USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 563 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 56 SER OG : rot 180:sc= 0.55 USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 53 LYS NZ :NH3+ -124:sc= 0.822 (180deg=0.741) USER MOD Set 2.2: A 64 TYR OH : rot 180:sc= -0.524 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.7!) USER MOD Single : A 17 SER OG : rot 150:sc= -0.295 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -117:sc= 0.435 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 39:sc= 0.652 USER MOD Single : A 41 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.445) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 140:sc= 0 USER MOD Single : A 69 CYS SG : rot -173:sc= -1.45 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.763 -15.475 -44.490 1.00 0.00 N ATOM 2 CA GLY A 1 -1.246 -14.258 -43.892 1.00 0.00 C ATOM 3 C GLY A 1 -1.804 -14.012 -42.504 1.00 0.00 C ATOM 4 O GLY A 1 -3.008 -14.136 -42.280 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.352 -15.598 -45.437 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.510 -16.289 -43.894 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.798 -15.411 -44.568 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.159 -14.317 -43.838 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.488 -13.410 -44.533 1.00 0.00 H new ATOM 8 N SER A 2 -0.926 -13.664 -41.568 1.00 0.00 N ATOM 9 CA SER A 2 -1.336 -13.406 -40.193 1.00 0.00 C ATOM 10 C SER A 2 -2.086 -12.081 -40.090 1.00 0.00 C ATOM 11 O SER A 2 -3.250 -12.044 -39.690 1.00 0.00 O ATOM 12 CB SER A 2 -0.116 -13.387 -39.270 1.00 0.00 C ATOM 13 OG SER A 2 0.563 -14.631 -39.297 1.00 0.00 O ATOM 0 H SER A 2 0.074 -13.554 -41.737 1.00 0.00 H new ATOM 0 HA SER A 2 -2.005 -14.208 -39.882 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.563 -12.592 -39.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.431 -13.163 -38.251 1.00 0.00 H new ATOM 0 HG SER A 2 1.340 -14.593 -38.701 1.00 0.00 H new ATOM 19 N SER A 3 -1.410 -10.996 -40.453 1.00 0.00 N ATOM 20 CA SER A 3 -2.010 -9.668 -40.398 1.00 0.00 C ATOM 21 C SER A 3 -2.330 -9.275 -38.958 1.00 0.00 C ATOM 22 O SER A 3 -3.394 -8.728 -38.674 1.00 0.00 O ATOM 23 CB SER A 3 -3.284 -9.625 -41.245 1.00 0.00 C ATOM 24 OG SER A 3 -3.036 -10.085 -42.562 1.00 0.00 O ATOM 0 H SER A 3 -0.447 -11.010 -40.788 1.00 0.00 H new ATOM 0 HA SER A 3 -1.290 -8.955 -40.800 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.054 -10.240 -40.780 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.668 -8.605 -41.279 1.00 0.00 H new ATOM 0 HG SER A 3 -3.866 -10.049 -43.083 1.00 0.00 H new ATOM 30 N GLY A 4 -1.399 -9.560 -38.053 1.00 0.00 N ATOM 31 CA GLY A 4 -1.599 -9.231 -36.654 1.00 0.00 C ATOM 32 C GLY A 4 -1.108 -10.324 -35.725 1.00 0.00 C ATOM 33 O GLY A 4 -1.589 -11.456 -35.778 1.00 0.00 O ATOM 0 H GLY A 4 -0.510 -10.013 -38.264 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.077 -8.302 -36.424 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.659 -9.054 -36.474 1.00 0.00 H new ATOM 37 N SER A 5 -0.146 -9.986 -34.872 1.00 0.00 N ATOM 38 CA SER A 5 0.415 -10.948 -33.932 1.00 0.00 C ATOM 39 C SER A 5 -0.176 -10.754 -32.539 1.00 0.00 C ATOM 40 O SER A 5 -0.444 -9.629 -32.117 1.00 0.00 O ATOM 41 CB SER A 5 1.937 -10.811 -33.875 1.00 0.00 C ATOM 42 OG SER A 5 2.525 -11.913 -33.206 1.00 0.00 O ATOM 0 H SER A 5 0.261 -9.053 -34.813 1.00 0.00 H new ATOM 0 HA SER A 5 0.161 -11.949 -34.281 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.337 -10.741 -34.887 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.203 -9.887 -33.362 1.00 0.00 H new ATOM 0 HG SER A 5 3.498 -11.801 -33.185 1.00 0.00 H new ATOM 48 N SER A 6 -0.378 -11.859 -31.829 1.00 0.00 N ATOM 49 CA SER A 6 -0.941 -11.813 -30.485 1.00 0.00 C ATOM 50 C SER A 6 -0.566 -13.063 -29.694 1.00 0.00 C ATOM 51 O SER A 6 -0.268 -14.108 -30.270 1.00 0.00 O ATOM 52 CB SER A 6 -2.464 -11.676 -30.551 1.00 0.00 C ATOM 53 OG SER A 6 -2.995 -11.271 -29.301 1.00 0.00 O ATOM 0 H SER A 6 -0.160 -12.798 -32.163 1.00 0.00 H new ATOM 0 HA SER A 6 -0.526 -10.944 -29.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.734 -10.949 -31.317 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.905 -12.628 -30.846 1.00 0.00 H new ATOM 0 HG SER A 6 -3.969 -11.189 -29.370 1.00 0.00 H new ATOM 59 N GLY A 7 -0.583 -12.945 -28.370 1.00 0.00 N ATOM 60 CA GLY A 7 -0.242 -14.072 -27.521 1.00 0.00 C ATOM 61 C GLY A 7 -0.845 -13.957 -26.135 1.00 0.00 C ATOM 62 O GLY A 7 -1.759 -13.167 -25.896 1.00 0.00 O ATOM 0 H GLY A 7 -0.827 -12.090 -27.870 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.588 -14.993 -27.989 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.842 -14.145 -27.437 1.00 0.00 H new ATOM 66 N PRO A 8 -0.330 -14.760 -25.193 1.00 0.00 N ATOM 67 CA PRO A 8 -0.809 -14.764 -23.808 1.00 0.00 C ATOM 68 C PRO A 8 -0.437 -13.488 -23.061 1.00 0.00 C ATOM 69 O PRO A 8 0.595 -12.875 -23.336 1.00 0.00 O ATOM 70 CB PRO A 8 -0.099 -15.971 -23.190 1.00 0.00 C ATOM 71 CG PRO A 8 1.131 -16.149 -24.012 1.00 0.00 C ATOM 72 CD PRO A 8 0.761 -15.726 -25.407 1.00 0.00 C ATOM 0 HA PRO A 8 -1.896 -14.818 -23.754 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.147 -15.792 -22.143 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.729 -16.860 -23.222 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.950 -15.543 -23.625 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.466 -17.186 -23.994 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.605 -15.271 -25.926 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.435 -16.573 -26.011 1.00 0.00 H new ATOM 80 N LEU A 9 -1.283 -13.092 -22.117 1.00 0.00 N ATOM 81 CA LEU A 9 -1.042 -11.887 -21.330 1.00 0.00 C ATOM 82 C LEU A 9 -0.565 -12.241 -19.925 1.00 0.00 C ATOM 83 O LEU A 9 -0.820 -13.331 -19.412 1.00 0.00 O ATOM 84 CB LEU A 9 -2.316 -11.043 -21.251 1.00 0.00 C ATOM 85 CG LEU A 9 -2.682 -10.262 -22.513 1.00 0.00 C ATOM 86 CD1 LEU A 9 -4.017 -9.555 -22.335 1.00 0.00 C ATOM 87 CD2 LEU A 9 -1.588 -9.261 -22.857 1.00 0.00 C ATOM 0 H LEU A 9 -2.142 -13.587 -21.878 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.261 -11.310 -21.824 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.149 -11.700 -21.000 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.209 -10.336 -20.428 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.775 -10.967 -23.339 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.261 -9.004 -23.243 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.795 -10.292 -22.137 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.953 -8.861 -21.497 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.866 -8.714 -23.758 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.463 -8.560 -22.031 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.651 -9.791 -23.028 1.00 0.00 H new ATOM 99 N PRO A 10 0.142 -11.298 -19.285 1.00 0.00 N ATOM 100 CA PRO A 10 0.667 -11.486 -17.929 1.00 0.00 C ATOM 101 C PRO A 10 -0.438 -11.510 -16.878 1.00 0.00 C ATOM 102 O PRO A 10 -0.167 -11.614 -15.682 1.00 0.00 O ATOM 103 CB PRO A 10 1.571 -10.267 -17.727 1.00 0.00 C ATOM 104 CG PRO A 10 1.021 -9.231 -18.645 1.00 0.00 C ATOM 105 CD PRO A 10 0.483 -9.975 -19.835 1.00 0.00 C ATOM 0 HA PRO A 10 1.183 -12.440 -17.820 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.553 -9.928 -16.691 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.608 -10.499 -17.968 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.235 -8.655 -18.157 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.795 -8.524 -18.944 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.390 -9.479 -20.258 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.224 -10.050 -20.631 1.00 0.00 H new ATOM 113 N ASN A 11 -1.683 -11.413 -17.332 1.00 0.00 N ATOM 114 CA ASN A 11 -2.829 -11.424 -16.430 1.00 0.00 C ATOM 115 C ASN A 11 -2.571 -12.335 -15.234 1.00 0.00 C ATOM 116 O ASN A 11 -1.944 -13.389 -15.348 1.00 0.00 O ATOM 117 CB ASN A 11 -4.085 -11.883 -17.173 1.00 0.00 C ATOM 118 CG ASN A 11 -4.486 -10.925 -18.278 1.00 0.00 C ATOM 119 OD1 ASN A 11 -4.661 -11.326 -19.429 1.00 0.00 O ATOM 120 ND2 ASN A 11 -4.632 -9.651 -17.932 1.00 0.00 N ATOM 0 H ASN A 11 -1.924 -11.326 -18.319 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.982 -10.408 -16.065 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.911 -12.871 -17.598 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.908 -11.981 -16.464 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.900 -8.960 -18.633 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.477 -9.364 -16.966 1.00 0.00 H new ATOM 127 N PRO A 12 -3.065 -11.921 -14.058 1.00 0.00 N ATOM 128 CA PRO A 12 -2.902 -12.686 -12.817 1.00 0.00 C ATOM 129 C PRO A 12 -3.718 -13.974 -12.818 1.00 0.00 C ATOM 130 O PRO A 12 -3.689 -14.738 -11.854 1.00 0.00 O ATOM 131 CB PRO A 12 -3.416 -11.728 -11.740 1.00 0.00 C ATOM 132 CG PRO A 12 -4.366 -10.829 -12.454 1.00 0.00 C ATOM 133 CD PRO A 12 -3.822 -10.676 -13.848 1.00 0.00 C ATOM 0 HA PRO A 12 -1.870 -13.004 -12.667 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.912 -12.268 -10.934 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.599 -11.164 -11.290 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.369 -11.255 -12.471 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.439 -9.863 -11.955 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.621 -10.563 -14.581 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.183 -9.798 -13.936 1.00 0.00 H new ATOM 141 N GLU A 13 -4.444 -14.208 -13.907 1.00 0.00 N ATOM 142 CA GLU A 13 -5.268 -15.405 -14.032 1.00 0.00 C ATOM 143 C GLU A 13 -4.557 -16.619 -13.440 1.00 0.00 C ATOM 144 O GLU A 13 -3.779 -17.288 -14.119 1.00 0.00 O ATOM 145 CB GLU A 13 -5.609 -15.665 -15.501 1.00 0.00 C ATOM 146 CG GLU A 13 -6.353 -16.970 -15.731 1.00 0.00 C ATOM 147 CD GLU A 13 -6.951 -17.063 -17.121 1.00 0.00 C ATOM 148 OE1 GLU A 13 -6.218 -16.811 -18.100 1.00 0.00 O ATOM 149 OE2 GLU A 13 -8.152 -17.386 -17.230 1.00 0.00 O ATOM 0 H GLU A 13 -4.478 -13.585 -14.714 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.191 -15.240 -13.476 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.215 -14.840 -15.876 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.687 -15.674 -16.083 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.670 -17.805 -15.577 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.147 -17.067 -14.991 1.00 0.00 H new ATOM 156 N GLY A 14 -4.832 -16.896 -12.169 1.00 0.00 N ATOM 157 CA GLY A 14 -4.211 -18.028 -11.507 1.00 0.00 C ATOM 158 C GLY A 14 -4.115 -17.841 -10.005 1.00 0.00 C ATOM 159 O GLY A 14 -4.966 -18.323 -9.256 1.00 0.00 O ATOM 0 H GLY A 14 -5.473 -16.357 -11.587 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.784 -18.930 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.212 -18.181 -11.916 1.00 0.00 H new ATOM 163 N LEU A 15 -3.077 -17.139 -9.564 1.00 0.00 N ATOM 164 CA LEU A 15 -2.872 -16.890 -8.141 1.00 0.00 C ATOM 165 C LEU A 15 -2.924 -15.396 -7.837 1.00 0.00 C ATOM 166 O LEU A 15 -2.145 -14.614 -8.381 1.00 0.00 O ATOM 167 CB LEU A 15 -1.529 -17.467 -7.690 1.00 0.00 C ATOM 168 CG LEU A 15 -1.423 -18.993 -7.679 1.00 0.00 C ATOM 169 CD1 LEU A 15 0.032 -19.427 -7.608 1.00 0.00 C ATOM 170 CD2 LEU A 15 -2.212 -19.573 -6.514 1.00 0.00 C ATOM 0 H LEU A 15 -2.365 -16.732 -10.170 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.675 -17.382 -7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.750 -17.073 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.318 -17.101 -6.685 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.849 -19.374 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.087 -20.516 -7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.569 -19.042 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.485 -19.035 -6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.126 -20.660 -6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.815 -19.184 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.261 -19.292 -6.609 1.00 0.00 H new ATOM 182 N ASP A 16 -3.846 -15.008 -6.962 1.00 0.00 N ATOM 183 CA ASP A 16 -3.998 -13.608 -6.583 1.00 0.00 C ATOM 184 C ASP A 16 -2.889 -13.181 -5.626 1.00 0.00 C ATOM 185 O ASP A 16 -2.282 -14.014 -4.953 1.00 0.00 O ATOM 186 CB ASP A 16 -5.364 -13.379 -5.935 1.00 0.00 C ATOM 187 CG ASP A 16 -5.761 -14.508 -5.005 1.00 0.00 C ATOM 188 OD1 ASP A 16 -6.058 -15.613 -5.507 1.00 0.00 O ATOM 189 OD2 ASP A 16 -5.776 -14.288 -3.776 1.00 0.00 O ATOM 0 H ASP A 16 -4.499 -15.643 -6.502 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.927 -13.002 -7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.346 -12.443 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.119 -13.272 -6.714 1.00 0.00 H new ATOM 194 N SER A 17 -2.630 -11.879 -5.571 1.00 0.00 N ATOM 195 CA SER A 17 -1.591 -11.341 -4.700 1.00 0.00 C ATOM 196 C SER A 17 -2.199 -10.735 -3.439 1.00 0.00 C ATOM 197 O SER A 17 -3.394 -10.441 -3.393 1.00 0.00 O ATOM 198 CB SER A 17 -0.770 -10.286 -5.443 1.00 0.00 C ATOM 199 OG SER A 17 0.041 -9.547 -4.545 1.00 0.00 O ATOM 0 H SER A 17 -3.126 -11.176 -6.120 1.00 0.00 H new ATOM 0 HA SER A 17 -0.935 -12.161 -4.407 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.142 -10.770 -6.192 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.438 -9.609 -5.976 1.00 0.00 H new ATOM 0 HG SER A 17 0.855 -9.253 -5.005 1.00 0.00 H new ATOM 205 N ASP A 18 -1.369 -10.552 -2.419 1.00 0.00 N ATOM 206 CA ASP A 18 -1.823 -9.980 -1.157 1.00 0.00 C ATOM 207 C ASP A 18 -2.041 -8.476 -1.289 1.00 0.00 C ATOM 208 O ASP A 18 -1.166 -7.750 -1.762 1.00 0.00 O ATOM 209 CB ASP A 18 -0.807 -10.265 -0.049 1.00 0.00 C ATOM 210 CG ASP A 18 -0.969 -11.652 0.541 1.00 0.00 C ATOM 211 OD1 ASP A 18 -1.289 -12.588 -0.222 1.00 0.00 O ATOM 212 OD2 ASP A 18 -0.774 -11.802 1.765 1.00 0.00 O ATOM 0 H ASP A 18 -0.378 -10.791 -2.441 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.774 -10.445 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.202 -10.159 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.917 -9.522 0.741 1.00 0.00 H new ATOM 217 N PHE A 19 -3.214 -8.014 -0.869 1.00 0.00 N ATOM 218 CA PHE A 19 -3.548 -6.596 -0.942 1.00 0.00 C ATOM 219 C PHE A 19 -3.485 -5.951 0.439 1.00 0.00 C ATOM 220 O PHE A 19 -3.748 -6.599 1.452 1.00 0.00 O ATOM 221 CB PHE A 19 -4.943 -6.410 -1.542 1.00 0.00 C ATOM 222 CG PHE A 19 -5.132 -7.118 -2.853 1.00 0.00 C ATOM 223 CD1 PHE A 19 -4.328 -6.815 -3.941 1.00 0.00 C ATOM 224 CD2 PHE A 19 -6.112 -8.086 -2.999 1.00 0.00 C ATOM 225 CE1 PHE A 19 -4.499 -7.465 -5.149 1.00 0.00 C ATOM 226 CE2 PHE A 19 -6.287 -8.739 -4.204 1.00 0.00 C ATOM 227 CZ PHE A 19 -5.480 -8.427 -5.281 1.00 0.00 C ATOM 0 H PHE A 19 -3.949 -8.601 -0.475 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.816 -6.108 -1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.686 -6.773 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.130 -5.345 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.559 -6.063 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.747 -8.333 -2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.866 -7.220 -5.989 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.054 -9.493 -4.304 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.616 -8.935 -6.224 1.00 0.00 H new ATOM 237 N LEU A 20 -3.134 -4.670 0.471 1.00 0.00 N ATOM 238 CA LEU A 20 -3.036 -3.935 1.727 1.00 0.00 C ATOM 239 C LEU A 20 -3.678 -2.556 1.603 1.00 0.00 C ATOM 240 O LEU A 20 -3.151 -1.674 0.926 1.00 0.00 O ATOM 241 CB LEU A 20 -1.571 -3.792 2.143 1.00 0.00 C ATOM 242 CG LEU A 20 -0.656 -4.966 1.793 1.00 0.00 C ATOM 243 CD1 LEU A 20 0.800 -4.526 1.789 1.00 0.00 C ATOM 244 CD2 LEU A 20 -0.865 -6.114 2.769 1.00 0.00 C ATOM 0 H LEU A 20 -2.913 -4.119 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.572 -4.497 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.168 -2.892 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.534 -3.637 3.221 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.911 -5.315 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.436 -5.375 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.940 -3.737 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.069 -4.150 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.206 -6.941 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.638 -5.778 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.902 -6.447 2.722 1.00 0.00 H new ATOM 256 N ALA A 21 -4.817 -2.378 2.263 1.00 0.00 N ATOM 257 CA ALA A 21 -5.528 -1.107 2.231 1.00 0.00 C ATOM 258 C ALA A 21 -4.890 -0.096 3.178 1.00 0.00 C ATOM 259 O ALA A 21 -4.708 -0.371 4.364 1.00 0.00 O ATOM 260 CB ALA A 21 -6.994 -1.312 2.584 1.00 0.00 C ATOM 0 H ALA A 21 -5.267 -3.099 2.827 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.462 -0.709 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.512 -0.354 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.450 -1.992 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.071 -1.737 3.585 1.00 0.00 H new ATOM 266 N VAL A 22 -4.552 1.074 2.647 1.00 0.00 N ATOM 267 CA VAL A 22 -3.934 2.126 3.446 1.00 0.00 C ATOM 