 79 -8.523 -8.217 -6.387 1.00 62.12 H new ATOM 1241 N SER A 80 -10.410 -2.222 1.362 1.00 75.45 N ATOM 1242 CA SER A 80 -11.348 -1.614 2.287 1.00 23.52 C ATOM 1243 C SER A 80 -10.740 -0.408 3.004 1.00 33.52 C ATOM 1244 O SER A 80 -11.452 0.371 3.640 1.00 61.33 O ATOM 1245 CB SER A 80 -11.806 -2.655 3.307 1.00 14.32 C ATOM 1246 OG SER A 80 -12.623 -3.650 2.706 1.00 13.12 O ATOM 0 H SER A 80 -10.090 -3.150 1.640 1.00 75.45 H new ATOM 0 HA SER A 80 -12.203 -1.256 1.714 1.00 23.52 H new ATOM 0 HB2 SER A 80 -10.935 -3.125 3.764 1.00 14.32 H new ATOM 0 HB3 SER A 80 -12.359 -2.163 4.107 1.00 14.32 H new ATOM 0 HG SER A 80 -12.898 -4.301 3.385 1.00 13.12 H new ATOM 1252 N LEU A 81 -9.430 -0.256 2.898 1.00 53.14 N ATOM 1253 CA LEU A 81 -8.729 0.838 3.534 1.00 34.00 C ATOM 1254 C LEU A 81 -8.529 1.995 2.556 1.00 75.02 C ATOM 1255 O LEU A 81 -8.650 3.162 2.922 1.00 41.31 O ATOM 1256 CB LEU A 81 -7.376 0.337 4.042 1.00 70.12 C ATOM 1257 CG LEU A 81 -6.320 1.418 4.228 1.00 31.23 C ATOM 1258 CD1 LEU A 81 -6.649 2.298 5.427 1.00 13.13 C ATOM 1259 CD2 LEU A 81 -4.938 0.803 4.371 1.00 20.53 C ATOM 0 H LEU A 81 -8.828 -0.887 2.370 1.00 53.14 H new ATOM 0 HA LEU A 81 -9.324 1.204 4.371 1.00 34.00 H new ATOM 0 HB2 LEU A 81 -7.527 -0.170 4.995 1.00 70.12 H new ATOM 0 HB3 LEU A 81 -6.994 -0.407 3.342 1.00 70.12 H new ATOM 0 HG LEU A 81 -6.320 2.048 3.338 1.00 31.23 H new ATOM 0 HD11 LEU A 81 -5.880 3.062 5.539 1.00 13.13 H new ATOM 0 HD12 LEU A 81 -7.616 2.776 5.273 1.00 13.13 H new ATOM 0 HD13 LEU A 81 -6.686 1.686 6.328 1.00 13.13 H new ATOM 0 HD21 LEU A 81 -4.200 1.594 4.503 1.00 20.53 H new ATOM 0 HD22 LEU A 81 -4.921 0.143 5.238 1.00 20.53 H new ATOM 0 HD23 LEU A 81 -4.700 0.230 3.475 1.00 20.53 H new ATOM 1271 N ALA A 82 -8.248 1.654 1.308 1.00 65.32 N ATOM 1272 CA ALA A 82 -7.881 2.645 0.301 1.00 44.30 C ATOM 1273 C ALA A 82 -9.070 3.051 -0.570 1.00 51.31 C ATOM 1274 O ALA A 82 -8.887 3.389 -1.742 1.00 34.42 O ATOM 1275 CB ALA A 82 -6.757 2.099 -0.567 1.00 73.21 C ATOM 0 H ALA A 82 -8.267 0.694 0.964 1.00 65.32 H new ATOM 0 HA ALA A 82 -7.544 3.540 0.823 1.00 44.30 H new ATOM 0 HB1 ALA A 82 -6.484 2.840 -1.318 1.00 73.21 H new ATOM 0 HB2 ALA A 82 -5.890 1.878 0.056 1.00 73.21 H new ATOM 0 HB3 ALA A 82 -7.090 1.187 -1.062 1.00 73.21 H new ATOM 1281 N ARG A 83 -10.267 3.046 0.025 