USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 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 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= -0.0185 USER MOD Single : A 8 ASN : amide:sc= 0.137 K(o=0.14,f=-1.5) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 42:sc= 0.628 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0733 K(o=-0.073,f=-1.4!) USER MOD Single : A 23 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.23) USER MOD Single : A 28 THR OG1 : rot -110:sc= -2.63! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -2.93 X(o=-2.9,f=-3) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -2.98 F(o=-4!,f=-3) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.317 -18.565 -9.062 1.00 0.00 N ATOM 2 CA GLY A 1 23.095 -18.859 -7.873 1.00 0.00 C ATOM 3 C GLY A 1 22.867 -17.851 -6.765 1.00 0.00 C ATOM 4 O GLY A 1 23.818 -17.325 -6.188 1.00 0.00 O ATOM 0 H1 GLY A 1 22.509 -19.283 -9.789 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.304 -18.574 -8.825 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.579 -17.626 -9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.838 -19.855 -7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.154 -18.877 -8.131 1.00 0.00 H new ATOM 8 N SER A 2 21.599 -17.578 -6.468 1.00 0.00 N ATOM 9 CA SER A 2 21.248 -16.621 -5.425 1.00 0.00 C ATOM 10 C SER A 2 21.345 -17.263 -4.044 1.00 0.00 C ATOM 11 O SER A 2 21.127 -18.465 -3.889 1.00 0.00 O ATOM 12 CB SER A 2 19.834 -16.085 -5.653 1.00 0.00 C ATOM 13 OG SER A 2 18.858 -17.025 -5.237 1.00 0.00 O ATOM 0 H SER A 2 20.799 -18.006 -6.935 1.00 0.00 H new ATOM 0 HA SER A 2 21.955 -15.793 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.702 -15.153 -5.104 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.695 -15.855 -6.709 1.00 0.00 H new ATOM 0 HG SER A 2 17.963 -16.657 -5.392 1.00 0.00 H new ATOM 19 N SER A 3 21.673 -16.452 -3.043 1.00 0.00 N ATOM 20 CA SER A 3 21.803 -16.939 -1.675 1.00 0.00 C ATOM 21 C SER A 3 20.551 -16.621 -0.864 1.00 0.00 C ATOM 22 O SER A 3 19.960 -17.502 -0.242 1.00 0.00 O ATOM 23 CB SER A 3 23.031 -16.319 -1.005 1.00 0.00 C ATOM 24 OG SER A 3 23.328 -16.972 0.217 1.00 0.00 O ATOM 0 H SER A 3 21.854 -15.454 -3.154 1.00 0.00 H new ATOM 0 HA SER A 3 21.926 -18.021 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.888 -16.387 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.853 -15.259 -0.821 1.00 0.00 H new ATOM 0 HG SER A 3 24.117 -16.559 0.625 1.00 0.00 H new ATOM 30 N GLY A 4 20.152 -15.352 -0.876 1.00 0.00 N ATOM 31 CA GLY A 4 18.974 -14.938 -0.138 1.00 0.00 C ATOM 32 C GLY A 4 17.899 -14.361 -1.038 1.00 0.00 C ATOM 33 O GLY A 4 18.010 -13.224 -1.498 1.00 0.00 O ATOM 0 H GLY A 4 20.624 -14.604 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.570 -15.793 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.258 -14.194 0.606 1.00 0.00 H new ATOM 37 N SER A 5 16.857 -15.145 -1.292 1.00 0.00 N ATOM 38 CA SER A 5 15.761 -14.707 -2.149 1.00 0.00 C ATOM 39 C SER A 5 14.465 -14.585 -1.352 1.00 0.00 C ATOM 40 O SER A 5 13.397 -14.979 -1.820 1.00 0.00 O ATOM 41 CB SER A 5 15.570 -15.685 -3.309 1.00 0.00 C ATOM 42 OG SER A 5 15.255 -16.983 -2.835 1.00 0.00 O ATOM 0 H SER A 5 16.748 -16.087 -0.917 1.00 0.00 H new ATOM 0 HA SER A 5 16.015 -13.726 -2.550 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.772 -15.329 -3.961 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.479 -15.724 -3.909 1.00 0.00 H new ATOM 0 HG SER A 5 15.136 -17.589 -3.596 1.00 0.00 H new ATOM 48 N SER A 6 14.569 -14.036 -0.146 1.00 0.00 N ATOM 49 CA SER A 6 13.407 -13.865 0.718 1.00 0.00 C ATOM 50 C SER A 6 13.489 -12.549 1.485 1.00 0.00 C ATOM 51 O SER A 6 14.481 -11.825 1.394 1.00 0.00 O ATOM 52 CB SER A 6 13.298 -15.034 1.700 1.00 0.00 C ATOM 53 OG SER A 6 12.020 -15.068 2.312 1.00 0.00 O ATOM 0 H SER A 6 15.446 -13.702 0.255 1.00 0.00 H new ATOM 0 HA SER A 6 12.518 -13.844 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.478 -15.972 1.175 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.069 -14.943 2.465 1.00 0.00 H new ATOM 0 HG SER A 6 11.975 -15.824 2.933 1.00 0.00 H new ATOM 59 N GLY A 7 12.438 -12.244 2.241 1.00 0.00 N ATOM 60 CA GLY A 7 12.412 -11.016 3.013 1.00 0.00 C ATOM 61 C GLY A 7 11.266 -10.980 4.005 1.00 0.00 C ATOM 62 O GLY A 7 10.467 -11.913 4.075 1.00 0.00 O ATOM 0 H GLY A 7 11.605 -12.825 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.355 -10.907 3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.329 -10.166 2.336 1.00 0.00 H new ATOM 66 N ASN A 8 11.185 -9.900 4.775 1.00 0.00 N ATOM 67 CA ASN A 8 10.130 -9.747 5.770 1.00 0.00 C ATOM 68 C ASN A 8 8.755 -9.961 5.143 1.00 0.00 C ATOM 69 O ASN A 8 8.630 -10.088 3.924 1.00 0.00 O ATOM 70 CB ASN A 8 10.200 -8.359 6.410 1.00 0.00 C ATOM 71 CG ASN A 8 11.579 -8.043 6.955 1.00 0.00 C ATOM 72 OD1 ASN A 8 12.492 -7.698 6.204 1.00 0.00 O ATOM 73 ND2 ASN A 8 11.737 -8.160 8.268 1.00 0.00 N ATOM 0 H ASN A 8 11.838 -9.117 4.729 1.00 0.00 H new ATOM 0 HA ASN A 8 10.280 -10.503 6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.923 -7.607 5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.470 -8.297 7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.643 -7.961 8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.952 -8.449 8.852 1.00 0.00 H new ATOM 80 N LYS A 9 7.727 -10.000 5.983 1.00 0.00 N ATOM 81 CA LYS A 9 6.361 -10.197 5.512 1.00 0.00 C ATOM 82 C LYS A 9 5.787 -8.900 4.953 1.00 0.00 C ATOM 83 O LYS A 9 5.481 -7.970 5.700 1.00 0.00 O ATOM 84 CB LYS A 9 5.477 -10.709 6.651 1.00 0.00 C ATOM 85 CG LYS A 9 5.528 -12.218 6.829 1.00 0.00 C ATOM 86 CD LYS A 9 4.923 -12.940 5.638 1.00 0.00 C ATOM 87 CE LYS A 9 4.844 -14.440 5.877 1.00 0.00 C ATOM 88 NZ LYS A 9 3.637 -14.813 6.666 1.00 0.00 N ATOM 0 H LYS A 9 7.814 -9.898 6.994 1.00 0.00 H new ATOM 0 HA LYS A 9 6.381 -10.939 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.784 -10.231 7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.446 -10.408 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.563 -12.535 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.991 -12.497 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.925 -12.549 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.522 -12.743 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.827 -14.960 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.739 -14.772 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.619 -15.843 6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.666 -14.337 7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.782 -14.520 6.152 1.00 0.00 H new ATOM 102 N VAL A 10 5.639 -8.843 3.633 1.00 0.00 N ATOM 103 CA VAL A 10 5.099 -7.661 2.973 1.00 0.00 C ATOM 104 C VAL A 10 3.599 -7.800 2.738 1.00 0.00 C ATOM 105 O VAL A 10 3.086 -8.907 2.575 1.00 0.00 O ATOM 106 CB VAL A 10 5.796 -7.402 1.624 1.00 0.00 C ATOM 107 CG1 VAL A 10 7.302 -7.566 1.762 1.00 0.00 C ATOM 108 CG2 VAL A 10 5.245 -8.331 0.554 1.00 0.00 C ATOM 0 H VAL A 10 5.886 -9.603 2.999 1.00 0.00 H new ATOM 0 HA VAL A 10 5.284 -6.817 3.637 1.00 0.00 H new ATOM 0 HB VAL A 10 5.593 -6.375 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.778 -7.379 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.680 -6.855 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.529 -8.581 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.748 -8.135 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.416 -9.367 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.175 -8.159 0.439 1.00 0.00 H new ATOM 118 N ARG A 11 2.900 -6.669 2.723 1.00 0.00 N ATOM 119 CA ARG A 11 1.458 -6.665 2.509 1.00 0.00 C ATOM 120 C ARG A 11 1.103 -5.941 1.215 1.00 0.00 C ATOM 121 O ARG A 11 1.622 -4.861 0.933 1.00 0.00 O ATOM 122 CB ARG A 11 0.748 -6.001 3.690 1.00 0.00 C ATOM 123 CG ARG A 11 0.337 -6.975 4.782 1.00 0.00 C ATOM 124 CD ARG A 11 -0.919 -6.510 5.501 1.00 0.00 C ATOM 125 NE ARG A 11 -1.234 -7.352 6.652 1.00 0.00 N ATOM 126 CZ ARG A 11 -1.686 -8.597 6.550 1.00 0.00 C ATOM 127 NH1 ARG A 11 -1.873 -9.141 5.357 1.00 0.00 N ATOM 128 NH2 ARG A 11 -1.950 -9.299 7.645 1.00 0.00 N ATOM 0 H ARG A 11 3.309 -5.744 2.856 1.00 0.00 H new ATOM 0 HA ARG A 11 1.124 -7.700 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.405 -5.244 4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.139 -5.483 3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.165 -7.959 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.150 -7.082 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.787 -5.479 5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.758 -6.517 4.806 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.100 -6.963 7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.670 -8.604 4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.220 -10.097 5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.806 -8.883 8.565 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.297 -10.255 7.567 1.00 0.00 H new ATOM 142 N ARG A 12 0.215 -6.543 0.430 1.00 0.00 N ATOM 143 CA ARG A 12 -0.208 -5.956 -0.836 1.00 0.00 C ATOM 144 C ARG A 12 -1.662 -5.500 -0.764 1.00 0.00 C ATOM 145 O ARG A 12 -2.567 -6.304 -0.540 1.00 0.00 O ATOM 146 CB ARG A 12 -0.035 -6.965 -1.974 1.00 0.00 C ATOM 147 CG ARG A 12 0.259 -6.320 -3.318 1.00 0.00 C ATOM 148 CD ARG A 12 0.464 -7.366 -4.404 1.00 0.00 C ATOM 149 NE ARG A 12 1.829 -7.885 -4.412 1.00 0.00 N ATOM 150 CZ ARG A 12 2.208 -8.945 -5.117 1.00 0.00 C ATOM 151 NH1 ARG A 12 1.328 -9.596 -5.866 1.00 0.00 N ATOM 152 NH2 ARG A 12 3.468 -9.357 -5.073 1.00 0.00 N ATOM 0 H ARG A 12 -0.225 -7.437 0.648 1.00 0.00 H new ATOM 0 HA ARG A 12 0.419 -5.086 -1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.776 -7.648 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.942 -7.564 -2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.565 -5.662 -3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.150 -5.698 -3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.236 -8.188 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.236 -6.929 -5.376 1.00 0.00 H new ATOM 0 HE ARG A 12 2.530 -7.407 -3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.358 -9.283 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.621 -10.410 -6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.147 -8.860 -4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.758 -10.171 -5.615 1.00 0.00 H new ATOM 166 N VAL A 13 -1.881 -4.202 -0.956 1.00 0.00 N ATOM 167 CA VAL A 13 -3.224 -3.639 -0.914 1.00 0.00 C ATOM 168 C VAL A 13 -3.558 -2.915 -2.214 1.00 0.00 C ATOM 169 O VAL A 13 -2.702 -2.752 -3.084 1.00 0.00 O ATOM 170 CB VAL A 13 -3.385 -2.657 0.262 1.00 0.00 C ATOM 171 CG1 VAL A 13 -3.280 -3.392 1.590 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.347 -1.547 0.174 1.00 0.00 C ATOM 0 H VAL A 13 -1.144 -3.522 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.912 -4.473 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.375 -2.204 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.396 -2.682 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.063 -4.147 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.305 -3.874 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.475 -0.862 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.347 -1.980 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.475 -1.003 -0.762 1.00 0.00 H new ATOM 182 N LYS A 14 -4.808 -2.484 -2.340 1.00 0.00 N ATOM 183 CA LYS A 14 -5.258 -1.776 -3.534 1.00 0.00 C ATOM 184 C LYS A 14 -6.044 -0.524 -3.160 1.00 0.00 C ATOM 185 O LYS A 14 -6.884 -0.551 -2.260 1.00 0.00 O ATOM 186 CB LYS A 14 -6.121 -2.693 -4.402 1.00 0.00 C ATOM 187 CG LYS A 14 -6.606 -2.040 -5.684 1.00 0.00 C ATOM 188 CD LYS A 14 -7.815 -2.760 -6.255 1.00 0.00 C ATOM 189 CE LYS A 14 -7.884 -2.620 -7.768 1.00 0.00 C ATOM 190 NZ LYS A 14 -8.915 -3.515 -8.361 1.00 0.00 N ATOM 0 H LYS A 14 -5.529 -2.612 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.377 -1.475 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.548 -3.586 -4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.984 -3.021 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.861 -0.998 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.802 -2.039 -6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.771 -3.816 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.724 -2.356 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.109 -1.585 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.910 -2.852 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.931 -3.390 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.687 -4.504 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.848 -3.277 -7.969 1.00 0.00 H new ATOM 204 N THR A 15 -5.767 0.575 -3.857 1.00 0.00 N ATOM 205 CA THR A 15 -6.449 1.836 -3.599 1.00 0.00 C ATOM 206 C THR A 15 -7.859 1.828 -4.178 1.00 0.00 C ATOM 207 O THR A 15 -8.048 2.019 -5.380 1.00 0.00 O ATOM 208 CB THR A 15 -5.671 3.027 -4.189 1.00 0.00 C ATOM 209 OG1 THR A 15 -5.547 2.876 -5.608 1.00 0.00 O ATOM 210 CG2 THR A 15 -4.288 3.132 -3.563 1.00 0.00 C ATOM 0 H THR A 15 -5.074 0.616 -4.605 1.00 0.00 H new ATOM 0 HA THR A 15 -6.505 1.948 -2.516 1.00 0.00 H new ATOM 0 HB THR A 15 -6.224 3.940 -3.968 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.396 2.556 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.757 3.980 -3.995 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.386 3.275 -2.487 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.730 2.216 -3.758 1.00 0.00 H new ATOM 218 N ILE A 16 -8.846 1.605 -3.318 1.00 0.00 N ATOM 219 CA ILE A 16 -10.240 1.574 -3.745 1.00 0.00 C ATOM 220 C ILE A 16 -10.781 2.983 -3.958 1.00 0.00 C ATOM 221 O ILE A 16 -11.865 3.167 -4.512 1.00 0.00 O ATOM 222 CB ILE A 16 -11.128 0.845 -2.720 1.00 0.00 C ATOM 223 CG1 ILE A 16 -10.935 1.448 -1.327 1.00 0.00 C ATOM 224 CG2 ILE A 16 -10.810 -0.642 -2.707 1.00 0.00 C ATOM 225 CD1 ILE A 16 -12.061 1.126 -0.368 1.00 0.00 C ATOM 0 H ILE A 16 -8.707 1.443 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.268 1.030 -4.689 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.171 0.971 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.997 1.083 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.844 2.530 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.446 -1.144 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.992 -1.062 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.764 -0.788 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.858 1.585 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.999 1.515 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -12.138 0.045 -0.247 1.00 0.00 H new ATOM 237 N TYR A 17 -10.018 3.978 -3.515 1.00 0.00 N ATOM 238 CA TYR A 17 -10.421 5.372 -3.656 1.00 0.00 C ATOM 239 C TYR A 17 -9.251 6.232 -4.122 1.00 0.00 C ATOM 240 O TYR A 17 -8.090 5.912 -3.867 1.00 0.00 O ATOM 241 CB TYR A 17 -10.964 5.904 -2.329 1.00 0.00 C ATOM 242 CG TYR A 17 -12.256 5.250 -1.897 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.314 5.100 -2.787 1.00 0.00 C ATOM 244 CD2 TYR A 17 -12.421 4.781 -0.600 1.00 0.00 C ATOM 245 CE1 TYR A 17 -14.496 4.504 -2.396 1.00 0.00 C ATOM 246 CE2 TYR A 17 -13.600 4.181 -0.201 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.635 4.045 -1.102 1.00 0.00 C ATOM 248 OH TYR A 17 -15.812 3.450 -0.709 1.00 0.00 O ATOM 0 H TYR A 17 -9.117 3.844 -3.055 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.208 5.423 -4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.214 5.754 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.122 6.979 -2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.209 5.456 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.613 4.887 0.109 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.308 4.397 -3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.710 3.820 0.811 1.00 0.00 H new ATOM 0 HH TYR A 17 -15.745 3.183 0.231 1.00 0.00 H new ATOM 258 N ASP A 18 -9.566 7.327 -4.807 1.00 0.00 N ATOM 259 CA ASP A 18 -8.542 8.236 -5.308 1.00 0.00 C ATOM 260 C ASP A 18 -8.045 9.159 -4.200 1.00 0.00 C ATOM 261 O ASP A 18 -8.825 9.614 -3.362 1.00 0.00 O ATOM 262 CB ASP A 18 -9.090 9.064 -6.472 1.00 0.00 C ATOM 263 CG ASP A 18 -9.787 8.209 -7.512 1.00 0.00 C ATOM 264 OD1 ASP A 18 -10.914 7.745 -7.241 1.00 0.00 O ATOM 265 OD2 ASP A 18 -9.205 8.006 -8.598 1.00 0.00 O ATOM 0 H ASP A 18 -10.522 7.606 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.702 7.638 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.789 9.807 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.272 9.610 -6.943 1.00 0.00 H new ATOM 270 N CYS A 19 -6.745 9.430 -4.201 1.00 0.00 N ATOM 271 CA CYS A 19 -6.145 10.298 -3.194 1.00 0.00 C ATOM 272 C CYS A 19 -5.051 