268 C VAL A 22 -4.851 2.563 4.583 1.00 0.00 C ATOM 269 O VAL A 22 -5.800 3.320 4.375 1.00 0.00 O ATOM 270 CB VAL A 22 -3.585 3.354 2.583 1.00 0.00 C ATOM 271 CG1 VAL A 22 -2.999 4.462 3.445 1.00 0.00 C ATOM 272 CG2 VAL A 22 -2.622 2.966 1.471 1.00 0.00 C ATOM 0 H VAL A 22 -4.695 1.318 1.667 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.016 1.710 3.862 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.501 3.728 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.758 5.321 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.726 4.757 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.093 4.103 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.386 3.845 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.706 2.567 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.083 2.208 0.838 1.00 0.00 H new ATOM 282 N LEU A 23 -4.561 2.081 5.787 1.00 0.00 N ATOM 283 CA LEU A 23 -5.359 2.421 6.960 1.00 0.00 C ATOM 284 C LEU A 23 -5.308 3.920 7.237 1.00 0.00 C ATOM 285 O LEU A 23 -6.264 4.499 7.752 1.00 0.00 O ATOM 286 CB LEU A 23 -4.861 1.647 8.182 1.00 0.00 C ATOM 287 CG LEU A 23 -5.010 0.127 8.119 1.00 0.00 C ATOM 288 CD1 LEU A 23 -3.989 -0.547 9.023 1.00 0.00 C ATOM 289 CD2 LEU A 23 -6.422 -0.288 8.506 1.00 0.00 C ATOM 0 H LEU A 23 -3.779 1.454 5.976 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.393 2.143 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.807 1.883 8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.397 2.009 9.060 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.827 -0.194 7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.110 -1.629 8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.983 -0.277 8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.141 -0.219 10.051 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.509 -1.373 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.634 0.046 9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.136 0.166 7.819 1.00 0.00 H new ATOM 301 N SER A 24 -4.186 4.543 6.890 1.00 0.00 N ATOM 302 CA SER A 24 -4.009 5.974 7.102 1.00 0.00 C ATOM 303 C SER A 24 -2.928 6.531 6.180 1.00 0.00 C ATOM 304 O SER A 24 -1.811 6.017 6.134 1.00 0.00 O ATOM 305 CB SER A 24 -3.643 6.253 8.562 1.00 0.00 C ATOM 306 OG SER A 24 -3.643 7.644 8.831 1.00 0.00 O ATOM 0 H SER A 24 -3.386 4.078 6.461 1.00 0.00 H new ATOM 0 HA SER A 24 -4.951 6.470 6.869 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.353 5.752 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.659 5.837 8.779 1.00 0.00 H new ATOM 0 HG SER A 24 -3.408 7.796 9.770 1.00 0.00 H new ATOM 312 N ASP A 25 -3.270 7.586 5.448 1.00 0.00 N ATOM 313 CA ASP A 25 -2.330 8.214 4.527 1.00 0.00 C ATOM 314 C ASP A 25 -0.937 8.292 5.143 1.00 0.00 C ATOM 315 O ASP A 25 -0.790 8.475 6.351 1.00 0.00 O ATOM 316 CB ASP A 25 -2.814 9.615 4.149 1.00 0.00 C ATOM 317 CG ASP A 25 -3.048 10.494 5.363 1.00 0.00 C ATOM 318 OD1 ASP A 25 -4.077 10.302 6.043 1.00 0.00 O ATOM 319 OD2 ASP A 25 -2.203 11.373 5.631 1.00 0.00 O ATOM 0 H ASP A 25 -4.191 8.024 5.475 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.276 7.602 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.078 10.087 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.739 9.535 3.578 1.00 0.00 H new ATOM 324 N TYR A 26 0.083 8.151 4.304 1.00 0.00 N ATOM 325 CA TYR A 26 1.466 8.202 4.765 1.00 0.00 C ATOM 326 C TYR A 26 2.427 8.362 3.591 1.00 0.00 C ATOM 327 O TYR A 26 2.178 7.886 2.483 1.00 0.00 O ATOM 328 CB TYR A 26 1.809 6.936 5.552 1.00 0.00 C ATOM 329 CG TYR A 26 3.261 6.527 5.437 1.00 0.00 C ATOM 330 CD1 TYR A 26 3.773 6.041 4.240 1.00 0.00 C ATOM 331 CD2 TYR A 26 4.119 6.626 6.524 1.00 0.00 C ATOM 332 CE1 TYR A 26 5.098 5.666 4.130 1.00 0.00 C ATOM 333 CE2 TYR A 26 5.446 6.254 6.423 1.00 0.00 C ATOM 334 CZ TYR A 26 5.930 5.775 5.224 1.00 0.00 C ATOM 335 OH TYR A 26 7.251 5.402 5.120 1.00 0.00 O ATOM 0 H TYR A 26 -0.022 8.000 3.301 1.00 0.00 H new ATOM 0 HA TYR A 26 1.573 9.068 5.418 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.567 7.095 6.603 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.181 6.118 5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.124 5.955 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.743 7.000 7.465 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.480 5.290 3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.100 6.338 7.278 1.00 0.00 H new ATOM 0 HH TYR A 26 7.427 4.650 5.723 1.00 0.00 H new ATOM 345 N PRO A 27 3.552 9.048 3.839 1.00 0.00 N ATOM 346 CA PRO A 27 3.858 9.619 5.154 1.00 0.00 C ATOM 347 C PRO A 27 2.950 10.794 5.501 1.00 0.00 C ATOM 348 O PRO A 27 2.009 11.101 4.769 1.00 0.00 O ATOM 349 CB PRO A 27 5.308 10.089 5.008 1.00 0.00 C ATOM 350 CG PRO A 27 5.482 10.331 3.548 1.00 0.00 C ATOM 351 CD PRO A 27 4.613 9.319 2.854 1.00 0.00 C ATOM 0 HA PRO A 27 3.708 8.897 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.490 10.996 5.584 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.007 9.335 5.371 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.187 11.346 3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.526 10.216 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.206 9.711 1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.169 8.416 2.604 1.00 0.00 H new ATOM 359 N SER A 28 3.238 11.447 6.622 1.00 0.00 N ATOM 360 CA SER A 28 2.444 12.586 7.068 1.00 0.00 C ATOM 361 C SER A 28 2.790 13.837 6.265 1.00 0.00 C ATOM 362 O SER A 28 3.880 13.966 5.708 1.00 0.00 O ATOM 363 CB SER A 28 2.675 12.843 8.559 1.00 0.00 C ATOM 364 OG SER A 28 1.948 11.922 9.353 1.00 0.00 O ATOM 0 H SER A 28 4.015 11.207 7.238 1.00 0.00 H new ATOM 0 HA SER A 28 1.392 12.350 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.738 12.763 8.785 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.372 13.860 8.807 1.00 0.00 H new ATOM 0 HG SER A 28 2.113 12.106 10.301 1.00 0.00 H new ATOM 370 N PRO A 29 1.840 14.782 6.205 1.00 0.00 N ATOM 371 CA PRO A 29 2.020 16.040 5.474 1.00 0.00 C ATOM 372 C PRO A 29 3.031 16.961 6.146 1.00 0.00 C ATOM 373 O PRO A 29 3.264 18.081 5.691 1.00 0.00 O ATOM 374 CB PRO A 29 0.624 16.668 5.500 1.00 0.00 C ATOM 375 CG PRO A 29 -0.029 16.089 6.707 1.00 0.00 C ATOM 376 CD PRO A 29 0.517 14.695 6.846 1.00 0.00 C ATOM 0 HA PRO A 29 2.410 15.876 4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.680 17.755 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.066 16.429 4.595 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.191 16.684 7.593 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.113 16.074 6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.596 14.397 7.891 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.121 13.962 6.352 1.00 0.00 H new ATOM 384 N ASP A 30 3.630 16.483 7.232 1.00 0.00 N ATOM 385 CA ASP A 30 4.619 17.265 7.966 1.00 0.00 C ATOM 386 C ASP A 30 6.025 16.724 7.728 1.00 0.00 C ATOM 387 O ASP A 30 7.016 17.383 8.043 1.00 0.00 O ATOM 388 CB ASP A 30 4.300 17.252 9.462 1.00 0.00 C ATOM 389 CG ASP A 30 4.842 18.473 10.180 1.00 0.00 C ATOM 390 OD1 ASP A 30 4.370 19.591 9.886 1.00 0.00 O ATOM 391 OD2 ASP A 30 5.737 18.309 11.035 1.00 0.00 O ATOM 0 H ASP A 30 3.448 15.559 7.623 1.00 0.00 H new ATOM 0 HA ASP A 30 4.579 18.292 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.220 17.203 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.720 16.353 9.912 1.00 0.00 H new ATOM 396 N ILE A 31 6.104 15.519 7.172 1.00 0.00 N ATOM 397 CA ILE A 31 7.389 14.890 6.892 1.00 0.00 C ATOM 398 C ILE A 31 7.599 14.713 5.392 1.00 0.00 C ATOM 399 O ILE A 31 8.649 15.066 4.856 1.00 0.00 O ATOM 400 CB ILE A 31 7.505 13.518 7.581 1.00 0.00 C ATOM 401 CG1 ILE A 31 6.788 13.538 8.932 1.00 0.00 C ATOM 402 CG2 ILE A 31 8.968 13.137 7.757 1.00 0.00 C ATOM 403 CD1 ILE A 31 7.002 12.284 9.749 1.00 0.00 C ATOM 0 H ILE A 31 5.294 14.959 6.907 1.00 0.00 H new ATOM 0 HA ILE A 31 8.158 15.553 7.288 1.00 0.00 H new ATOM 0 HB ILE A 31 7.027 12.769 6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.134 14.398 9.505 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.720 13.675 8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.035 12.165 8.245 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.451 13.087 6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.468 13.886 8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.465 12.369 10.693 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.630 11.422 9.196 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.066 12.156 9.947 1.00 0.00 H new ATOM 415 N SER A 32 6.591 14.167 4.719 1.00 0.00 N ATOM 416 CA