1.00 50.42 N ATOM 1282 CA ARG A 83 -11.510 3.423 -0.660 1.00 5.52 C ATOM 1283 C ARG A 83 -11.958 2.352 -1.660 1.00 73.54 C ATOM 1284 O ARG A 83 -11.181 1.875 -2.484 1.00 62.25 O ATOM 1285 CB ARG A 83 -11.350 4.784 -1.350 1.00 55.31 C ATOM 1286 CG ARG A 83 -12.500 5.170 -2.269 1.00 71.32 C ATOM 1287 CD ARG A 83 -13.785 5.418 -1.496 1.00 53.54 C ATOM 1288 NE ARG A 83 -13.750 6.673 -0.742 1.00 52.04 N ATOM 1289 CZ ARG A 83 -14.334 6.842 0.445 1.00 62.21 C ATOM 1290 NH1 ARG A 83 -14.871 5.806 1.081 1.00 40.54 N ATOM 1291 NH2 ARG A 83 -14.359 8.044 1.010 1.00 54.44 N ATOM 0 H ARG A 83 -10.403 2.779 1.000 1.00 50.42 H new ATOM 0 HA ARG A 83 -12.292 3.505 0.095 1.00 5.52 H new ATOM 0 HB2 ARG A 83 -11.240 5.553 -0.585 1.00 55.31 H new ATOM 0 HB3 ARG A 83 -10.427 4.776 -1.929 1.00 55.31 H new ATOM 0 HG2 ARG A 83 -12.233 6.068 -2.827 1.00 71.32 H new ATOM 0 HG3 ARG A 83 -12.663 4.377 -2.999 1.00 71.32 H new ATOM 0 HD2 ARG A 83 -14.625 5.438 -2.190 1.00 53.54 H new ATOM 0 HD3 ARG A 83 -13.958 4.589 -0.809 1.00 53.54 H new ATOM 0 HE ARG A 83 -13.250 7.464 -1.148 1.00 52.04 H new ATOM 0 HH11 ARG A 83 -14.838 4.877 0.661 1.00 40.54 H new ATOM 0 HH12 ARG A 83 -15.317 5.940 1.989 1.00 40.54 H new ATOM 0 HH21 ARG A 83 -13.931 8.839 0.536 1.00 54.44 H new ATOM 0 HH22 ARG A 83 -14.806 8.172 1.918 1.00 54.44 H new ATOM 1305 N LEU A 84 -13.231 1.991 -1.578 1.00 31.31 N ATOM 1306 CA LEU A 84 -13.812 0.974 -2.447 1.00 73.24 C ATOM 1307 C LEU A 84 -14.606 1.613 -3.577 1.00 32.40 C ATOM 1308 O LEU A 84 -15.828 1.468 -3.661 1.00 44.00 O ATOM 1309 CB LEU A 84 -14.722 0.045 -1.650 1.00 45.13 C ATOM 1310 CG LEU A 84 -14.015 -0.883 -0.661 1.00 63.00 C ATOM 1311 CD1 LEU A 84 -15.030 -1.614 0.203 1.00 41.44 C ATOM 1312 CD2 LEU A 84 -13.136 -1.877 -1.406 1.00 53.10 C ATOM 0 H LEU A 84 -13.889 2.392 -0.910 1.00 31.31 H new ATOM 0 HA LEU A 84 -12.993 0.396 -2.875 1.00 73.24 H new ATOM 0 HB2 LEU A 84 -15.441 0.653 -1.100 1.00 45.13 H new ATOM 0 HB3 LEU A 84 -15.291 -0.566 -2.351 1.00 45.13 H new ATOM 0 HG LEU A 84 -13.382 -0.279 -0.011 1.00 63.00 H new ATOM 0 HD11 LEU A 84 -14.509 -2.270 0.901 1.00 41.44 H new ATOM 0 HD12 LEU A 84 -15.623 -0.889 0.760 1.00 41.44 H new ATOM 0 HD13 LEU A 84 -15.687 -2.208 -0.432 1.00 41.44 H new ATOM 0 HD21 LEU A 84 -12.639 -2.531 -0.690 1.00 53.10 H new ATOM 0 