11.166 -3.807 1.00 0.00 C ATOM 273 O CYS A 19 -4.023 10.661 -4.256 1.00 0.00 O ATOM 274 CB CYS A 19 -5.568 9.463 -2.050 1.00 0.00 C ATOM 275 SG CYS A 19 -5.171 10.418 -0.566 1.00 0.00 S ATOM 0 H CYS A 19 -6.086 9.062 -4.887 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.925 10.951 -2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.283 8.683 -1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.665 8.962 -2.399 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.692 9.624 0.345 1.00 0.00 H new ATOM 281 N GLN A 20 -5.283 12.476 -3.824 1.00 0.00 N ATOM 282 CA GLN A 20 -4.317 13.414 -4.385 1.00 0.00 C ATOM 283 C GLN A 20 -3.450 14.023 -3.289 1.00 0.00 C ATOM 284 O GLN A 20 -3.688 15.147 -2.848 1.00 0.00 O ATOM 285 CB GLN A 20 -5.040 14.521 -5.155 1.00 0.00 C ATOM 286 CG GLN A 20 -4.105 15.581 -5.715 1.00 0.00 C ATOM 287 CD GLN A 20 -3.425 15.141 -6.997 1.00 0.00 C ATOM 288 OE1 GLN A 20 -3.968 14.340 -7.757 1.00 0.00 O ATOM 289 NE2 GLN A 20 -2.231 15.666 -7.244 1.00 0.00 N ATOM 0 H GLN A 20 -6.130 12.910 -3.457 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.671 12.866 -5.071 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.603 14.074 -5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.764 14.999 -4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.669 16.495 -5.902 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.347 15.821 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.818 16.327 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.726 15.409 -8.092 1.00 0.00 H new ATOM 298 N ALA A 21 -2.443 13.273 -2.853 1.00 0.00 N ATOM 299 CA ALA A 21 -1.538 13.739 -1.810 1.00 0.00 C ATOM 300 C ALA A 21 -1.115 15.184 -2.056 1.00 0.00 C ATOM 301 O ALA A 21 -0.735 15.548 -3.169 1.00 0.00 O ATOM 302 CB ALA A 21 -0.317 12.836 -1.726 1.00 0.00 C ATOM 0 H ALA A 21 -2.234 12.339 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.069 13.700 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.349 13.197 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.632 11.819 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.208 12.844 -2.681 1.00 0.00 H new ATOM 308 N ASP A 22 -1.182 16.002 -1.011 1.00 0.00 N ATOM 309 CA ASP A 22 -0.804 17.407 -1.115 1.00 0.00 C ATOM 310 C ASP A 22 0.547 17.656 -0.452 1.00 0.00 C ATOM 311 O ASP A 22 0.947 18.801 -0.249 1.00 0.00 O ATOM 312 CB ASP A 22 -1.873 18.292 -0.471 1.00 0.00 C ATOM 313 CG ASP A 22 -2.987 18.649 -1.436 1.00 0.00 C ATOM 314 OD1 ASP A 22 -3.652 17.722 -1.945 1.00 0.00 O ATOM 315 OD2 ASP A 22 -3.194 19.856 -1.683 1.00 0.00 O ATOM 0 H ASP A 22 -1.494 15.717 -0.083 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.722 17.660 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.295 17.777 0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.409 19.207 -0.102 1.00 0.00 H new ATOM 320 N ASN A 23 1.244 16.576 -0.116 1.00 0.00 N ATOM 321 CA ASN A 23 2.550 16.679 0.525 1.00 0.00 C ATOM 322 C ASN A 23 3.474 15.557 0.058 1.00 0.00 C ATOM 323 O ASN A 23 3.020 14.548 -0.479 1.00 0.00 O ATOM 324 CB ASN A 23 2.400 16.631 2.046 1.00 0.00 C ATOM 325 CG ASN A 23 2.203 18.007 2.652 1.00 0.00 C ATOM 326 OD1 ASN A 23 2.965 18.933 2.375 1.00 0.00 O ATOM 327 ND2 ASN A 23 1.177 18.146 3.483 1.00 0.00 N ATOM 0 H ASN A 23 0.927 15.620 -0.277 1.00 0.00 H new ATOM 0 HA ASN A 23 2.993 17.634 0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.551 15.998 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.286 16.169 2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.994 19.049 3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.571 17.350 3.683 1.00 0.00 H new ATOM 334 N ASP A 24 4.773 15.742 0.269 1.00 0.00 N ATOM 335 CA ASP A 24 5.762 14.747 -0.128 1.00 0.00 C ATOM 336 C ASP A 24 5.645 13.492 0.732 1.00 0.00 C ATOM 337 O ASP A 24 5.768 12.372 0.235 1.00 0.00 O ATOM 338 CB ASP A 24 7.173 15.326 -0.018 1.00 0.00 C ATOM 339 CG ASP A 24 7.618 15.496 1.421 1.00 0.00 C ATOM 340 OD1 ASP A 24 7.174 16.467 2.070 1.00 0.00 O ATOM 341 OD2 ASP A 24 8.410 14.658 1.900 1.00 0.00 O ATOM 0 H ASP A 24 5.165 16.572 0.713 1.00 0.00 H new ATOM 0 HA ASP A 24 5.570 14.474 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.873 14.671 -0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.207 16.292 -0.522 1.00 0.00 H new ATOM 346 N ASP A 25 5.407 13.687 2.025 1.00 0.00 N ATOM 347 CA ASP A 25 5.274 12.573 2.955 1.00 0.00 C ATOM 348 C ASP A 25 4.080 11.698 2.586 1.00 0.00 C ATOM 349 O ASP A 25 4.081 10.493 2.841 1.00 0.00 O ATOM 350 CB ASP A 25 5.120 13.090 4.386 1.00 0.00 C ATOM 351 CG ASP A 25 4.149 14.249 4.482 1.00 0.00 C ATOM 352 OD1 ASP A 25 4.580 15.403 4.269 1.00 0.00 O ATOM 353 OD2 ASP A 25 2.958 14.005 4.769 1.00 0.00 O ATOM 0 H ASP A 25 5.302 14.607 2.452 1.00 0.00 H new ATOM 0 HA ASP A 25 6.179 11.969 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.777 12.278 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.094 13.404 4.763 1.00 0.00 H new ATOM 358 N GLU A 26 3.065 12.311 1.986 1.00 0.00 N ATOM 359 CA GLU A 26 1.865 11.587 1.585 1.00 0.00 C ATOM 360 C GLU A 26 1.985 11.090 0.147 1.00 0.00 C ATOM 361 O GLU A 26 2.246 11.867 -0.771 1.00 0.00 O ATOM 362 CB GLU A 26 0.632 12.482 1.725 1.00 0.00 C ATOM 363 CG GLU A 26 0.238 12.753 3.167 1.00 0.00 C ATOM 364 CD GLU A 26 0.219 11.495 4.013 1.00 0.00 C ATOM 365 OE1 GLU A 26 -0.359 10.485 3.561 1.00 0.00 O ATOM 366 OE2 GLU A 26 0.782 11.521 5.127 1.00 0.00 O ATOM 0 H GLU A 26 3.050 13.307 1.767 1.00 0.00 H new ATOM 0 HA GLU A 26 1.755 10.724 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.824 13.431 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.207 12.014 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.936 13.468 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.748 13.216 3.189 1.00 0.00 H new ATOM 373 N LEU A 27 1.794 9.788 -0.040 1.00 0.00 N ATOM 374 CA LEU A 27 1.881 9.185 -1.366 1.00 0.00 C ATOM 375 C LEU A 27 0.699 9.605 -2.234 1.00 0.00 C ATOM 376 O LEU A 27 -0.405 9.829 -1.734 1.00 0.00 O ATOM 377 CB LEU A 27 1.929 7.660 -1.251 1.00 0.00 C ATOM 378 CG LEU A 27 2.054 6.892 -2.568 1.00 0.00 C ATOM 379 CD1 LEU A 27 3.397 7.171 -3.223 1.00 0.00 C ATOM 380 CD2 LEU A 27 1.871 5.400 -2.333 1.00 0.00 C ATOM 0 H LEU A 27 1.578 9.130 0.709 1.00 0.00 H new ATOM 0 HA LEU A 27 2.798 9.537 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.772 7.390 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.025 7.325 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 27 1.268 7.232 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.468 6.616 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.488 8.238 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.200 6.859 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.963 4.869 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.635 5.044 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.884 5.217 -1.909 1.00 0.00 H new ATOM 392 N THR A 28 0.936 9.707 -3.538 1.00 0.00 N ATOM 393 CA THR A 28 -0.108 10.098 -4.476 1.00 0.00 C ATOM 394 C THR A 28 -0.510 8.931 -5.370 1.00 0.00 C ATOM 395 O THR A 28 0.254 8.509 -6.238 1.00 0.00 O ATOM 396 CB THR A 28 0.343 11.275 -5.360 1.00 0.00 C ATOM 397 OG1 THR A 28 0.767 12.370 -4.540 1.00 0.00 O ATOM 398 CG2 THR A 28 -0.784 11.728 -6.276 1.00 0.00 C ATOM 0 H THR A 28 1.843 9.524 -3.968 1.00 0.00 H new ATOM 0 HA THR A 28 -0.967 10.408 -3.881 1.00 0.00 H new ATOM 0 HB THR A 28 1.177 10.938 -5.976 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.119 13.102 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.441 12.560 -6.891 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.084 10.901 -6.920 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.635 12.047 -5.675 1.00 0.00 H new ATOM 406 N PHE A 29 -1.715 8.413 -5.153 1.00 0.00 N ATOM 407 CA PHE A 29 -2.218 7.293 -5.940 1.00 0.00 C ATOM 408 C PHE A 29 -3.622 7.582 -6.462 1.00 0.00 C ATOM 409 O PHE A 29 -4.169 8.663 -6.238 1.00 0.00 O ATOM 410 CB PHE A 29 -2.228 6.015 -5.098 1.00 0.00 C ATOM 411 CG PHE A 29 -2.927 6.172 -3.778 1.00 0.00 C ATOM 412 CD1 PHE A 29 -4.302 6.026 -3.685 1.00 0.00 C ATOM 413 CD2 PHE A 29 -2.209 6.465 -2.630 1.00 0.00 C ATOM 414 CE1 PHE A 29 -4.947 6.170 -2.472 1.00 0.00 C ATOM 415 CE2 PHE A 29 -2.850 6.609 -1.413 1.00 0.00 C ATOM 416 CZ PHE A 29 -4.220 6.461 -1.334 1.00 0.00 C ATOM 0 H PHE A 29 -2.361 8.751 -4.439 