SER A 32 6.666 13.941 3.281 1.00 0.00 C ATOM 417 C SER A 32 5.278 13.694 2.697 1.00 0.00 C ATOM 418 O SER A 32 4.321 13.394 3.410 1.00 0.00 O ATOM 419 CB SER A 32 7.578 12.751 2.976 1.00 0.00 C ATOM 420 OG SER A 32 8.910 13.176 2.744 1.00 0.00 O ATOM 0 H SER A 32 5.713 13.873 5.147 1.00 0.00 H new ATOM 0 HA SER A 32 7.082 14.836 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.557 12.049 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.205 12.218 2.101 1.00 0.00 H new ATOM 0 HG SER A 32 9.134 13.902 3.363 1.00 0.00 H new ATOM 426 N PRO A 33 5.165 13.823 1.366 1.00 0.00 N ATOM 427 CA PRO A 33 3.900 13.619 0.655 1.00 0.00 C ATOM 428 C PRO A 33 3.469 12.156 0.648 1.00 0.00 C ATOM 429 O PRO A 33 4.257 11.253 0.365 1.00 0.00 O ATOM 430 CB PRO A 33 4.211 14.092 -0.767 1.00 0.00 C ATOM 431 CG PRO A 33 5.684 13.920 -0.909 1.00 0.00 C ATOM 432 CD PRO A 33 6.265 14.179 0.454 1.00 0.00 C ATOM 0 HA PRO A 33 3.077 14.156 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.670 13.503 -1.508 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.918 15.132 -0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.928 12.915 -1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.089 14.615 -1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.151 13.570 0.636 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.564 15.220 0.572 1.00 0.00 H new ATOM 440 N PRO A 34 2.189 11.914 0.966 1.00 0.00 N ATOM 441 CA PRO A 34 1.624 10.561 1.002 1.00 0.00 C ATOM 442 C PRO A 34 1.497 9.949 -0.389 1.00 0.00 C ATOM 443 O PRO A 34 0.798 10.483 -1.250 1.00 0.00 O ATOM 444 CB PRO A 34 0.241 10.770 1.623 1.00 0.00 C ATOM 445 CG PRO A 34 -0.106 12.184 1.308 1.00 0.00 C ATOM 446 CD PRO A 34 1.194 12.941 1.315 1.00 0.00 C ATOM 0 HA PRO A 34 2.256 9.870 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.490 10.080 1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.260 10.597 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.596 12.259 0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.798 12.590 2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.188 13.757 0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.397 13.382 2.291 1.00 0.00 H new ATOM 454 N ILE A 35 2.175 8.827 -0.600 1.00 0.00 N ATOM 455 CA ILE A 35 2.136 8.142 -1.887 1.00 0.00 C ATOM 456 C ILE A 35 0.878 7.290 -2.018 1.00 0.00 C ATOM 457 O ILE A 35 0.438 6.979 -3.125 1.00 0.00 O ATOM 458 CB ILE A 35 3.372 7.245 -2.085 1.00 0.00 C ATOM 459 CG1 ILE A 35 4.634 7.965 -1.605 1.00 0.00 C ATOM 460 CG2 ILE A 35 3.507 6.845 -3.547 1.00 0.00 C ATOM 461 CD1 ILE A 35 4.964 7.700 -0.152 1.00 0.00 C ATOM 0 H ILE A 35 2.758 8.372 0.103 1.00 0.00 H new ATOM 0 HA ILE A 35 2.131 8.915 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 35 3.245 6.340 -1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.477 7.655 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.509 9.038 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.385 6.211 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.617 6.297 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.615 7.739 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.870 8.242 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.138 8.035 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.122 6.632 -0.004 1.00 0.00 H new ATOM 473 N PHE A 36 0.300 6.919 -0.880 1.00 0.00 N ATOM 474 CA PHE A 36 -0.909 6.104 -0.867 1.00 0.00 C ATOM 475 C PHE A 36 -1.927 6.657 0.126 1.00 0.00 C ATOM 476 O PHE A 36 -1.826 6.424 1.330 1.00 0.00 O ATOM 477 CB PHE A 36 -0.569 4.655 -0.511 1.00 0.00 C ATOM 478 CG PHE A 36 0.553 4.084 -1.331 1.00 0.00 C ATOM 479 CD1 PHE A 36 0.588 4.267 -2.704 1.00 0.00 C ATOM 480 CD2 PHE A 36 1.572 3.364 -0.728 1.00 0.00 C ATOM 481 CE1 PHE A 36 1.619 3.742 -3.460 1.00 0.00 C ATOM 482 CE2 PHE A 36 2.606 2.837 -1.480 1.00 0.00 C ATOM 483 CZ PHE A 36 2.629 3.027 -2.847 1.00 0.00 C ATOM 0 H PHE A 36 0.649 7.170 0.045 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.347 6.133 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.301 4.602 0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.457 4.038 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.199 4.826 -3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.558 3.213 0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.635 3.891 -4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.394 2.278 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.436 2.617 -3.436 1.00 0.00 H new ATOM 493 N ARG A 37 -2.908 7.392 -0.389 1.00 0.00 N ATOM 494 CA ARG A 37 -3.943 7.981 0.451 1.00 0.00 C ATOM 495 C ARG A 37 -4.690 6.902 1.230 1.00 0.00 C ATOM 496 O ARG A 37 -4.608 5.718 0.903 1.00 0.00 O ATOM 497 CB ARG A 37 -4.928 8.782 -0.403 1.00 0.00 C ATOM 498 CG ARG A 37 -4.514 10.229 -0.613 1.00 0.00 C ATOM 499 CD ARG A 37 -3.283 10.333 -1.499 1.00 0.00 C ATOM 500 NE ARG A 37 -2.772 11.700 -1.568 1.00 0.00 N ATOM 501 CZ ARG A 37 -1.977 12.139 -2.537 1.00 0.00 C ATOM 502 NH1 ARG A 37 -1.604 11.324 -3.514 1.00 0.00 N ATOM 503 NH2 ARG A 37 -1.553 13.397 -2.530 1.00 0.00 N ATOM 0 H ARG A 37 -3.007 7.593 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.461 8.651 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.031 8.298 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.909 8.759 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.337 10.782 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.310 10.694 0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.504 9.674 -1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.529 9.987 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.041 12.353 -0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.928 10.357 -3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.993 11.664 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.838 14.027 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.942 13.734 -3.275 1.00 0.00 H new ATOM 517 N ARG A 38 -5.417 7.320 2.261 1.00 0.00 N ATOM 518 CA ARG A 38 -6.176 6.389 3.088 1.00 0.00 C ATOM 519 C ARG A 38 -7.297 5.738 2.283 1.00 0.00 C ATOM 520 O ARG A 38 -7.927 6.380 1.444 1.00 0.00 O ATOM 521 CB ARG A 38 -6.760 7.112 4.303 1.00 0.00 C ATOM 522 CG ARG A 38 -7.204 6.175 5.414 1.00 0.00 C ATOM 523 CD ARG A 38 -8.655 5.753 5.240 1.00 0.00 C ATOM 524 NE ARG A 38 -9.088 4.836 6.290 1.00 0.00 N ATOM 525 CZ ARG A 38 -10.360 4.642 6.618 1.00 0.00 C ATOM 526 NH1 ARG A 38 -11.320 5.298 5.980 1.00 0.00 N ATOM 527 NH2 ARG A 38 -10.675 3.790 7.585 1.00 0.00 N ATOM 0 H ARG A 38 -5.497 8.297 2.544 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.496 5.609 3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.014 7.802 4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.612 7.712 3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.566 5.292 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.080 6.668 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.293 6.637 5.245 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.780 5.276 4.268 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.374 4.316 6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.082 5.953 5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.296 5.147 6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.940 3.283 8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.653 3.642 7.836 1.00 0.00 H new ATOM 541 N GLY A 39 -7.540 4.457 2.545 1.00 0.00 N ATOM 542 CA GLY A 39 -8.584 3.740 1.837 1.00 0.00 C ATOM 543 C GLY A 39 -8.160 3.327 0.442 1.00 0.00 C ATOM 544 O GLY A 39 -8.970 2.824 -0.336 1.00 0.00 O ATOM 0 H GLY A 39 -7.032 3.903 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.862 2.853 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.472 4.368 1.772 1.00 0.00 H new ATOM 548 N GLU A 40 -6.887 3.543 0.123 1.00 0.00 N ATOM 549 CA GLU A 40 -6.359 3.192 -1.190 1.00 0.00 C ATOM 550 C GLU A 40 -5.903 1.736 -1.221 1.00 0.00 C ATOM 551 O GLU A 40 -5.380 1.216 -0.236 1.00 0.00 O ATOM 552 CB GLU A 40 -5.193 4.112 -1.557 1.00 0.00 C ATOM 553 CG GLU A 40 -5.059 4.357 -3.051 1.00 0.00 C ATOM 554 CD GLU A 40 -4.102 5.489 -3.372 1.00 0.00 C ATOM 555 OE1 GLU A 40 -2.881 5.305 -3.180 1.00 0.00 O ATOM 556 OE2 GLU A 40 -4.572 6.557 -3.816 1.00 0.00 O ATOM 0 H GLU A 40 -6.203 3.959 0.755 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.157 3.320 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.322 5.068 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.266 3.677 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.712 3.444 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.040 4.586 -3.467 1.00 0.00 