HD22 LEU A 84 -13.752 -2.475 -2.077 1.00 53.10 H new ATOM 0 HD23 LEU A 84 -12.387 -1.337 -1.985 1.00 53.10 H new ATOM 1324 N GLU A 85 -13.915 2.343 -4.425 1.00 24.13 N ATOM 1325 CA GLU A 85 -14.548 2.936 -5.594 1.00 11.05 C ATOM 1326 C GLU A 85 -14.762 1.881 -6.673 1.00 12.02 C ATOM 1327 O GLU A 85 -14.209 0.782 -6.603 1.00 50.35 O ATOM 1328 CB GLU A 85 -13.715 4.088 -6.163 1.00 3.24 C ATOM 1329 CG GLU A 85 -12.287 3.700 -6.517 1.00 42.44 C ATOM 1330 CD GLU A 85 -11.599 4.740 -7.379 1.00 51.02 C ATOM 1331 OE1 GLU A 85 -11.012 5.688 -6.826 1.00 13.34 O ATOM 1332 OE2 GLU A 85 -11.643 4.608 -8.623 1.00 53.41 O ATOM 0 H GLU A 85 -12.919 2.543 -4.332 1.00 24.13 H new ATOM 0 HA GLU A 85 -15.511 3.335 -5.276 1.00 11.05 H new ATOM 0 HB2 GLU A 85 -14.208 4.474 -7.055 1.00 3.24 H new ATOM 0 HB3 GLU A 85 -13.691 4.900 -5.436 1.00 3.24 H new ATOM 0 HG2 GLU A 85 -11.715 3.557 -5.600 1.00 42.44 H new ATOM 0 HG3 GLU A 85 -12.293 2.745 -7.041 1.00 42.44 H new ATOM 1339 N HIS A 86 -15.551 2.228 -7.674 1.00 1.40 N ATOM 1340 CA HIS A 86 -15.819 1.325 -8.787 1.00 73.44 C ATOM 1341 C HIS A 86 -14.701 1.452 -9.823 1.00 70.34 C ATOM 1342 O HIS A 86 -14.935 1.818 -10.978 1.00 25.24 O ATOM 1343 CB HIS A 86 -17.189 1.636 -9.408 1.00 41.43 C ATOM 1344 CG HIS A 86 -17.671 0.598 -10.378 1.00 73.02 C ATOM 1345 ND1 HIS A 86 -17.924 0.871 -11.706 1.00 64.20 N ATOM 1346 CD2 HIS A 86 -17.969 -0.713 -10.203 1.00 34.22 C ATOM 1347 CE1 HIS A 86 -18.355 -0.225 -12.303 1.00 75.43 C ATOM 1348 NE2 HIS A 86 -18.392 -1.200 -11.416 1.00 73.51 N ATOM 0 H HIS A 86 -16.020 3.131 -7.742 1.00 1.40 H new ATOM 0 HA HIS A 86 -15.845 0.297 -8.425 1.00 73.44 H new ATOM 0 HB2 HIS A 86 -17.923 1.740 -8.609 1.00 41.43 H new ATOM 0 HB3 HIS A 86 -17.135 2.598 -9.918 1.00 41.43 H new ATOM 0 HD2 HIS A 86 -17.889 -1.271 -9.282 1.00 34.22 H new ATOM 0 HE1 HIS A 86 -18.631 -0.309 -13.344 1.00 75.43 H new ATOM 0 HE2 HIS A 86 -18.687 -2.159 -11.600 1.00 73.51 H new ATOM 1357 N HIS A 87 -13.481 1.141 -9.392 1.00 53.45 N ATOM 1358 CA HIS A 87 -12.286 1.314 -10.215 1.00 12.11 C ATOM 1359 C HIS A 87 -12.152 0.173 -11.224 1.00 12.21 C ATOM 1360 O HIS A 87 -11.138 -0.523 -11.272 1.00 64.14 O ATOM 1361 CB HIS A 87 -11.042 1.383 -9.318 1.00 31.32 C ATOM 1362 CG HIS A 87 -9.861 2.064 -9.952 1.00 30.10 C ATOM 1363 ND1 HIS A 87 -9.663 