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.554 7.153 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.713 5.220 -5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.200 5.698 -4.920 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.876 5.797 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.137 6.582 -2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.019 6.055 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.279 6.837 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.723 6.572 -0.385 1.00 0.00 H new ATOM 426 N ILE A 30 -4.200 6.610 -7.158 1.00 0.00 N ATOM 427 CA ILE A 30 -5.540 6.760 -7.711 1.00 0.00 C ATOM 428 C ILE A 30 -6.285 5.429 -7.716 1.00 0.00 C ATOM 429 O ILE A 30 -5.672 4.364 -7.794 1.00 0.00 O ATOM 430 CB ILE A 30 -5.498 7.316 -9.148 1.00 0.00 C ATOM 431 CG1 ILE A 30 -4.652 6.409 -10.045 1.00 0.00 C ATOM 432 CG2 ILE A 30 -4.947 8.735 -9.149 1.00 0.00 C ATOM 433 CD1 ILE A 30 -5.094 6.409 -11.491 1.00 0.00 C ATOM 0 H ILE A 30 -3.762 5.710 -7.353 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.067 7.467 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.513 7.340 -9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.611 6.727 -9.992 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.694 5.390 -9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.923 9.115 -10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.586 9.374 -8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.937 8.734 -8.739 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.450 5.745 -12.068 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.125 6.062 -11.556 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.025 7.420 -11.892 1.00 0.00 H new ATOM 445 N GLU A 31 -7.610 5.499 -7.635 1.00 0.00 N ATOM 446 CA GLU A 31 -8.438 4.298 -7.630 1.00 0.00 C ATOM 447 C GLU A 31 -7.965 3.307 -8.690 1.00 0.00 C ATOM 448 O GLU A 31 -7.958 3.613 -9.881 1.00 0.00 O ATOM 449 CB GLU A 31 -9.904 4.662 -7.874 1.00 0.00 C ATOM 450 CG GLU A 31 -10.868 3.519 -7.606 1.00 0.00 C ATOM 451 CD GLU A 31 -12.218 3.727 -8.266 1.00 0.00 C ATOM 452 OE1 GLU A 31 -12.337 3.440 -9.475 1.00 0.00 O ATOM 453 OE2 GLU A 31 -13.154 4.176 -7.573 1.00 0.00 O ATOM 0 H GLU A 31 -8.132 6.373 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.346 3.828 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.170 5.507 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.021 4.990 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.431 2.588 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.007 3.410 -6.530 1.00 0.00 H new ATOM 460 N GLY A 32 -7.571 2.117 -8.245 1.00 0.00 N ATOM 461 CA GLY A 32 -7.101 1.100 -9.168 1.00 0.00 C ATOM 462 C GLY A 32 -5.590 0.990 -9.189 1.00 0.00 C ATOM 463 O GLY A 32 -4.990 0.813 -10.249 1.00 0.00 O ATOM 0 H GLY A 32 -7.569 1.840 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.528 0.136 -8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.459 1.331 -10.171 1.00 0.00 H new ATOM 467 N GLU A 33 -4.973 1.099 -8.016 1.00 0.00 N ATOM 468 CA GLU A 33 -3.521 1.013 -7.908 1.00 0.00 C ATOM 469 C GLU A 33 -3.116 0.084 -6.767 1.00 0.00 C ATOM 470 O GLU A 33 -3.908 -0.197 -5.869 1.00 0.00 O ATOM 471 CB GLU A 33 -2.922 2.403 -7.684 1.00 0.00 C ATOM 472 CG GLU A 33 -3.025 3.313 -8.898 1.00 0.00 C ATOM 473 CD GLU A 33 -1.866 3.135 -9.859 1.00 0.00 C ATOM 474 OE1 GLU A 33 -1.082 2.180 -9.673 1.00 0.00 O ATOM 475 OE2 GLU A 33 -1.742 3.949 -10.798 1.00 0.00 O ATOM 0 H GLU A 33 -5.455 1.247 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.135 0.604 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.427 2.876 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.873 2.297 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.960 3.111 -9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.062 4.351 -8.567 1.00 0.00 H new ATOM 482 N VAL A 34 -1.875 -0.391 -6.812 1.00 0.00 N ATOM 483 CA VAL A 34 -1.362 -1.289 -5.784 1.00 0.00 C ATOM 484 C VAL A 34 -0.221 -0.641 -5.008 1.00 0.00 C ATOM 485 O VAL A 34 0.652 0.004 -5.591 1.00 0.00 O ATOM 486 CB VAL A 34 -0.867 -2.614 -6.392 1.00 0.00 C ATOM 487 CG1 VAL A 34 -0.309 -3.524 -5.308 1.00 0.00 C ATOM 488 CG2 VAL A 34 -1.990 -3.304 -7.153 1.00 0.00 C ATOM 0 H VAL A 34 -1.206 -0.169 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.188 -1.496 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.065 -2.393 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.036 -4.456 -5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.526 -3.029 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.089 -3.740 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.622 -4.239 -7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.815 -3.514 -6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.338 -2.654 -7.956 1.00 0.00 H new ATOM 498 N ILE A 35 -0.234 -0.817 -3.692 1.00 0.00 N ATOM 499 CA ILE A 35 0.801 -0.251 -2.836 1.00 0.00 C ATOM 500 C ILE A 35 1.488 -1.336 -2.011 1.00 0.00 C ATOM 501 O ILE A 35 0.843 -2.036 -1.230 1.00 0.00 O ATOM 502 CB ILE A 35 0.225 0.813 -1.884 1.00 0.00 C ATOM 503 CG1 ILE A 35 -0.456 1.927 -2.682 1.00 0.00 C ATOM 504 CG2 ILE A 35 1.324 1.384 -0.999 1.00 0.00 C ATOM 505 CD1 ILE A 35 -1.294 2.855 -1.830 1.00 0.00 C ATOM 0 H ILE A 35 -0.950 -1.347 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 35 1.532 0.219 -3.494 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.521 0.341 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.306 2.510 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.089 1.479 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.901 2.135 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.769 0.583 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.091 1.844 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.746 3.620 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.078 2.284 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.662 3.331 -1.080 1.00 0.00 H new ATOM 517 N ILE A 36 2.797 -1.467 -2.190 1.00 0.00 N ATOM 518 CA ILE A 36 3.572 -2.464 -1.460 1.00 0.00 C ATOM 519 C ILE A 36 3.900 -1.981 -0.052 1.00 0.00 C ATOM 520 O ILE A 36 4.823 -1.190 0.146 1.00 0.00 O ATOM 521 CB ILE A 36 4.882 -2.806 -2.193 1.00 0.00 C ATOM 522 CG1 ILE A 36 4.588 -3.608 -3.462 1.00 0.00 C ATOM 523 CG2 ILE A 36 5.816 -3.580 -1.275 1.00 0.00 C ATOM 524 CD1 ILE A 36 3.316 -3.186 -4.163 1.00 0.00 C ATOM 0 H ILE A 36 3.344 -0.896 -2.834 1.00 0.00 H new ATOM 0 HA ILE A 36 2.956 -3.361 -1.399 1.00 0.00 H new ATOM 0 HB ILE A 36 5.374 -1.876 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.426 -3.502 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.518 -4.665 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.738 -3.814 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.047 -2.976 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.333 -4.505 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.172 -3.797 -5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.469 -3.319 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.390 -2.137 -4.451 1.00 0.00 H new ATOM 536 N VAL A 37 3.141 -2.464 0.926 1.00 0.00 N ATOM 537 CA VAL A 37 3.354 -2.085 2.318 1.00 0.00 C ATOM 538 C VAL A 37 4.699 -2.591 2.826 1.00 0.00 C ATOM 539 O VAL A 37 5.009 -3.778 2.722 1.00 0.00 O ATOM 540 CB VAL A 37 2.236 -2.632 3.226 1.00 0.00 C ATOM 541 CG1 VAL A 37 2.379 -2.084 4.638 1.00 0.00 C ATOM 542 CG2 VAL A 37 0.870 -2.294 2.650 1.00 0.00 C ATOM 0 H VAL A 37 2.373 -3.119 0.780 1.00 0.00 H new ATOM 0 HA VAL A 37 3.342 -0.996 2.355 1.00 0.00 H new ATOM 0 HB VAL A 37 2.327 -3.717 3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.581 -2.481 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.344 -2.381 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.315 -0.996 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.092 -2.688 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.765 -1.212 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.772 -2.740 1.660 1.00 0.00 H new ATOM 552 N THR A 38 5.497 -1.681 3.378 1.00 0.00 N ATOM 553 CA THR A 38 6.810 -2.035 3.903 1.00 0.00 C ATOM 554 C THR A 38 6.945 -1.629 5.366 1.00 0.00 C ATOM 555 O THR A 38 7.514 -2.362 6.174 1.00 0.00 O ATOM 556 CB THR A 38 7.937 -1.367 3.092 1.00 0.00 C ATOM 557 OG1 THR A 38 7.765 0.054 3.091 1.00 0.00 O ATOM 558 CG2 THR A 38 7.950 -1.882 1.660 1.00 0.00 C ATOM 0 H THR A 38 5.257 -0.694 3.473 