H new ATOM 563 N LYS A 41 -6.105 1.083 -2.361 1.00 0.00 N ATOM 564 CA LYS A 41 -5.714 -0.312 -2.524 1.00 0.00 C ATOM 565 C LYS A 41 -4.265 -0.421 -2.985 1.00 0.00 C ATOM 566 O LYS A 41 -3.803 0.372 -3.807 1.00 0.00 O ATOM 567 CB LYS A 41 -6.635 -1.006 -3.530 1.00 0.00 C ATOM 568 CG LYS A 41 -6.843 -2.484 -3.245 1.00 0.00 C ATOM 569 CD LYS A 41 -8.094 -2.721 -2.417 1.00 0.00 C ATOM 570 CE LYS A 41 -8.027 -1.991 -1.084 1.00 0.00 C ATOM 571 NZ LYS A 41 -9.321 -2.055 -0.351 1.00 0.00 N ATOM 0 H LYS A 41 -6.538 1.498 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.806 -0.805 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.603 -0.505 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.218 -0.893 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.919 -3.030 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.975 -2.879 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.969 -2.385 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.219 -3.790 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.240 -2.428 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.757 -0.949 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.479 -1.160 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.096 -2.212 -1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.294 -2.838 0.333 1.00 0.00 H new ATOM 585 N LEU A 42 -3.552 -1.408 -2.453 1.00 0.00 N ATOM 586 CA LEU A 42 -2.154 -1.622 -2.812 1.00 0.00 C ATOM 587 C LEU A 42 -1.849 -3.110 -2.948 1.00 0.00 C ATOM 588 O LEU A 42 -2.397 -3.935 -2.217 1.00 0.00 O ATOM 589 CB LEU A 42 -1.236 -0.995 -1.762 1.00 0.00 C ATOM 590 CG LEU A 42 -1.698 0.341 -1.177 1.00 0.00 C ATOM 591 CD1 LEU A 42 -0.989 0.622 0.138 1.00 0.00 C ATOM 592 CD2 LEU A 42 -1.455 1.470 -2.168 1.00 0.00 C ATOM 0 H LEU A 42 -3.919 -2.073 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.974 -1.144 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.116 -1.705 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.252 -0.852 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.769 0.279 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.331 1.576 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.214 -0.172 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.087 0.663 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.790 2.413 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.391 1.532 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.010 1.275 -3.085 1.00 0.00 H new ATOM 604 N ARG A 43 -0.969 -3.445 -3.886 1.00 0.00 N ATOM 605 CA ARG A 43 -0.590 -4.833 -4.117 1.00 0.00 C ATOM 606 C ARG A 43 0.790 -5.124 -3.532 1.00 0.00 C ATOM 607 O ARG A 43 1.753 -4.407 -3.801 1.00 0.00 O ATOM 608 CB ARG A 43 -0.596 -5.144 -5.615 1.00 0.00 C ATOM 609 CG ARG A 43 -0.936 -6.591 -5.935 1.00 0.00 C ATOM 610 CD ARG A 43 -0.960 -6.838 -7.435 1.00 0.00 C ATOM 611 NE ARG A 43 -2.231 -6.443 -8.035 1.00 0.00 N ATOM 612 CZ ARG A 43 -2.390 -6.209 -9.333 1.00 0.00 C ATOM 613 NH1 ARG A 43 -1.364 -6.332 -10.163 1.00 0.00 N ATOM 614 NH2 ARG A 43 -3.579 -5.854 -9.803 1.00 0.00 N ATOM 0 H ARG A 43 -0.505 -2.774 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.320 -5.470 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.316 -4.492 -6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.384 -4.909 -6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.204 -7.250 -5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.907 -6.841 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.149 -6.283 -7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.780 -7.895 -7.631 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.041 -6.341 -7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.449 -6.607 -9.806 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.489 -6.152 -11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.371 -5.761 -9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.701 -5.674 -10.800 1.00 0.00 H new ATOM 628 N VAL A 44 0.876 -6.181 -2.731 1.00 0.00 N ATOM 629 CA VAL A 44 2.137 -6.568 -2.109 1.00 0.00 C ATOM 630 C VAL A 44 3.151 -7.018 -3.155 1.00 0.00 C ATOM 631 O VAL A 44 3.014 -8.090 -3.745 1.00 0.00 O ATOM 632 CB VAL A 44 1.934 -7.701 -1.086 1.00 0.00 C ATOM 633 CG1 VAL A 44 3.258 -8.085 -0.444 1.00 0.00 C ATOM 634 CG2 VAL A 44 0.919 -7.289 -0.030 1.00 0.00 C ATOM 0 H VAL A 44 0.088 -6.785 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 44 2.519 -5.687 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 44 1.545 -8.575 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.094 -8.887 0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.951 -8.424 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.679 -7.219 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.788 -8.101 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.276 -6.401 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.035 -7.069 -0.509 1.00 0.00 H new ATOM 644 N ILE A 45 4.168 -6.193 -3.379 1.00 0.00 N ATOM 645 CA ILE A 45 5.205 -6.507 -4.353 1.00 0.00 C ATOM 646 C ILE A 45 6.223 -7.485 -3.776 1.00 0.00 C ATOM 647 O ILE A 45 6.537 -8.505 -4.389 1.00 0.00 O ATOM 648 CB ILE A 45 5.939 -5.237 -4.824 1.00 0.00 C ATOM 649 CG1 ILE A 45 5.213 -4.615 -6.017 1.00 0.00 C ATOM 650 CG2 ILE A 45 7.381 -5.562 -5.185 1.00 0.00 C ATOM 651 CD1 ILE A 45 4.180 -3.582 -5.624 1.00 0.00 C ATOM 0 H ILE A 45 4.296 -5.302 -2.899 1.00 0.00 H new ATOM 0 HA ILE A 45 4.707 -6.966 -5.207 1.00 0.00 H new ATOM 0 HB ILE A 45 5.943 -4.514 -4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.946 -4.151 -6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.726 -5.405 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.887 -4.655 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.893 -5.965 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.398 -6.300 -5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.705 -3.183 -6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.425 -4.046 -4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.665 -2.772 -5.079 1.00 0.00 H new ATOM 663 N SER A 46 6.735 -7.167 -2.590 1.00 0.00 N ATOM 664 CA SER A 46 7.719 -8.016 -1.930 1.00 0.00 C ATOM 665 C SER A 46 7.830 -7.667 -0.449 1.00 0.00 C ATOM 666 O SER A 46 7.877 -6.494 -0.077 1.00 0.00 O ATOM 667 CB SER A 46 9.084 -7.869 -2.604 1.00 0.00 C ATOM 668 OG SER A 46 9.940 -8.946 -2.263 1.00 0.00 O ATOM 0 H SER A 46 6.484 -6.328 -2.068 1.00 0.00 H new ATOM 0 HA SER A 46 7.388 -9.051 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.957 -7.830 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.542 -6.927 -2.303 1.00 0.00 H new ATOM 0 HG SER A 46 10.805 -8.829 -2.708 1.00 0.00 H new ATOM 674 N ASP A 47 7.872 -8.695 0.393 1.00 0.00 N ATOM 675 CA ASP A 47 7.979 -8.499 1.834 1.00 0.00 C ATOM 676 C ASP A 47 9.440 -8.438 2.267 1.00 0.00 C ATOM 677 O ASP A 47 10.237 -9.309 1.920 1.00 0.00 O ATOM 678 CB ASP A 47 7.260 -9.625 2.578 1.00 0.00 C ATOM 679 CG ASP A 47 7.610 -10.996 2.031 1.00 0.00 C ATOM 680 OD1 ASP A 47 7.293 -11.263 0.852 1.00 0.00 O ATOM 681 OD2 ASP A 47 8.201 -11.800 2.781 1.00 0.00 O ATOM 0 H ASP A 47 7.834 -9.672 0.102 1.00 0.00 H new ATOM 0 HA ASP A 47 7.505 -7.549 2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.520 -9.582 3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.183 -9.473 2.508 1.00 0.00 H new ATOM 686 N GLU A 48 9.784 -7.402 3.027 1.00 0.00 N ATOM 687 CA GLU A 48 11.151 -7.227 3.505 1.00 0.00 C ATOM 688 C GLU A 48 11.172 -6.968 5.009 1.00 0.00 C ATOM 689 O GLU A 48 11.178 -5.820 5.451 1.00 0.00 O ATOM 690 CB GLU A 48 11.829 -6.071 2.767 1.00 0.00 C ATOM 691 CG GLU A 48 11.920 -6.278 1.265 1.00 0.00 C ATOM 692 CD GLU A 48 13.099 -7.144 0.865 1.00 0.00 C ATOM 693 OE1 GLU A 48 13.247 -8.245 1.436 1.00 0.00 O ATOM 694 OE2 GLU A 48 13.873 -6.721 -0.019 1.00 0.00 O ATOM 0 H GLU A 48 9.136 -6.673 3.324 1.00 0.00 H new ATOM 0 HA GLU A 48 11.700 -8.147 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.279 -5.151 2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.833 -5.934 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.998 -6.739 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.002 -5.309 0.773 1.00 0.00 H new ATOM 701 N GLY A 49 11.181 -8.044 5.789 1.00 0.00 N ATOM 702 CA GLY A 49 11.200 -7.912 7.234 1.00 0.00 C ATOM 703 C GLY A 49 9.936 -7.275 7.775 1.00 0.00 C ATOM 704 O GLY A 49 8.829 -7.674 7.418 1.00 0.00 O ATOM 0 H GLY A 49 11.175 -9.005 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.328 -8.897 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.061 -7.312 7.530 1.00 0.00 H new ATOM 708 N GLY A 50 10.100 -6.279 8.641 1.00 0.00 N ATOM 709 CA GLY A 50 8.954 -5.602 9.220 1.00 0.00 C ATOM 710 C GLY A 50 8.231 -4.727 8.217 1.00 0.00 C ATOM 711 O GLY A 50 7.064 -4.385 8.410 1.00 0.00 O ATOM 0 H GLY A 50 11.006 -5.929 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.261 -6.343 9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.283 -4.991 10.060 1.00 0.00 H new ATOM 715 N TRP A 51 8.923 -4.363 7.144 1.00 0.00 N ATOM 716 CA TRP A 51 8.339 -3.520 6.107 1.00 0.00 C ATOM 717 C TRP A 51 8.268 -4.263 4.777 1.00 0.00 C ATOM 718 O TRP A 51 9.073 -5.155 4.511 1.00 0.00 O ATOM 719 CB TRP A 51 9.155 -2.236 5.945 1.00 0.00 C ATOM 720 CG TRP A 51 8.926 -1.245 7.045 1.00 0.00 C ATOM 721 CD1 TRP A 51 8.941 -1.493 8.388 1.00 0.00 C ATOM 722 CD2 TRP A 51 8.648 0.152 6.896 1.00 0.00 C ATOM 723 NE1 TRP A 51 8.688 -0.335 9.083 1.00 0.00 N ATOM 724 CE2 TRP A 51 8.506 0.689 8.191 1.00 0.00 C ATOM 725 CE3 TRP A 51 8.507 1.001 5.796 1.00 0.00 C ATOM 726 CZ2 TRP A 51 8.228 2.035 8.411 1.00 0.00 C ATOM 727 CZ3 TRP A 51 8.231 2.337 6.016 1.00 0.00 C ATOM 728 CH2 TRP A 51 8.095 2.844 7.316 1.00 0.00 C ATOM 0 H TRP A 51 9.889 -4.638 6.969 1.00 0.00 H new ATOM 0 HA TRP A 51 7.325 -3.262 6.412 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.215 -2.489 5.909 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.905 -1.773 4.990 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.125 -2.458 8.838 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.643 -0.251 10.099 1.00 0.00 H new ATOM 0 HE3 TRP A 51 8.612 0.620 4.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 8.121 2.427 9.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.118 3.002 5.172 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.881 3.893 7.456 1.00 0.00 H new ATOM 739 N TRP A 52 7.301 -3.890 3.947 1.00 0.00 N ATOM 740 CA TRP A 52 7.126 -4.522 2.645 1.00 0.00 C ATOM 741 C TRP A 52 6.862 -3.479 1.564 1.00 0.00 C ATOM 742 O TRP A 52 6.535 -2.330 1.863 1.00 0.00 O ATOM 743 CB TRP A 52 5.973 -5.526 2.693 1.00 0.00 C ATOM 744 CG TRP A 52 4.766 -5.011 3.416 1.00 0.00 C ATOM 745 CD1 TRP A 52 4.455 -3.704 3.664 1.00 0.00 C ATOM 746 CD2 TRP A 52 3.709 -5.791 3.985 1.00 0.00 C ATOM 747 NE1 TRP A 52 3.269 -3.626 4.353 1.00 0.00 N ATOM 748 CE2 TRP A 52 2.791 -4.892 4.561 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.448 -7.162 4.061 1.00 0.00 C ATOM 750 CZ2 TRP A 52 1.633 -5.321 5.206 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.299 -7.586 4.701 1.00 0.00 C ATOM 752 CH2 TRP A 52 1.403 -6.669 5.266 1.00 0.00 C ATOM 0 H TRP A 52 6.626 -3.153 4.152 1.00 0.00 H new ATOM 0 HA TRP A 52 8.048 -5.049 2.399 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.691 -5.793 1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.316 -6.439 3.179 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.053 -2.857 3.363 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.818 -2.764 4.660 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.132 -7.877 3.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.942 -4.615 5.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.088 -8.643 4.767 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.513 -7.033 5.759 1.00 0.00 H new ATOM 763 N LYS A 53 7.007 -3.885 0.308 1.00 0.00 N ATOM 764 CA LYS A 53 6.783 -2.987 -0.818 1.00 0.00 C ATOM 765 C LYS A 53 5.426 -3.249 -1.463 1.00 0.00 C ATOM 766 O LYS A 53 4.989 -4.395 -1.567 1.00 0.00 O ATOM 767 CB LYS A 53 7.894 -3.152 -1.858 1.00 0.00 C ATOM 768 CG LYS A 53 7.927 -2.042 -2.894 1.00 0.00 C ATOM 769 CD LYS A 53 8.471 -2.536 -4.224 1.00 0.00 C ATOM 770 CE LYS A 53 8.739 -1.384 -5.180 1.00 0.00 C ATOM 771 NZ LYS A 53 9.966 -0.627 -4.807 1.00 0.00 N ATOM 0 H LYS A 53 7.279 -4.832 0.044 1.00 0.00 H new ATOM 0 HA LYS A 53 6.795 -1.964 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.856 -3.189 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.766 -4.108 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.922 -1.646 -3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.545 -1.221 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.393 -3.093 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.759 -3.227 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.845 -1.771 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.883 -0.709 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.729 0.377 -4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.353 -1.008 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.675 -0.721 -5.562 1.00 0.00 H new ATOM 785 N ALA A 54 4.764 -2.181 -1.895 1.00 0.00 N ATOM 786 CA ALA A 54 3.459 -2.297 -2.533 1.00 0.00 C ATOM 787 C ALA A 54 3.195 -1.118 -3.463 1.00 0.00 C ATOM 788 O ALA A 54 3.774 -0.043 -3.297 1.00 0.00 O ATOM 789 CB ALA A 54 2.364 -2.396 -1.480 1.00 0.00 C ATOM 0 H ALA A 54 5.110 -1.225 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 54 3.455 -3.207 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.394 -2.482 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.536 -3.275 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.377 -1.502 -0.856 1.00 0.00 H new ATOM 795 N ILE A 55 2.320 -1.325 -4.441 1.00 0.00 N ATOM 796 CA ILE A 55 1.981 -0.279 -5.397 1.00 0.00 C ATOM 797 C ILE A 55 0.478 -0.022 -5.420 1.00 0.00 C ATOM 798 O ILE A 55 -0.323 -0.957 -5.405 1.00 0.00 O ATOM 799 CB ILE A 55 2.450 -0.641 -6.818 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.213 0.532 -7.772 1.00 0.00 C ATOM 801 CG2 ILE A 55 1.729 -1.886 -7.313 1.00 0.00 C ATOM 802 CD1 ILE A 55 2.835 0.337 -9.137 1.00 0.00 C ATOM 0 H ILE A 55 1.833 -2.208 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 55 2.497 0.624 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 55 3.519 -0.851 -6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.140 0.683 -7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.616 1.441 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.071 -2.129 -8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.943 -2.720 -6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.655 -1.702 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.627 1.207 -9.759 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.913 0.216 -9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.414 -0.553 -9.605 1.00 0.00 H new ATOM 814 N SER A 56 0.101 1.253 -5.458 1.00 0.00 N ATOM 815 CA SER A 56 -1.306 1.634 -5.482 1.00 0.00 C ATOM 816 C SER A 56 -1.957 1.226 -6.800 1.00 0.00 C ATOM 817 O SER A 56 -1.455 1.543 -7.879 1.00 0.00 O ATOM 818 CB SER A 56 -1.451 3.142 -5.273 1.00 0.00 C ATOM 819 OG SER A 56 -2.715 3.600 -5.723 1.00 0.00 O ATOM 0 H SER A 56 0.751 2.039 -5.473 1.00 0.00 H new ATOM 0 HA SER A 56 -1.813 1.112 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.330 3.379 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.659 3.665 -5.810 1.00 0.00 H new ATOM 0 HG SER A 56 -2.784 4.567 -5.577 1.00 0.00 H new ATOM 825 N LEU A 57 -3.079 0.521 -6.704 1.00 0.00 N ATOM 826 CA LEU A 57 -3.801 0.068 -7.888 1.00 0.00 C ATOM 827 C LEU A 57 -4.615 1.206 -8.498 1.00 0.00 C ATOM 828 O LEU A 57 -5.412 0.992 -9.411 1.00 0.00 O ATOM 829 CB LEU A 57 -4.723 -1.099 -7.532 1.00 0.00 C ATOM 830 CG LEU A 57 -4.082 -2.247 -6.752 1.00 0.00 C ATOM 831 CD1 LEU A 57 -5.123 -2.968 -5.910 1.00 0.00 C ATOM 832 CD2 LEU A 57 -3.394 -3.218 -7.700 1.00 0.00 C ATOM 0 H LEU A 57 -3.508 0.251 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.069 -0.266 -8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.558 -0.711 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.139 -1.502 -8.455 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.330 -1.830 -6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.648 -3.782 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.569 -2.267 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.899 -3.373 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.944 -4.028 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.126 -3.629 -8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.618 -2.694 -8.258 1.00 0.00 H new ATOM 844 N SER A 58 -4.407 2.415 -7.987 1.00 0.00 N ATOM 845 CA SER A 58 -5.122 3.587 -8.480 1.00 0.00 C ATOM 846 C SER A 58 -4.174 4.536 -9.206 1.00 0.00 C ATOM 847 O SER A 58 -4.479 5.028 -10.293 1.00 0.00 O ATOM 848 CB SER A 58 -5.806 4.317 -7.322 1.00 0.00 C ATOM 849 OG SER A 58 -6.626 5.371 -7.798 1.00 0.00 O ATOM 0 H SER A 58 -3.749 2.609 -7.232 1.00 0.00 H new ATOM 0 HA SER A 58 -5.881 3.249 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.409 3.613 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.052 4.716 -6.643 