3.425 -9.899 1.00 32.34 N ATOM 1364 CD2 HIS A 87 -8.812 1.564 -10.647 1.00 3.41 C ATOM 1365 CE1 HIS A 87 -8.549 3.736 -10.531 1.00 52.14 C ATOM 1366 NE2 HIS A 87 -8.005 2.625 -10.993 1.00 73.21 N ATOM 0 H HIS A 87 -13.293 0.762 -8.464 1.00 53.45 H new ATOM 0 HA HIS A 87 -12.377 2.247 -10.770 1.00 12.11 H new ATOM 0 HB2 HIS A 87 -11.300 1.909 -8.399 1.00 31.32 H new ATOM 0 HB3 HIS A 87 -10.755 0.370 -9.036 1.00 31.32 H new ATOM 0 HD1 HIS A 87 -10.284 4.092 -9.440 1.00 32.34 H new ATOM 0 HD2 HIS A 87 -8.640 0.525 -10.886 1.00 3.41 H new ATOM 0 HE1 HIS A 87 -8.149 4.732 -10.651 1.00 52.14 H new ATOM 1375 N HIS A 88 -13.186 -0.011 -12.027 1.00 3.14 N ATOM 1376 CA HIS A 88 -13.192 -1.047 -13.048 1.00 3.10 C ATOM 1377 C HIS A 88 -13.633 -0.441 -14.377 1.00 25.35 C ATOM 1378 O HIS A 88 -14.289 -1.087 -15.189 1.00 71.11 O ATOM 1379 CB HIS A 88 -14.125 -2.195 -12.634 1.00 42.43 C ATOM 1380 CG HIS A 88 -13.964 -3.436 -13.462 1.00 33.23 C ATOM 1381 ND1 HIS A 88 -14.929 -3.892 -14.332 1.00 53.12 N ATOM 1382 CD2 HIS A 88 -12.941 -4.317 -13.544 1.00 74.44 C ATOM 1383 CE1 HIS A 88 -14.508 -4.999 -14.914 1.00 33.13 C ATOM 1384 NE2 HIS A 88 -13.303 -5.277 -14.454 1.00 2.34 N ATOM 0 H HIS A 88 -14.039 0.548 -11.991 1.00 3.14 H new ATOM 0 HA HIS A 88 -12.187 -1.455 -13.161 1.00 3.10 H new ATOM 0 HB2 HIS A 88 -13.941 -2.441 -11.588 1.00 42.43 H new ATOM 0 HB3 HIS A 88 -15.158 -1.854 -12.704 1.00 42.43 H new ATOM 0 HD2 HIS A 88 -12.012 -4.273 -12.995 1.00 74.44 H new ATOM 0 HE1 HIS A 88 -15.056 -5.578 -15.642 1.00 33.13 H new ATOM 0 HE2 HIS A 88 -12.733 -6.076 -14.730 1.00 2.34 H new ATOM 1393 N HIS A 89 -13.260 0.812 -14.590 1.00 51.13 N ATOM 1394 CA HIS A 89 -13.592 1.506 -15.824 1.00 62.13 C ATOM 1395 C HIS A 89 -12.431 2.399 -16.244 1.00 21.52 C ATOM 1396 O HIS A 89 -11.808 3.055 -15.408 1.00 22.13 O ATOM 1397 CB HIS A 89 -14.879 2.338 -15.668 1.00 23.25 C ATOM 1398 CG HIS A 89 -14.732 3.567 -14.816 1.00 73.32 C ATOM 1399 ND1 HIS A 89 -14.635 3.710 -13.473 1.00 62.12 N flip ATOM 1400 CD2 HIS A 89 -14.670 4.842 -15.339 1.00 23.31 C flip ATOM 1401 CE1 HIS A 89 -14.516 5.052 -13.211 1.00 74.35 C flip ATOM 1402 NE2 HIS A 89 -14.538 5.713 -14.353 1.00 0.01 N flip ATOM 0 H HIS A 89 -12.726 1.369 -13.923 1.00 51.13 H new ATOM 0 HA HIS A 89 -13.770 0.760 -16.599 1.00 62.13 H new ATOM 