1.00 0.00 H new ATOM 0 HA THR A 38 6.903 -3.118 3.819 1.00 0.00 H new ATOM 0 HB THR A 38 8.889 -1.616 3.561 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.486 0.470 2.575 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.754 -1.397 1.106 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.111 -2.960 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.995 -1.659 1.184 1.00 0.00 H new ATOM 566 N GLY A 39 6.416 -0.457 5.703 1.00 0.00 N ATOM 567 CA GLY A 39 6.488 0.025 7.069 1.00 0.00 C ATOM 568 C GLY A 39 5.153 0.533 7.576 1.00 0.00 C ATOM 569 O GLY A 39 4.798 1.690 7.355 1.00 0.00 O ATOM 0 H GLY A 39 5.938 0.168 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.837 -0.779 7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.225 0.826 7.130 1.00 0.00 H new ATOM 573 N GLU A 40 4.409 -0.335 8.255 1.00 0.00 N ATOM 574 CA GLU A 40 3.104 0.034 8.792 1.00 0.00 C ATOM 575 C GLU A 40 3.246 1.059 9.912 1.00 0.00 C ATOM 576 O GLU A 40 3.408 0.701 11.078 1.00 0.00 O ATOM 577 CB GLU A 40 2.374 -1.207 9.310 1.00 0.00 C ATOM 578 CG GLU A 40 1.866 -2.120 8.207 1.00 0.00 C ATOM 579 CD GLU A 40 2.895 -3.150 7.782 1.00 0.00 C ATOM 580 OE1 GLU A 40 4.024 -2.749 7.432 1.00 0.00 O ATOM 581 OE2 GLU A 40 2.572 -4.355 7.800 1.00 0.00 O ATOM 0 H GLU A 40 4.687 -1.298 8.446 1.00 0.00 H new ATOM 0 HA GLU A 40 2.521 0.481 7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.047 -1.771 9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.532 -0.892 9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.966 -2.631 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.582 -1.518 7.344 1.00 0.00 H new ATOM 588 N GLU A 41 3.183 2.336 9.548 1.00 0.00 N ATOM 589 CA GLU A 41 3.307 3.414 10.522 1.00 0.00 C ATOM 590 C GLU A 41 2.409 3.162 11.730 1.00 0.00 C ATOM 591 O GLU A 41 2.855 3.234 12.875 1.00 0.00 O ATOM 592 CB GLU A 41 2.949 4.756 9.879 1.00 0.00 C ATOM 593 CG GLU A 41 3.677 5.939 10.495 1.00 0.00 C ATOM 594 CD GLU A 41 3.458 7.225 9.721 1.00 0.00 C ATOM 595 OE1 GLU A 41 3.380 7.162 8.478 1.00 0.00 O ATOM 596 OE2 GLU A 41 3.367 8.294 10.361 1.00 0.00 O ATOM 0 H GLU A 41 3.047 2.649 8.587 1.00 0.00 H new ATOM 0 HA GLU A 41 4.343 3.446 10.860 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.180 4.712 8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.874 4.916 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.338 6.075 11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.744 5.722 10.538 1.00 0.00 H new ATOM 603 N ASP A 42 1.141 2.865 11.466 1.00 0.00 N ATOM 604 CA ASP A 42 0.179 2.601 12.529 1.00 0.00 C ATOM 605 C ASP A 42 -0.946 1.698 12.033 1.00 0.00 C ATOM 606 O ASP A 42 -0.947 1.268 10.879 1.00 0.00 O ATOM 607 CB ASP A 42 -0.400 3.913 13.060 1.00 0.00 C ATOM 608 CG ASP A 42 0.666 4.968 13.281 1.00 0.00 C ATOM 609 OD1 ASP A 42 1.053 5.636 12.298 1.00 0.00 O ATOM 610 OD2 ASP A 42 1.115 5.127 14.435 1.00 0.00 O ATOM 0 H ASP A 42 0.756 2.801 10.524 1.00 0.00 H new ATOM 0 HA ASP A 42 0.701 2.090 13.338 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.141 4.291 12.356 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.920 3.724 13.999 1.00 0.00 H new ATOM 615 N GLN A 43 -1.902 1.415 12.912 1.00 0.00 N ATOM 616 CA GLN A 43 -3.032 0.562 12.561 1.00 0.00 C ATOM 617 C GLN A 43 -4.029 1.312 11.686 1.00 0.00 C ATOM 618 O GLN A 43 -4.996 0.730 11.192 1.00 0.00 O ATOM 619 CB GLN A 43 -3.726 0.055 13.827 1.00 0.00 C ATOM 620 CG GLN A 43 -2.864 -0.880 14.660 1.00 0.00 C ATOM 621 CD GLN A 43 -3.260 -0.890 16.124 1.00 0.00 C ATOM 622 OE1 GLN A 43 -3.048 0.089 16.842 1.00 0.00 O ATOM 623 NE2 GLN A 43 -3.838 -1.996 16.575 1.00 0.00 N ATOM 0 H GLN A 43 -1.917 1.763 13.871 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.652 -0.290 11.997 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -4.017 0.909 14.439 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -4.643 -0.463 13.546 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.940 -1.891 14.260 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.820 -0.580 14.572 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.994 -2.783 15.945 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.126 -2.059 17.551 1.00 0.00 H new ATOM 632 N GLU A 44 -3.789 2.605 11.498 1.00 0.00 N ATOM 633 CA GLU A 44 -4.669 3.434 10.682 1.00 0.00 C ATOM 634 C GLU A 44 -3.968 3.870 9.398 1.00 0.00 C ATOM 635 O GLU A 44 -4.585 3.938 8.335 1.00 0.00 O ATOM 636 CB GLU A 44 -5.123 4.664 11.471 1.00 0.00 C ATOM 637 CG GLU A 44 -6.074 4.339 12.610 1.00 0.00 C ATOM 638 CD GLU A 44 -7.317 3.607 12.143 1.00 0.00 C ATOM 639 OE1 GLU A 44 -8.199 4.259 11.546 1.00 0.00 O ATOM 640 OE2 GLU A 44 -7.407 2.383 12.373 1.00 0.00 O ATOM 0 H GLU A 44 -2.993 3.102 11.899 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.543 2.840 10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.246 5.171 11.874 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.610 5.363 10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.554 3.729 13.349 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.367 5.263 13.108 1.00 0.00 H new ATOM 647 N TRP A 45 -2.678 4.165 9.506 1.00 0.00 N ATOM 648 CA TRP A 45 -1.894 4.595 8.354 1.00 0.00 C ATOM 649 C TRP A 45 -0.740 3.634 8.091 1.00 0.00 C ATOM 650 O TRP A 45 -0.017 3.252 9.010 1.00 0.00 O ATOM 651 CB TRP A 45 -1.354 6.009 8.577 1.00 0.00 C ATOM 652 CG TRP A 45 -2.433 7.038 8.737 1.00 0.00 C ATOM 653 CD1 TRP A 45 -3.317 7.145 9.771 1.00 0.00 C ATOM 654 CD2 TRP A 45 -2.740 8.105 7.832 1.00 0.00 C ATOM 655 NE1 TRP A 45 -4.156 8.212 9.564 1.00 0.00 N ATOM 656 CE2 TRP A 45 -3.822 8.819 8.383 1.00 0.00 C ATOM 657 CE3 TRP A 45 -2.204 8.527 6.613 1.00 0.00 C ATOM 658 CZ2 TRP A 45 -4.378 9.929 7.753 1.00 0.00 C ATOM 659 CZ3 TRP A 45 -2.757 9.630 5.990 1.00 0.00 C ATOM 660 CH2 TRP A 45 -3.834 10.321 6.560 1.00 0.00 C ATOM 0 H TRP A 45 -2.153 4.114 10.379 1.00 0.00 H new ATOM 0 HA TRP A 45 -2.548 4.596 7.482 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.723 6.013 9.466 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.720 6.285 7.734 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.352 6.487 10.627 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -4.907 8.505 10.189 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.373 8.001 6.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -5.209 10.462 8.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.351 9.965 5.047 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -4.243 11.180 6.048 1.00 0.00 H new ATOM 671 N TRP A 46 -0.576 3.246 6.831 1.00 0.00 N ATOM 672 CA TRP A 46 0.491 2.328 6.448 1.00 0.00 C ATOM 673 C TRP A 46 1.433 2.978 5.439 1.00 0.00 C ATOM 674 O TRP A 46 1.100 3.998 4.835 1.00 0.00 O ATOM 675 CB TRP A 46 -0.098 1.045 5.860 1.00 0.00 C ATOM 676 CG TRP A 46 -0.736 0.159 6.888 1.00 0.00 C ATOM 677 CD1 TRP A 46 -0.636 0.275 8.245 1.00 0.00 C ATOM 678 CD2 TRP A 46 -1.570 -0.979 6.640 1.00 0.00 C ATOM 679 NE1 TRP A 46 -1.357 -0.723 8.856 1.00 0.00 N ATOM 680 CE2 TRP A 46 -1.940 -1.504 7.894 1.00 0.00 C ATOM 681 CE3 TRP A 46 -2.042 -1.603 5.483 1.00 0.00 C ATOM 682 CZ2 TRP A 46 -2.758 -2.624 8.019 1.00 0.00 C ATOM 683 CZ3 TRP A 46 -2.852 -2.714 5.609 1.00 0.00 C ATOM 684 CH2 TRP A 46 -3.205 -3.215 6.870 1.00 0.00 C ATOM 0 H TRP A 46 -1.167 3.552 6.058 1.00 0.00 H new ATOM 0 HA TRP A 46 1.062 2.081 7.343 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.840 1.307 5.105 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.691 0.491 5.352 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.073 1.038 8.762 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.444 -0.860 9.863 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.778 -1.223 4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.030 -3.012 8.