1.00 0.00 H new ATOM 0 HG SER A 58 -7.053 5.821 -7.040 1.00 0.00 H new ATOM 855 N THR A 59 -3.020 4.791 -8.596 1.00 0.00 N ATOM 856 CA THR A 59 -2.026 5.682 -9.182 1.00 0.00 C ATOM 857 C THR A 59 -0.889 4.893 -9.820 1.00 0.00 C ATOM 858 O THR A 59 -0.351 5.287 -10.854 1.00 0.00 O ATOM 859 CB THR A 59 -1.443 6.642 -8.129 1.00 0.00 C ATOM 860 OG1 THR A 59 -0.700 5.905 -7.152 1.00 0.00 O ATOM 861 CG2 THR A 59 -2.548 7.431 -7.444 1.00 0.00 C ATOM 0 H THR A 59 -2.751 4.393 -7.696 1.00 0.00 H new ATOM 0 HA THR A 59 -2.536 6.264 -9.950 1.00 0.00 H new ATOM 0 HB THR A 59 -0.780 7.343 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.331 6.523 -6.487 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.111 8.102 -6.704 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.093 8.014 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.233 6.743 -6.949 1.00 0.00 H new ATOM 869 N GLY A 60 -0.527 3.776 -9.197 1.00 0.00 N ATOM 870 CA GLY A 60 0.545 2.949 -9.720 1.00 0.00 C ATOM 871 C GLY A 60 1.910 3.395 -9.235 1.00 0.00 C ATOM 872 O GLY A 60 2.901 3.278 -9.956 1.00 0.00 O ATOM 0 H GLY A 60 -0.957 3.429 -8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.378 1.913 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.523 2.977 -10.809 1.00 0.00 H new ATOM 876 N ARG A 61 1.963 3.910 -8.011 1.00 0.00 N ATOM 877 CA ARG A 61 3.216 4.378 -7.432 1.00 0.00 C ATOM 878 C ARG A 61 3.838 3.306 -6.542 1.00 0.00 C ATOM 879 O ARG A 61 3.192 2.794 -5.628 1.00 0.00 O ATOM 880 CB ARG A 61 2.984 5.656 -6.624 1.00 0.00 C ATOM 881 CG ARG A 61 2.923 6.913 -7.476 1.00 0.00 C ATOM 882 CD ARG A 61 3.241 8.155 -6.659 1.00 0.00 C ATOM 883 NE ARG A 61 3.544 9.305 -7.507 1.00 0.00 N ATOM 884 CZ ARG A 61 3.540 10.560 -7.072 1.00 0.00 C ATOM 885 NH1 ARG A 61 3.251 10.826 -5.806 1.00 0.00 N ATOM 886 NH2 ARG A 61 3.826 11.553 -7.905 1.00 0.00 N ATOM 0 H ARG A 61 1.152 4.014 -7.401 1.00 0.00 H new ATOM 0 HA ARG A 61 3.906 4.593 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.052 5.559 -6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.784 5.763 -5.891 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.629 6.829 -8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.930 7.009 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.394 8.392 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.090 7.952 -6.006 1.00 0.00 H new ATOM 0 HE ARG A 61 3.771 9.135 -8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.031 10.066 -5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.249 11.791 -5.475 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.049 11.353 -8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.823 12.516 -7.570 1.00 0.00 H new ATOM 900 N GLU A 62 5.095 2.971 -6.817 1.00 0.00 N ATOM 901 CA GLU A 62 5.802 1.959 -6.041 1.00 0.00 C ATOM 902 C GLU A 62 6.544 2.593 -4.867 1.00 0.00 C ATOM 903 O GLU A 62 7.445 3.410 -5.056 1.00 0.00 O ATOM 904 CB GLU A 62 6.789 1.200 -6.931 1.00 0.00 C ATOM 905 CG GLU A 62 6.187 -0.026 -7.598 1.00 0.00 C ATOM 906 CD GLU A 62 6.886 -0.386 -8.895 1.00 0.00 C ATOM 907 OE1 GLU A 62 6.563 0.230 -9.932 1.00 0.00 O ATOM 908 OE2 GLU A 62 7.754 -1.283 -8.873 1.00 0.00 O ATOM 0 H GLU A 62 5.644 3.385 -7.570 1.00 0.00 H new ATOM 0 HA GLU A 62 5.065 1.259 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.165 1.875 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.645 0.893 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.242 -0.872 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.131 0.155 -7.797 1.00 0.00 H new ATOM 915 N SER A 63 6.156 2.211 -3.654 1.00 0.00 N ATOM 916 CA SER A 63 6.780 2.745 -2.449 1.00 0.00 C ATOM 917 C SER A 63 6.794 1.700 -1.337 1.00 0.00 C ATOM 918 O SER A 63 6.164 0.649 -1.450 1.00 0.00 O ATOM 919 CB SER A 63 6.039 3.998 -1.978 1.00 0.00 C ATOM 920 OG SER A 63 6.844 4.766 -1.100 1.00 0.00 O ATOM 0 H SER A 63 5.413 1.534 -3.480 1.00 0.00 H new ATOM 0 HA SER A 63 7.810 3.010 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.756 4.603 -2.840 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.117 3.711 -1.473 1.00 0.00 H new ATOM 0 HG SER A 63 6.726 5.719 -1.297 1.00 0.00 H new ATOM 926 N TYR A 64 7.518 1.999 -0.264 1.00 0.00 N ATOM 927 CA TYR A 64 7.618 1.085 0.868 1.00 0.00 C ATOM 928 C TYR A 64 6.934 1.669 2.101 1.00 0.00 C ATOM 929 O TYR A 64 7.339 2.713 2.613 1.00 0.00 O ATOM 930 CB TYR A 64 9.085 0.785 1.180 1.00 0.00 C ATOM 931 CG TYR A 64 9.913 0.475 -0.046 1.00 0.00 C ATOM 932 CD1 TYR A 64 9.982 -0.816 -0.555 1.00 0.00 C ATOM 933 CD2 TYR A 64 10.627 1.474 -0.696 1.00 0.00 C ATOM 934 CE1 TYR A 64 10.738 -1.103 -1.675 1.00 0.00 C ATOM 935 CE2 TYR A 64 11.385 1.197 -1.818 1.00 0.00 C ATOM 936 CZ TYR A 64 11.438 -0.094 -2.303 1.00 0.00 C ATOM 937 OH TYR A 64 12.191 -0.375 -3.419 1.00 0.00 O ATOM 0 H TYR A 64 8.044 2.866 -0.154 1.00 0.00 H new ATOM 0 HA TYR A 64 7.113 0.157 0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 64 9.521 1.641 1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.136 -0.060 1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.435 -1.609 -0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 64 10.589 2.485 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 64 10.781 -2.112 -2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.932 1.986 -2.312 1.00 0.00 H new ATOM 0 HH TYR A 64 12.619 0.446 -3.740 1.00 0.00 H new ATOM 947 N ILE A 65 5.895 0.987 2.571 1.00 0.00 N ATOM 948 CA ILE A 65 5.155 1.436 3.744 1.00 0.00 C ATOM 949 C ILE A 65 5.058 0.330 4.789 1.00 0.00 C ATOM 950 O ILE A 65 5.060 -0.860 4.472 1.00 0.00 O ATOM 951 CB ILE A 65 3.735 1.900 3.371 1.00 0.00 C ATOM 952 CG1 ILE A 65 2.867 0.699 2.988 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.789 2.906 2.231 1.00 0.00 C ATOM 954 CD1 ILE A 65 3.359 -0.035 1.760 1.00 0.00 C ATOM 0 H ILE A 65 5.547 0.122 2.158 1.00 0.00 H new ATOM 0 HA ILE A 65 5.706 2.279 4.160 1.00 0.00 H new ATOM 0 HB ILE A 65 3.288 2.386 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.832 0.004 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.846 1.040 2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.778 3.225 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.376 3.772 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.252 2.443 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.696 -0.874 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.368 0.645 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.368 -0.406 1.938 1.00 0.00 H new ATOM 966 N PRO A 66 4.968 0.729 6.067 1.00 0.00 N ATOM 967 CA PRO A 66 4.866 -0.214 7.185 1.00 0.00 C ATOM 968 C PRO A 66 3.523 -0.935 7.214 1.00 0.00 C ATOM 969 O PRO A 66 2.473 -0.321 7.033 1.00 0.00 O ATOM 970 CB PRO A 66 5.019 0.681 8.418 1.00 0.00 C ATOM 971 CG PRO A 66 4.569 2.028 7.966 1.00 0.00 C ATOM 972 CD PRO A 66 4.959 2.130 6.518 1.00 0.00 C ATOM 0 HA PRO A 66 5.612 -1.006 7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.412 0.319 9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.052 0.704 8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.492 2.141 8.089 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.041 2.815 8.554 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.247 2.730 5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.936 2.597 6.397 1.00 0.00 H new ATOM 980 N GLY A 67 3.564 -2.245 7.443 1.00 0.00 N ATOM 981 CA GLY A 67 2.344 -3.028 7.492 1.00 0.00 C ATOM 982 C GLY A 67 1.283 -2.394 8.369 1.00 0.00 C ATOM 983 O GLY A 67 0.087 -2.549 8.118 1.00 0.00 O ATOM 0 H GLY A 67 4.421 -2.777 7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.952 -3.148 6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.571 -4.026 7.866 1.00 0.00 H new ATOM 987 N ILE A 68 1.719 -1.681 9.401 1.00 0.00 N ATOM 988 CA ILE A 68 0.798 -1.022 10.318 1.00 0.00 C ATOM 989 C ILE A 68 0.015 0.080 9.614 1.00 0.00 C ATOM 990 O ILE A 68 -1.130 0.366 9.968 1.00 0.00 O ATOM 991 CB ILE A 68 1.540 -0.419 11.525 1.00 0.00 C ATOM 992 CG1 ILE A 68 0.548 0.254 12.477 1.00 0.00 C ATOM 993 CG2 ILE A 68 2.591 0.576 11.057 1.00 0.00 C ATOM 994 CD1 ILE A 68 -0.333 -0.725 13.222 1.00 0.00 C ATOM 0 H ILE A 68 2.705 -1.545 9.623 1.00 0.00 H new ATOM 0 HA ILE A 68 0.106 -1.786 10.672 1.00 0.00 H new ATOM 0 HB ILE A 68 2.043 -1.223 12.063 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.100 0.855 13.199 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.082 0.938 11.908 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.107 0.994 11.921 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.311 0.069 10.414 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.109 