0 HB2 HIS A 89 -15.224 2.638 -16.658 1.00 23.25 H new ATOM 0 HB3 HIS A 89 -15.655 1.705 -15.238 1.00 23.25 H new ATOM 0 HD1 HIS A 89 -14.648 2.959 -12.783 1.00 62.12 H new ATOM 0 HD2 HIS A 89 -14.721 5.090 -16.389 1.00 23.31 H new ATOM 0 HE1 HIS A 89 -14.420 5.495 -12.231 1.00 74.35 H new ATOM 1411 N HIS A 90 -12.143 2.414 -17.531 1.00 55.41 N ATOM 1412 CA HIS A 90 -11.065 3.228 -18.065 1.00 55.23 C ATOM 1413 C HIS A 90 -11.405 3.664 -19.483 1.00 4.42 C ATOM 1414 O HIS A 90 -11.637 2.827 -20.350 1.00 65.15 O ATOM 1415 CB HIS A 90 -9.746 2.439 -18.056 1.00 0.41 C ATOM 1416 CG HIS A 90 -8.543 3.245 -18.456 1.00 73.22 C ATOM 1417 ND1 HIS A 90 -7.647 3.759 -17.544 1.00 21.40 N ATOM 1418 CD2 HIS A 90 -8.085 3.615 -19.677 1.00 4.12 C ATOM 1419 CE1 HIS A 90 -6.696 4.412 -18.185 1.00 0.14 C ATOM 1420 NE2 HIS A 90 -6.937 4.337 -19.478 1.00 42.53 N ATOM 0 H HIS A 90 -12.644 1.868 -18.232 1.00 55.41 H new ATOM 0 HA HIS A 90 -10.944 4.112 -17.438 1.00 55.23 H new ATOM 0 HB2 HIS A 90 -9.583 2.036 -17.056 1.00 0.41 H new ATOM 0 HB3 HIS A 90 -9.840 1.588 -18.731 1.00 0.41 H new ATOM 0 HD2 HIS A 90 -8.540 3.384 -20.629 1.00 4.12 H new ATOM 0 HE1 HIS A 90 -5.861 4.922 -17.727 1.00 0.14 H new ATOM 0 HE2 HIS A 90 -6.362 4.750 -20.213 1.00 42.53 H new ATOM 1429 N HIS A 91 -11.460 4.967 -19.706 1.00 5.52 N ATOM 1430 CA HIS A 91 -11.682 5.497 -21.043 1.00 4.43 C ATOM 1431 C HIS A 91 -10.350 5.641 -21.769 1.00 53.20 C ATOM 1432 O HIS A 91 -9.883 4.646 -22.359 1.00 38.55 O ATOM 1433 CB HIS A 91 -12.399 6.850 -20.984 1.00 71.54 C ATOM 1434 CG HIS A 91 -13.827 6.764 -20.538 1.00 4.20 C ATOM 1435 ND1 HIS A 91 -14.248 7.111 -19.273 1.00 44.22 N ATOM 1436 CD2 HIS A 91 -14.939 6.388 -21.209 1.00 30.40 C ATOM 1437 CE1 HIS A 91 -15.556 6.954 -19.190 1.00 14.32 C ATOM 1438 NE2 HIS A 91 -16.004 6.518 -20.352 1.00 13.34 N ATOM 1439 OXT HIS A 91 -9.762 6.740 -21.724 1.00 38.55 O ATOM 0 H HIS A 91 -11.354 5.676 -18.981 1.00 5.52 H new ATOM 0 HA HIS A 91 -12.317 4.800 -21.590 1.00 4.43 H new ATOM 0 HB2 HIS A 91 -11.856 7.508 -20.305 1.00 71.54 H new ATOM 0 HB3 HIS A 91 -12.364 7.311 -21.971 1.00 71.54 H new ATOM 0 HD2 HIS A 91 -14.982 6.047 -22.233 1.00 30.40 H new ATOM 0 HE1 HIS A 91 -16.159 7.150 -18.316 1.00 14.32 H new ATOM 0 HE2 HIS A 91 -16.978 6.312 -20.576 1.00 13.34 H new TER 1448 HIS A 91