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.220 -3.206 4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.842 -4.085 6.935 1.00 0.00 H new ATOM 695 N ILE A 47 2.606 2.380 5.263 1.00 0.00 N ATOM 696 CA ILE A 47 3.594 2.901 4.327 1.00 0.00 C ATOM 697 C ILE A 47 3.966 1.855 3.282 1.00 0.00 C ATOM 698 O ILE A 47 4.091 0.671 3.590 1.00 0.00 O ATOM 699 CB ILE A 47 4.872 3.362 5.053 1.00 0.00 C ATOM 700 CG1 ILE A 47 4.511 4.139 6.321 1.00 0.00 C ATOM 701 CG2 ILE A 47 5.729 4.213 4.129 1.00 0.00 C ATOM 702 CD1 ILE A 47 5.686 4.364 7.247 1.00 0.00 C ATOM 0 H ILE A 47 2.895 1.535 5.756 1.00 0.00 H new ATOM 0 HA ILE A 47 3.138 3.759 3.833 1.00 0.00 H new ATOM 0 HB ILE A 47 5.447 2.482 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.091 5.104 6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.733 3.598 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.628 4.531 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.010 3.629 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.164 5.090 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.356 4.921 8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.093 3.402 7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.457 4.932 6.726 1.00 0.00 H new ATOM 714 N GLY A 48 4.144 2.302 2.042 1.00 0.00 N ATOM 715 CA GLY A 48 4.502 1.391 0.969 1.00 0.00 C ATOM 716 C GLY A 48 4.866 2.118 -0.311 1.00 0.00 C ATOM 717 O GLY A 48 4.864 3.348 -0.357 1.00 0.00 O ATOM 0 H GLY A 48 4.047 3.278 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.344 0.775 1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.668 0.716 0.776 1.00 0.00 H new ATOM 721 N HIS A 49 5.180 1.355 -1.353 1.00 0.00 N ATOM 722 CA HIS A 49 5.549 1.934 -2.640 1.00 0.00 C ATOM 723 C HIS A 49 4.729 1.316 -3.768 1.00 0.00 C ATOM 724 O HIS A 49 4.473 0.111 -3.775 1.00 0.00 O ATOM 725 CB HIS A 49 7.040 1.730 -2.907 1.00 0.00 C ATOM 726 CG HIS A 49 7.495 0.317 -2.711 1.00 0.00 C ATOM 727 ND1 HIS A 49 7.229 -0.692 -3.613 1.00 0.00 N ATOM 728 CD2 HIS A 49 8.205 -0.254 -1.709 1.00 0.00 C ATOM 729 CE1 HIS A 49 7.753 -1.822 -3.173 1.00 0.00 C ATOM 730 NE2 HIS A 49 8.352 -1.583 -2.021 1.00 0.00 N ATOM 0 H HIS A 49 5.186 0.335 -1.332 1.00 0.00 H new ATOM 0 HA HIS A 49 5.338 3.003 -2.604 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.263 2.037 -3.929 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.612 2.382 -2.247 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.585 0.243 -0.829 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.700 -2.779 -3.671 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.844 -2.274 -1.455 1.00 0.00 H new ATOM 739 N ILE A 50 4.319 2.147 -4.721 1.00 0.00 N ATOM 740 CA ILE A 50 3.529 1.682 -5.853 1.00 0.00 C ATOM 741 C ILE A 50 4.200 0.499 -6.543 1.00 0.00 C ATOM 742 O ILE A 50 5.315 0.615 -7.050 1.00 0.00 O ATOM 743 CB ILE A 50 3.307 2.804 -6.885 1.00 0.00 C ATOM 744 CG1 ILE A 50 2.577 3.983 -6.239 1.00 0.00 C ATOM 745 CG2 ILE A 50 2.524 2.280 -8.078 1.00 0.00 C ATOM 746 CD1 ILE A 50 1.218 3.620 -5.682 1.00 0.00 C ATOM 0 H ILE A 50 4.522 3.147 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 50 2.564 1.369 -5.455 1.00 0.00 H new ATOM 0 HB ILE A 50 4.279 3.150 -7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.194 4.386 -5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.458 4.775 -6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.376 3.085 -8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.079 1.469 -8.550 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.555 1.910 -7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.758 4.504 -5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.584 3.245 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.331 2.850 -4.919 1.00 0.00 H new ATOM 758 N GLU A 51 3.512 -0.638 -6.559 1.00 0.00 N ATOM 759 CA GLU A 51 4.042 -1.842 -7.187 1.00 0.00 C ATOM 760 C GLU A 51 4.854 -1.494 -8.431 1.00 0.00 C ATOM 761 O GLU A 51 4.421 -0.702 -9.267 1.00 0.00 O ATOM 762 CB GLU A 51 2.903 -2.795 -7.558 1.00 0.00 C ATOM 763 CG GLU A 51 3.362 -4.218 -7.826 1.00 0.00 C ATOM 764 CD GLU A 51 3.723 -4.451 -9.280 1.00 0.00 C ATOM 765 OE1 GLU A 51 2.795 -4.584 -10.106 1.00 0.00 O ATOM 766 OE2 GLU A 51 4.931 -4.501 -9.592 1.00 0.00 O ATOM 0 H GLU A 51 2.587 -0.750 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 51 4.699 -2.335 -6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.171 -2.805 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.395 -2.413 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.227 -4.441 -7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.572 -4.911 -7.536 1.00 0.00 H new ATOM 773 N GLY A 52 6.036 -2.094 -8.546 1.00 0.00 N ATOM 774 CA GLY A 52 6.890 -1.835 -9.690 1.00 0.00 C ATOM 775 C GLY A 52 7.668 -0.540 -9.551 1.00 0.00 C ATOM 776 O GLY A 52 8.832 -0.464 -9.943 1.00 0.00 O ATOM 0 H GLY A 52 6.416 -2.754 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.588 -2.663 -9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.281 -1.794 -10.593 1.00 0.00 H new ATOM 780 N GLN A 53 7.023 0.479 -8.994 1.00 0.00 N ATOM 781 CA GLN A 53 7.662 1.777 -8.807 1.00 0.00 C ATOM 782 C GLN A 53 7.996 2.012 -7.339 1.00 0.00 C ATOM 783 O GLN A 53 7.225 2.614 -6.590 1.00 0.00 O ATOM 784 CB GLN A 53 6.754 2.895 -9.322 1.00 0.00 C ATOM 785 CG GLN A 53 6.848 3.112 -10.823 1.00 0.00 C ATOM 786 CD GLN A 53 5.593 3.737 -11.402 1.00 0.00 C ATOM 787 OE1 GLN A 53 4.902 3.127 -12.218 1.00 0.00 O ATOM 788 NE2 GLN A 53 5.293 4.960 -10.982 1.00 0.00 N ATOM 0 H GLN A 53 6.059 0.432 -8.664 1.00 0.00 H new ATOM 0 HA GLN A 53 8.591 1.782 -9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.722 2.663 -9.061 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.010 3.824 -8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.702 3.753 -11.041 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.033 2.156 -11.314 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.894 5.428 -10.304 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.461 5.431 -11.337 1.00 0.00 H new ATOM 797 N PRO A 54 9.172 1.527 -6.913 1.00 0.00 N ATOM 798 CA PRO A 54 9.635 1.673 -5.529 1.00 0.00 C ATOM 799 C PRO A 54 9.995 3.115 -5.188 1.00 0.00 C ATOM 800 O PRO A 54 9.845 3.547 -4.046 1.00 0.00 O ATOM 801 CB PRO A 54 10.879 0.785 -5.476 1.00 0.00 C ATOM 802 CG PRO A 54 11.367 0.731 -6.883 1.00 0.00 C ATOM 803 CD PRO A 54 10.140 0.799 -7.750 1.00 0.00 C ATOM 0 HA PRO A 54 8.865 1.394 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.635 1.202 -4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.639 -0.210 -5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.041 1.561 -7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.925 -0.187 -7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.337 1.323 -8.685 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.777 -0.195 -8.012 1.00 0.00 H new ATOM 811 N GLU A 55 10.469 3.854 -6.186 1.00 0.00 N ATOM 812 CA GLU A 55 10.850 5.248 -5.989 1.00 0.00 C ATOM 813 C GLU A 55 9.746 6.018 -5.271 1.00 0.00 C ATOM 814 O GLU A 55 10.017 6.851 -4.406 1.00 0.00 O ATOM 815 CB GLU A 55 11.157 5.910 -7.334 1.00 0.00 C ATOM 816 CG GLU A 55 10.060 5.725 -8.368 1.00 0.00 C ATOM 817 CD GLU A 55 10.485 6.168 -9.755 1.00 0.00 C ATOM 818 OE1 GLU A 55 11.140 5.370 -10.457 1.00 0.00 O ATOM 819 OE2 GLU A 55 10.163 7.313 -10.138 1.00 0.00 O ATOM 0 H GLU A 55 10.598 3.511 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 55 11.746 5.269 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.319 6.976 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.088 5.501 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.769 4.675 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.180 6.291 -8.064 1.00 0.00 H new ATOM 826 N ARG A 56 8.500 5.733 -5.637 1.00 0.00 N ATOM 827 CA ARG A 56 7.354 6.399 -5.030 1.00 0.00 C ATOM 828 C ARG A 56 6.920 5.681 -3.755 1.00 0.00 C ATOM 829 O ARG A 56 6.342 4.595 -3.807 1.00 0.00 O ATOM 830 CB ARG A 56 6.188 6.456 -6.018 1.00 0.00 C ATOM 831 CG ARG A 56 6.439 7.375 -7.204 1.00 0.00 C ATOM 832 CD ARG A 56 5.302 7.306 -8.211 1.00 0.00 C ATOM 833 NE ARG A 56 4.182 8.163 -7.831 1.00 0.00 N ATOM 834 CZ ARG A 56 4.137 9.467 -8.080 1.00 0.00 C ATOM 835 NH1 ARG A 56 5.143 10.061 -8.706 1.00 0.00 N ATOM 836 NH2 ARG A 56 3.083 10.179 -7.703 1.00 0.00 N ATOM 0 H ARG A 56 8.259 5.045 -6.351 1.00 0.00 H new ATOM 0 HA ARG A 56 7.652 7.415 -4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.984 5.450 -6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.294 6.791 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.554 8.401 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.374 7.097 -7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.669 7.603 -9.193 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.957 6.276 -8.298 1.00 0.00 H new ATOM 0 HE ARG A 56 3.391 7.737 -7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.955 9.517 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.105 11.062 -8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.307 9.725 -7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.049 11.180 -7.894 1.00 0.00 H new ATOM 850 N LYS A 57 7.203 6.295 -2.612 1.00 0.00 N ATOM 851 CA LYS A 57 6.842 5.716 -1.322 1.00 0.00 C ATOM 852 C LYS A 57 6.397 6.799 -0.346 1.00 0.00 C ATOM 853 O LYS A 57 7.155 7.715 -0.030 1.00 0.00 O ATOM 854 CB LYS A 57 8.026 4.943 -0.738 1.00 0.00 C ATOM 855 CG LYS A 57 9.244 5.809 -0.466 1.00 0.00 C ATOM 856 CD LYS A 57 10.516 4.980 -0.407 1.00 0.00 C ATOM 857 CE LYS A 57 11.756 5.853 -0.523 1.00 0.00 C ATOM 858 NZ LYS A 57 12.982 5.136 -0.074 1.00 0.00 N ATOM 0 H LYS A 57 7.681 7.194 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 57 6.010 5.029 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.715 4.466 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.304 4.146 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.337 6.564 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.111 6.340 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.547 4.425 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.510 4.245 -1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.880 6.172 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.623 6.755 0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.806 5.764 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.874 4.853 0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.123 4.289 -0.661 1.00 0.00 H new ATOM 872 N GLY A 58 5.161 6.686 0.133 1.00 0.00 N ATOM 873 CA GLY A 58 4.636 7.662 1.071 1.00 0.00 C ATOM 874 C GLY A 58 3.474 7.122 1.880 1.00 0.00 C ATOM 875 O GLY A 58 2.655 6.358 1.370 1.00 0.00 O ATOM 0 H GLY A 58 4.514 5.936 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.431 7.975 1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.314 8.549 0.525 1.00 0.00 H new ATOM 879 N VAL A 59 3.402 7.519 3.147 1.00 0.00 N ATOM 880 CA VAL A 59 2.332 7.069 4.029 1.00 0.00 C ATOM 881 C VAL A 59 0.966 7.275 3.385 1.00 0.00 C ATOM 882 O VAL A 59 0.749 8.247 2.662 1.00 0.00 O ATOM 883 CB VAL A 59 2.369 7.810 5.379 1.00 0.00 C ATOM 884 CG1 VAL A 59 2.188 9.306 5.172 1.00 0.00 C ATOM 885 CG2 VAL A 59 1.304 7.261 6.317 1.00 0.00 C ATOM 0 H VAL A 59 4.072 8.151 3.585 1.00 0.00 H new ATOM 0 HA VAL A 59 2.491 6.005 4.203 1.00 0.00 H new ATOM 0 HB VAL A 59 3.344 7.646 5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.217 9.813 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.990 9.685 4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.227 9.493 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.344 7.796 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.320 7.393 5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.484 6.200 6.491 1.00 0.00 H new ATOM 895 N PHE A 60 0.047 6.353 3.653 1.00 0.00 N ATOM 896 CA PHE A 60 -1.299 6.433 3.100 1.00 0.00 C ATOM 897 C PHE A 60 -2.325 5.872 4.080 1.00 0.00 C ATOM 898 O PHE A 60 -2.038 4.974 4.871 1.00 0.00 O ATOM 899 CB PHE A 60 -1.375 5.673 1.774 1.00 0.00 C ATOM 900 CG PHE A 60 -0.945 4.237 1.881 1.00 0.00 C ATOM 901 CD1 PHE A 60 0.394 3.893 1.800 1.00 0.00 C ATOM 902 CD2 PHE A 60 -1.881 3.232 2.064 1.00 0.00 C ATOM 903 CE1 PHE A 60 0.793 2.574 1.898 1.00 0.00 C ATOM 904 CE2 PHE A 60 -1.489 1.910 2.162 1.00 0.00 C ATOM 905 CZ PHE A 60 -0.150 1.581 2.081 1.00 0.00 C ATOM 0 H PHE A 60 0.210 5.542 4.250 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.529 7.484 2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.398 5.711 1.401 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.749 6.178 1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.135 4.665 1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.929 3.484 2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.840 2.319 1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.229 1.136 2.302 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.159 0.549 2.161 1.00 0.00 H new ATOM 915 N PRO A 61 -3.551 6.414 4.027 1.00 0.00 N ATOM 916 CA PRO A 61 -4.645 5.982 4.903 1.00 0.00 C ATOM 917 C PRO A 61 -5.142 4.581 4.564 1.00 0.00 C ATOM 918 O PRO A 61 -5.388 4.264 3.400 1.00 0.00 O ATOM 919 CB PRO A 61 -5.741 7.018 4.638 1.00 0.00 C ATOM 920 CG PRO A 61 -5.460 7.524 3.265 1.00 0.00 C ATOM 921 CD PRO A 61 -3.964 7.487 3.108 1.00 0.00 C ATOM 0 HA PRO A 61 -4.334 5.927 5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.733 6.570 4.699 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.710 7.824 5.371 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.947 6.903 2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.841 8.537 3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.673 7.270 2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.508 8.441 3.373 1.00 0.00 H new ATOM 929 N VAL A 62 -5.289 3.746 5.587 1.00 0.00 N ATOM 930 CA VAL A 62 -5.758 2.379 5.397 1.00 0.00 C ATOM 931 C VAL A 62 -7.256 2.348 5.109 1.00 0.00 C ATOM 932 O VAL A 62 -7.816 1.296 4.802 1.00 0.00 O ATOM 933 CB VAL A 62 -5.468 1.509 6.634 1.00 0.00 C ATOM 934 CG1 VAL A 62 -6.063 0.120 6.462 1.00 0.00 C ATOM 935 CG2 VAL A 62 -3.970 1.429 6.888 1.00 0.00 C ATOM 0 H VAL A 62 -5.090 3.992 6.557 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.217 1.974 4.542 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.937 1.973 7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.848 -0.480 7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.142 0.200 6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.626 -0.357 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.782 0.811 7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.477 0.988 6.021 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.576 2.431 7.059 1.00 0.00 H new ATOM 945 N SER A 63 -7.896 3.508 5.207 1.00 0.00 N ATOM 946 CA SER A 63 -9.329 3.613 4.959 1.00 0.00 C ATOM 947 C SER A 63 -9.608 3.861 3.480 1.00 0.00 C ATOM 948 O SER A 63 -10.761 3.873 3.047 1.00 0.00 O ATOM 949 CB SER A 63 -9.932 4.740 5.800 1.00 0.00 C ATOM 950 OG SER A 63 -10.210 4.302 7.118 1.00 0.00 O ATOM 0 H SER A 63 -7.445 4.388 5.456 1.00 0.00 H new ATOM 0 HA SER A 63 -9.792 2.669 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.242 5.583 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.849 5.097 5.331 1.00 0.00 H new ATOM 0 HG SER A 63 -10.593 5.042 7.635 1.00 0.00 H new ATOM 956 N PHE A 64 -8.544 4.058 2.709 1.00 0.00 N ATOM 957 CA PHE A 64 -8.672 4.307 1.278 1.00 0.00 C ATOM 958 C PHE A 64 -8.228 3.089 0.472 1.00 0.00 C ATOM 959 O PHE A 64 -8.439 3.023 -0.739 1.00 0.00 O ATOM 960 CB PHE A 64 -7.845 5.529 0.875 1.00 0.00 C ATOM 961 CG PHE A 64 -8.496 6.836 1.224 1.00 0.00 C ATOM 962 CD1 PHE A 64 -9.102 7.016 2.458 1.00 0.00 C ATOM 963 CD2 PHE A 64 -8.503 7.886 0.319 1.00 0.00 C ATOM 964 CE1 PHE A 64 -9.703 8.217 2.781 1.00 0.00 C ATOM 965 CE2 PHE A 64 -9.103 9.090 0.637 1.00 0.00 C ATOM 966 CZ PHE A 64 -9.702 9.256 1.870 1.00 0.00 C ATOM 0 H PHE A 64 -7.583 4.050 3.051 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.722 4.501 1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.872 5.476 1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.665 5.498 -0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.104 6.208 3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.034 7.762 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.173 8.344 3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.103 9.900 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.169 10.197 2.122 1.00 0.00 H new ATOM 976 N VAL A 65 -7.611 2.130 1.154 1.00 0.00 N ATOM 977 CA VAL A 65 -7.137 0.914 0.503 1.00 0.00 C ATOM 978 C VAL A 65 -7.758 -0.326 1.136 1.00 0.00 C ATOM 979 O VAL A 65 -8.265 -0.277 2.257 1.00 0.00 O ATOM 980 CB VAL A 65 -5.603 0.800 0.576 1.00 0.00 C ATOM 981 CG1 VAL A 65 -4.948 2.073 0.060 1.00 0.00 C ATOM 982 CG2 VAL A 65 -5.158 0.501 1.999 1.00 0.00 C ATOM 0 H VAL A 65 -7.428 2.171 2.157 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.440 0.976 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.287 -0.027 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.864 1.974 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.241 2.239 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.269 2.919 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.071 0.424 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.485 1.305 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.599 -0.440 2.328 1.00 0.00 H new ATOM 992 N HIS A 66 -7.716 -1.439 0.410 1.00 0.00 N ATOM 993 CA HIS A 66 -8.274 -2.694 0.901 1.00 0.00 C ATOM 994 C HIS A 66 -7.329 -3.857 0.616 1.00 0.00 C ATOM 995 O HIS A 66 -7.015 -4.145 -0.540 1.00 0.00 O ATOM 996 CB HIS A 66 -9.635 -2.959 0.256 1.00 0.00 C ATOM 997 CG HIS A 66 -9.546 -3.644 -1.072 1.00 0.00 C ATOM 998 ND1 HIS A 66 -8.850 -3.325 -2.188 1.00 0.00 N flip ATOM 999 CD2 HIS A 66 -10.228 -4.806 -1.367 1.00 0.00 C flip ATOM 1000 CE1 HIS A 66 -9.121 -4.290 -3.127 1.00 0.00 C flip ATOM 1001 NE2 HIS A 66 -9.954 -5.173 -2.606 1.00 0.00 N flip ATOM 0 H HIS A 66 -7.301 -1.497 -0.520 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.402 -2.608 1.980 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.235 -3.570 0.931 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.160 -2.012 0.132 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.884 -5.334 -0.690 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.718 -4.322 -4.129 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.323 -5.998 -3.080 1.00 0.00 H new ATOM 1010 N ILE A 67 -6.878 -4.520 1.675 1.00 0.00 N ATOM 1011 CA ILE A 67 -5.970 -5.652 1.537 1.00 0.00 C ATOM 1012 C ILE A 67 -6.556 -6.720 0.621 1.00 0.00 C ATOM 1013 O ILE A 67 -7.643 -7.241 0.873 1.00 0.00 O ATOM 1014 CB ILE A 67 -5.647 -6.284 2.905 1.00 0.00 C ATOM 1015 CG1 ILE A 67 -4.990 -5.254 3.825 1.00 0.00 C ATOM 1016 CG2 ILE A 67 -4.744 -7.496 2.728 1.00 0.00 C ATOM 1017 CD1 ILE A 67 -4.738 -5.768 5.225 1.00 0.00 C ATOM 0 H ILE A 67 -7.126 -4.293 2.638 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.050 -5.267 1.097 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.578 -6.613 3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.043 -4.939 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.626 -4.370 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.525 -7.932 3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.246 -8.236 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.814 -7.190 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.270 -4.985 5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.684 -6.057 5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.077 -6.634 5.181 1.00 0.00 H new ATOM 1029 N LEU A 68 -5.829 -7.045 -0.442 1.00 0.00 N ATOM 1030 CA LEU A 68 -6.276 -8.053 -1.396 1.00 0.00 C ATOM 1031 C LEU A 68 -6.150 -9.454 -0.806 1.00 0.00 C ATOM 1032 O LEU A 68 -5.344 -9.690 0.094 1.00 0.00 O ATOM 1033 CB LEU A 68 -5.464 -7.957 -2.689 1.00 0.00 C ATOM 1034 CG LEU A 68 -5.376 -6.569 -3.325 1.00 0.00 C ATOM 1035 CD1 LEU A 68 -4.125 -6.453 -4.182 1.00 0.00 C ATOM 1036 CD2 LEU A 68 -6.620 -6.282 -4.152 1.00 0.00 C ATOM 0 H LEU A 68 -4.927 -6.625 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.326 -7.865 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.452 -8.306 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.897 -8.642 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.315 -5.828 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.079 -5.459 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.243 -6.614 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.155 -7.203 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.540 -5.290 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.712 -7.028 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.500 -6.322 -3.511 1.00 0.00 H new ATOM 1048 N SER A 69 -6.952 -10.381 -1.321 1.00 0.00 N ATOM 1049 CA SER A 69 -6.932 -11.759 -0.844 1.00 0.00 C ATOM 1050 C SER A 69 -5.949 -12.599 -1.653 1.00 0.00 C ATOM 1051 O SER A 69 -6.196 -13.776 -1.921 1.00 0.00 O ATOM 1052 CB SER A 69 -8.333 -12.370 -0.926 1.00 0.00 C ATOM 1053 OG SER A 69 -9.095 -12.056 0.226 1.00 0.00 O ATOM 0 H SER A 69 -7.623 -10.203 -2.068 1.00 0.00 H new ATOM 0 HA SER A 69 -6.607 -11.753 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.843 -12.000 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.256 -13.452 -1.031 1.00 0.00 H new ATOM 0 HG SER A 69 -9.986 -12.456 0.148 1.00 0.00 H new ATOM 1059 N ASP A 70 -4.836 -11.988 -2.039 1.00 0.00 N ATOM 1060 CA ASP A 70 -3.814 -12.679 -2.817 1.00 0.00 C ATOM 1061 C ASP A 70 -2.980 -13.594 -1.927 1.00 0.00 C ATOM 1062 O ASP A 70 -3.085 -13.550 -0.701 1.00 0.00 O ATOM 1063 CB ASP A 70 -2.908 -11.668 -3.522 1.00 0.00 C ATOM 1064 CG ASP A 70 -3.476 -11.208 -4.850 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -3.312 -11.939 -5.849 1.00 0.00 O ATOM 1066 OD2 ASP A 70 -4.084 -10.119 -4.890 1.00 0.00 O ATOM 0 H ASP A 70 -4.617 -11.015 -1.826 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.315 -13.290 -3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.760 -10.804 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.927 -12.115 -3.685 1.00 0.00 H new ATOM 1071 N SER A 71 -2.152 -14.425 -2.552 1.00 0.00 N ATOM 1072 CA SER A 71 -1.303 -15.356 -1.816 1.00 0.00 C ATOM 1073 C SER A 71 -0.050 -15.697 -2.618 1.00 0.00 C ATOM 1074 O SER A 71 -0.108 -15.885 -3.833 1.00 0.00 O ATOM 1075 CB SER A 71 -2.076 -16.633 -1.488 1.00 0.00 C ATOM 1076 OG SER A 71 -1.233 -17.600 -0.886 1.00 0.00 O ATOM 0 H SER A 71 -2.051 -14.473 -3.566 1.00 0.00 H new ATOM 0 HA SER A 71 -0.999 -14.876 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.903 -16.399 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.511 -17.043 -2.400 1.00 0.00 H new ATOM 0 HG SER A 71 -1.752 -18.406 -0.685 1.00 0.00 H new ATOM 1082 N GLY A 72 1.083 -15.777 -1.928 1.00 0.00 N ATOM 1083 CA GLY A 72 2.335 -16.096 -2.589 1.00 0.00 C ATOM 1084 C GLY A 72 2.807 -17.505 -2.289 1.00 0.00 C ATOM 1085 O GLY A 72 3.631 -17.730 -1.403 1.00 0.00 O ATOM 0 H GLY A 72 1.156 -15.626 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.214 -15.978 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.099 -15.385 -2.275 1.00 0.00 H new ATOM 1089 N PRO A 73 2.277 -18.483 -3.039 1.00 0.00 N ATOM 1090 CA PRO A 73 2.634 -19.894 -2.865 1.00 0.00 C ATOM 1091 C PRO A 73 4.060 -20.190 -3.314 1.00 0.00 C ATOM 1092 O PRO A 73 4.314 -20.424 -4.496 1.00 0.00 O ATOM 1093 CB PRO A 73 1.629 -20.626 -3.759 1.00 0.00 C ATOM 1094 CG PRO A 73 1.245 -19.625 -4.794 1.00 0.00 C ATOM 1095 CD PRO A 73 1.288 -18.286 -4.112 1.00 0.00 C ATOM 0 HA PRO A 73 2.596 -20.199 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.073 -21.513 -4.211 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.762 -20.959 -3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.933 -19.655 -5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.249 -19.831 -5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.591 -17.495 -4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.313 -18.006 -3.714 1.00 0.00 H new ATOM 1103 N SER A 74 4.989 -20.179 -2.363 1.00 0.00 N ATOM 1104 CA SER A 74 6.392 -20.443 -2.661 1.00 0.00 C ATOM 1105 C SER A 74 7.076 -21.136 -1.486 1.00 0.00 C ATOM 1106 O SER A 74 6.818 -20.815 -0.327 1.00 0.00 O ATOM 1107 CB SER A 74 7.119 -19.138 -2.992 1.00 0.00 C ATOM 1108 OG SER A 74 8.394 -19.394 -3.555 1.00 0.00 O ATOM 0 H SER A 74 4.795 -19.990 -1.380 1.00 0.00 H new ATOM 0 HA SER A 74 6.436 -21.105 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.521 -18.552 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.231 -18.540 -2.087 1.00 0.00 H new ATOM 0 HG SER A 74 8.838 -18.545 -3.759 1.00 0.00 H new ATOM 1114 N SER A 75 7.949 -22.089 -1.796 1.00 0.00 N ATOM 1115 CA SER A 75 8.668 -22.831 -0.768 1.00 0.00 C ATOM 1116 C SER A 75 9.666 -21.931 -0.046 1.00 0.00 C ATOM 1117 O SER A 75 10.392 -21.160 -0.673 1.00 0.00 O ATOM 1118 CB SER A 75 9.397 -24.025 -1.387 1.00 0.00 C ATOM 1119 OG SER A 75 10.396 -23.597 -2.297 1.00 0.00 O ATOM 0 H SER A 75 8.175 -22.365 -2.751 1.00 0.00 H new ATOM 0 HA SER A 75 7.941 -23.194 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.852 -24.626 -0.599 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.681 -24.665 -1.903 1.00 0.00 H new ATOM 0 HG SER A 75 10.848 -24.379 -2.678 1.00 0.00 H new ATOM 1125 N GLY A 76 9.694 -22.034 1.280 1.00 0.00 N ATOM 1126 CA GLY A 76 10.605 -21.224 2.067 1.00 0.00 C ATOM 1127 C GLY A 76 10.185 -19.768 2.125 1.00 0.00 C ATOM 1128 O GLY A 76 10.641 -19.017 2.986 1.00 0.00 O ATOM 0 H GLY A 76 9.102 -22.664 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.659 -21.624 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.607 -21.293 1.643 1.00 0.00 H new TER 1132 GLY A 76