1.379 10.499 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.011 -0.178 13.878 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.912 -1.310 12.507 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.289 -1.393 13.818 1.00 0.00 H new ATOM 1006 N CYS A 69 0.638 0.695 8.615 1.00 0.00 N ATOM 1007 CA CYS A 69 -0.001 1.767 7.859 1.00 0.00 C ATOM 1008 C CYS A 69 -0.961 1.200 6.819 1.00 0.00 C ATOM 1009 O CYS A 69 -1.602 1.946 6.079 1.00 0.00 O ATOM 1010 CB CYS A 69 1.055 2.636 7.176 1.00 0.00 C ATOM 1011 SG CYS A 69 1.692 3.975 8.211 1.00 0.00 S ATOM 0 H CYS A 69 1.585 0.470 8.309 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.571 2.381 8.556 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.887 2.003 6.867 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.627 3.064 6.270 1.00 0.00 H new ATOM 0 HG CYS A 69 2.466 4.742 7.501 1.00 0.00 H new ATOM 1017 N VAL A 70 -1.055 -0.125 6.767 1.00 0.00 N ATOM 1018 CA VAL A 70 -1.937 -0.792 5.817 1.00 0.00 C ATOM 1019 C VAL A 70 -2.688 -1.942 6.478 1.00 0.00 C ATOM 1020 O VAL A 70 -2.308 -2.409 7.551 1.00 0.00 O ATOM 1021 CB VAL A 70 -1.152 -1.334 4.607 1.00 0.00 C ATOM 1022 CG1 VAL A 70 -0.483 -0.197 3.851 1.00 0.00 C ATOM 1023 CG2 VAL A 70 -0.125 -2.363 5.057 1.00 0.00 C ATOM 0 H VAL A 70 -0.531 -0.758 7.372 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.652 -0.046 5.472 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.853 -1.824 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.067 -0.600 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.242 0.500 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.207 0.325 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.421 -2.736 4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.574 -1.899 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.633 -3.192 5.550 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.756 -2.395 5.830 1.00 0.00 N ATOM 1034 CA ALA A 71 -4.560 -3.492 6.354 1.00 0.00 C ATOM 1035 C ALA A 71 -4.751 -4.582 5.304 1.00 0.00 C ATOM 1036 O ALA A 71 -4.999 -4.294 4.134 1.00 0.00 O ATOM 1037 CB ALA A 71 -5.908 -2.977 6.833 1.00 0.00 C ATOM 0 H ALA A 71 -4.085 -2.019 4.941 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.029 -3.927 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.498 -3.807 7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.757 -2.239 7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.438 -2.515 6.000 1.00 0.00 H new ATOM 1043 N ARG A 72 -4.632 -5.835 5.732 1.00 0.00 N ATOM 1044 CA ARG A 72 -4.790 -6.969 4.828 1.00 0.00 C ATOM 1045 C ARG A 72 -6.213 -7.034 4.282 1.00 0.00 C ATOM 1046 O ARG A 72 -7.162 -7.301 5.020 1.00 0.00 O ATOM 1047 CB ARG A 72 -4.449 -8.274 5.549 1.00 0.00 C ATOM 1048 CG ARG A 72 -3.869 -9.341 4.634 1.00 0.00 C ATOM 1049 CD ARG A 72 -2.394 -9.095 4.357 1.00 0.00 C ATOM 1050 NE ARG A 72 -1.537 -9.711 5.366 1.00 0.00 N ATOM 1051 CZ ARG A 72 -1.103 -9.076 6.449 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -1.445 -7.812 6.662 1.00 0.00 N ATOM 1053 NH2 ARG A 72 -0.326 -9.704 7.322 1.00 0.00 N ATOM 0 H ARG A 72 -4.427 -6.091 6.698 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.104 -6.834 3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.736 -8.063 6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.350 -8.664 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.996 -10.322 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.420 -9.354 3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.139 -9.491 3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.205 -8.022 4.327 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.256 -10.682 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.042 -7.326 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.111 -7.326 7.494 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.061 -10.676 7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.006 -9.215 8.153 1.00 0.00 H new ATOM 1067 N VAL A 73 -6.355 -6.789 2.983 1.00 0.00 N ATOM 1068 CA VAL A 73 -7.661 -6.820 2.337 1.00 0.00 C ATOM 1069 C VAL A 73 -7.976 -8.212 1.800 1.00 0.00 C ATOM 1070 O VAL A 73 -7.076 -8.956 1.409 1.00 0.00 O ATOM 1071 CB VAL A 73 -7.740 -5.806 1.180 1.00 0.00 C ATOM 1072 CG1 VAL A 73 -9.173 -5.668 0.687 1.00 0.00 C ATOM 1073 CG2 VAL A 73 -7.185 -4.458 1.615 1.00 0.00 C ATOM 0 H VAL A 73 -5.581 -6.567 2.357 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.395 -6.551 3.096 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.131 -6.175 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.209 -4.948 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.531 -6.635 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.807 -5.322 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.248 -3.754 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.765 -4.080 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.143 -4.573 1.914 1.00 0.00 H new ATOM 1083 N SER A 74 -9.259 -8.559 1.784 1.00 0.00 N ATOM 1084 CA SER A 74 -9.692 -9.863 1.299 1.00 0.00 C ATOM 1085 C SER A 74 -9.704 -9.899 -0.227 1.00 0.00 C ATOM 1086 O SER A 74 -9.070 -10.754 -0.844 1.00 0.00 O ATOM 1087 CB SER A 74 -11.085 -10.195 1.838 1.00 0.00 C ATOM 1088 OG SER A 74 -11.047 -10.439 3.234 1.00 0.00 O ATOM 0 H SER A 74 -10.017 -7.954 2.102 1.00 0.00 H new ATOM 0 HA SER A 74 -8.983 -10.610 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.766 -9.370 1.628 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.478 -11.071 1.323 1.00 0.00 H new ATOM 0 HG SER A 74 -11.949 -10.647 3.554 1.00 0.00 H new ATOM 1094 N GLY A 75 -10.431 -8.963 -0.829 1.00 0.00 N ATOM 1095 CA GLY A 75 -10.512 -8.904 -2.277 1.00 0.00 C ATOM 1096 C GLY A 75 -11.903 -8.550 -2.765 1.00 0.00 C ATOM 1097 O GLY A 75 -12.712 -7.975 -2.037 1.00 0.00 O ATOM 0 H GLY A 75 -10.965 -8.245 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.801 -8.166 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.218 -9.867 -2.694 1.00 0.00 H new ATOM 1101 N PRO A 76 -12.196 -8.894 -4.028 1.00 0.00 N ATOM 1102 CA PRO A 76 -13.498 -8.618 -4.641 1.00 0.00 C ATOM 1103 C PRO A 76 -14.613 -9.471 -4.046 1.00 0.00 C ATOM 1104 O PRO A 76 -15.751 -9.021 -3.917 1.00 0.00 O ATOM 1105 CB PRO A 76 -13.280 -8.976 -6.114 1.00 0.00 C ATOM 1106 CG PRO A 76 -12.170 -9.969 -6.101 1.00 0.00 C ATOM 1107 CD PRO A 76 -11.279 -9.581 -4.953 1.00 0.00 C ATOM 0 HA PRO A 76 -13.813 -7.587 -4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.183 -9.397 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.017 -8.096 -6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.554 -10.981 -5.972 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.622 -9.953 -7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.819 -10.453 -4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.469 -8.927 -5.276 1.00 0.00 H new ATOM 1115 N SER A 77 -14.277 -10.705 -3.683 1.00 0.00 N ATOM 1116 CA SER A 77 -15.251 -11.623 -3.103 1.00 0.00 C ATOM 1117 C SER A 77 -14.641 -12.399 -1.940 1.00 0.00 C ATOM 1118 O SER A 77 -13.430 -12.366 -1.724 1.00 0.00 O ATOM 1119 CB SER A 77 -15.763 -12.596 -4.167 1.00 0.00 C ATOM 1120 OG SER A 77 -17.059 -13.069 -3.845 1.00 0.00 O ATOM 0 H SER A 77 -13.338 -11.092 -3.780 1.00 0.00 H new ATOM 0 HA SER A 77 -16.088 -11.035 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 77 -15.784 -12.100 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.077 -13.438 -4.254 1.00 0.00 H new ATOM 0 HG SER A 77 -17.364 -13.688 -4.541 1.00 0.00 H new ATOM 1126 N SER A 78 -15.490 -13.097 -1.192 1.00 0.00 N ATOM 1127 CA SER A 78 -15.037 -13.878 -0.048 1.00 0.00 C ATOM 1128 C SER A 78 -15.472 -15.335 -0.178 1.00 0.00 C ATOM 1129 O SER A 78 -16.660 -15.647 -0.112 1.00 0.00 O ATOM 1130 CB SER A 78 -15.584 -13.284 1.252 1.00 0.00 C ATOM 1131 OG SER A 78 -15.065 -13.965 2.381 1.00 0.00 O ATOM 0 H SER A 78 -16.496 -13.137 -1.358 1.00 0.00 H new ATOM 0 HA SER A 78 -13.948 -13.843 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.325 -12.227 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 78 -16.672 -13.346 1.254 1.00 0.00 H new ATOM 0 HG SER A 78 -15.428 -13.566 3.199 1.00 0.00 H new ATOM 1137 N GLY A 79 -14.500 -16.223 -0.363 1.00 0.00 N ATOM 1138 CA GLY A 79 -14.802 -17.636 -0.499 1.00 0.00 C ATOM 1139 C GLY A 79 -14.689 -18.117 -1.932 1.00 0.00 C ATOM 1140 O GLY A 79 -13.595 -18.164 -2.494 1.00 0.00 O ATOM 0 H GLY A 79 -13.509 -15.989 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.122 -18.212 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.811 -17.826 -0.134 1.00 0.00 H new TER 1144 GLY A 79