USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 882 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 57 GLN : amide:sc= 0.88 K(o=-1.9,f=-4.5) USER MOD Set 1.2: A 77 ASN : amide:sc= -3.44! C(o=-1.9!,f=-3.9!) USER MOD Set 1.3: A 79 SER OG : rot -52:sc= 0.658 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.344 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 21 SER OG : rot 132:sc= 0.347 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00232 USER MOD Single : A 47 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00027 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -30:sc= -9.25! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -2.17 K(o=-2.2,f=-10!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.000714 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.56 K(o=-1.6,f=-7.3!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0979 X(o=-0.098,f=-0.6) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.203 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 114 SER OG : rot 180:sc= -0.051 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.399 4.895 4.191 1.00 0.00 N ATOM 2 CA GLY A 1 -31.604 4.380 3.089 1.00 0.00 C ATOM 3 C GLY A 1 -31.549 2.851 3.120 1.00 0.00 C ATOM 4 O GLY A 1 -31.282 2.257 4.163 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.421 5.934 4.148 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.369 4.525 4.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.977 4.595 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.029 4.713 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.594 4.785 3.144 1.00 0.00 H new ATOM 8 N SER A 2 -31.806 2.258 1.963 1.00 0.00 N ATOM 9 CA SER A 2 -31.789 0.810 1.844 1.00 0.00 C ATOM 10 C SER A 2 -31.546 0.407 0.389 1.00 0.00 C ATOM 11 O SER A 2 -32.234 0.881 -0.514 1.00 0.00 O ATOM 12 CB SER A 2 -33.097 0.200 2.352 1.00 0.00 C ATOM 13 OG SER A 2 -33.038 -0.108 3.742 1.00 0.00 O ATOM 0 H SER A 2 -32.027 2.754 1.100 1.00 0.00 H new ATOM 0 HA SER A 2 -30.977 0.426 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.916 0.895 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.317 -0.707 1.789 1.00 0.00 H new ATOM 0 HG SER A 2 -32.478 0.553 4.200 1.00 0.00 H new ATOM 19 N SER A 3 -30.564 -0.464 0.205 1.00 0.00 N ATOM 20 CA SER A 3 -30.222 -0.936 -1.125 1.00 0.00 C ATOM 21 C SER A 3 -29.724 0.230 -1.982 1.00 0.00 C ATOM 22 O SER A 3 -30.206 1.353 -1.849 1.00 0.00 O ATOM 23 CB SER A 3 -31.419 -1.613 -1.795 1.00 0.00 C ATOM 24 OG SER A 3 -31.023 -2.444 -2.883 1.00 0.00 O ATOM 0 H SER A 3 -29.995 -0.855 0.956 1.00 0.00 H new ATOM 0 HA SER A 3 -29.427 -1.676 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.956 -2.211 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.112 -0.852 -2.154 1.00 0.00 H new ATOM 0 HG SER A 3 -31.816 -2.859 -3.283 1.00 0.00 H new ATOM 30 N GLY A 4 -28.765 -0.077 -2.844 1.00 0.00 N ATOM 31 CA GLY A 4 -28.197 0.931 -3.722 1.00 0.00 C ATOM 32 C GLY A 4 -29.183 1.312 -4.828 1.00 0.00 C ATOM 33 O GLY A 4 -30.277 1.799 -4.549 1.00 0.00 O ATOM 0 H GLY A 4 -28.367 -1.010 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.934 1.816 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.275 0.555 -4.165 1.00 0.00 H new ATOM 37 N SER A 5 -28.759 1.077 -6.062 1.00 0.00 N ATOM 38 CA SER A 5 -29.590 1.390 -7.211 1.00 0.00 C ATOM 39 C SER A 5 -29.094 0.626 -8.440 1.00 0.00 C ATOM 40 O SER A 5 -29.840 -0.147 -9.038 1.00 0.00 O ATOM 41 CB SER A 5 -29.601 2.895 -7.490 1.00 0.00 C ATOM 42 OG SER A 5 -30.060 3.190 -8.806 1.00 0.00 O ATOM 0 H SER A 5 -27.850 0.673 -6.290 1.00 0.00 H new ATOM 0 HA SER A 5 -30.611 1.082 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.241 3.394 -6.762 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.596 3.296 -7.358 1.00 0.00 H new ATOM 0 HG SER A 5 -30.054 4.160 -8.945 1.00 0.00 H new ATOM 48 N SER A 6 -27.836 0.869 -8.780 1.00 0.00 N ATOM 49 CA SER A 6 -27.231 0.213 -9.926 1.00 0.00 C ATOM 50 C SER A 6 -25.739 -0.014 -9.673 1.00 0.00 C ATOM 51 O SER A 6 -25.137 0.666 -8.843 1.00 0.00 O ATOM 52 CB SER A 6 -27.434 1.034 -11.201 1.00 0.00 C ATOM 53 OG SER A 6 -27.094 2.405 -11.012 1.00 0.00 O ATOM 0 H SER A 6 -27.220 1.511 -8.282 1.00 0.00 H new ATOM 0 HA SER A 6 -27.720 -0.751 -10.065 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.824 0.616 -12.002 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.474 0.959 -11.519 1.00 0.00 H new ATOM 0 HG SER A 6 -27.235 2.895 -11.849 1.00 0.00 H new ATOM 59 N GLY A 7 -25.187 -0.973 -10.402 1.00 0.00 N ATOM 60 CA GLY A 7 -23.777 -1.298 -10.266 1.00 0.00 C ATOM 61 C GLY A 7 -23.551 -2.292 -9.125 1.00 0.00 C ATOM 62 O GLY A 7 -23.045 -1.923 -8.066 1.00 0.00 O ATOM 0 H GLY A 7 -25.690 -1.535 -11.088 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.406 -1.720 -11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.207 -0.388 -10.079 1.00 0.00 H new ATOM 66 N MET A 8 -23.938 -3.533 -9.379 1.00 0.00 N ATOM 67 CA MET A 8 -23.784 -4.583 -8.387 1.00 0.00 C ATOM 68 C MET A 8 -23.431 -5.916 -9.049 1.00 0.00 C ATOM 69 O MET A 8 -23.954 -6.242 -10.114 1.00 0.00 O ATOM 70 CB MET A 8 -25.085 -4.734 -7.596 1.00 0.00 C ATOM 71 CG MET A 8 -24.816 -4.720 -6.090 1.00 0.00 C ATOM 72 SD MET A 8 -26.195 -3.982 -5.231 1.00 0.00 S ATOM 73 CE MET A 8 -26.551 -5.271 -4.049 1.00 0.00 C ATOM 0 H MET A 8 -24.358 -3.835 -10.258 1.00 0.00 H new ATOM 0 HA MET A 8 -22.971 -4.306 -7.716 1.00 0.00 H new ATOM 0 HB2 MET A 8 -25.768 -3.925 -7.855 1.00 0.00 H new ATOM 0 HB3 MET A 8 -25.577 -5.667 -7.873 1.00 0.00 H new ATOM 0 HG2 MET A 8 -24.655 -5.737 -5.731 1.00 0.00 H new ATOM 0 HG3 MET A 8 -23.904 -4.160 -5.880 1.00 0.00 H new ATOM 0 HE1 MET A 8 -27.394 -4.971 -3.426 1.00 0.00 H new ATOM 0 HE2 MET A 8 -26.800 -6.191 -4.578 1.00 0.00 H new ATOM 0 HE3 MET A 8 -25.677 -5.439 -3.420 1.00 0.00 H new ATOM 83 N SER A 9 -22.546 -6.652 -8.392 1.00 0.00 N ATOM 84 CA SER A 9 -22.118 -7.942 -8.904 1.00 0.00 C ATOM 85 C SER A 9 -21.171 -8.613 -7.906 1.00 0.00 C ATOM 86 O SER A 9 -20.317 -7.953 -7.317 1.00 0.00 O ATOM 87 CB SER A 9 -21.437 -7.796 -10.266 1.00 0.00 C ATOM 88 OG SER A 9 -20.256 -7.002 -10.190 1.00 0.00 O ATOM 0 H SER A 9 -22.114 -6.379 -7.509 1.00 0.00 H new ATOM 0 HA SER A 9 -23.001 -8.568 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 9 -21.186 -8.783 -10.653 1.00 0.00 H new ATOM 0 HB3 SER A 9 -22.133 -7.344 -10.973 1.00 0.00 H new ATOM 0 HG SER A 9 -19.850 -6.934 -11.079 1.00 0.00 H new ATOM 94 N GLN A 10 -21.355 -9.915 -7.748 1.00 0.00 N ATOM 95 CA GLN A 10 -20.528 -10.682 -6.832 1.00 0.00 C ATOM 96 C GLN A 10 -19.887 -11.866 -7.560 1.00 0.00 C ATOM 97 O GLN A 10 -20.527 -12.898 -7.757 1.00 0.00 O ATOM 98 CB GLN A 10 -21.340 -11.155 -5.625 1.00 0.00 C ATOM 99 CG GLN A 10 -20.423 -11.526 -4.458 1.00 0.00 C ATOM 100 CD GLN A 10 -20.624 -10.572 -3.279 1.00 0.00 C ATOM 101 OE1 GLN A 10 -21.497 -10.748 -2.446 1.00 0.00 O ATOM 102 NE2 GLN A 10 -19.768 -9.554 -3.255 1.00 0.00 N ATOM 0 H GLN A 10 -22.065 -10.459 -8.239 1.00 0.00 H new ATOM 0 HA GLN A 10 -19.733 -10.034 -6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -22.029 -10.369 -5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -21.945 -12.017 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.627 -12.549 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -19.383 -11.494 -4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.060 -9.465 -3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -19.819 -8.862 -2.507 1.00 0.00 H new ATOM 111 N LEU A 11 -18.632 -11.677 -7.939 1.00 0.00 N ATOM 112 CA LEU A 11 -17.898 -12.716 -8.641 1.00 0.00 C ATOM 113 C LEU A 11 -17.391 -13.747 -7.630 1.00 0.00 C ATOM 114 O LEU A 11 -17.798 -14.907 -7.664 1.00 0.00 O ATOM 115 CB LEU A 11 -16.791 -12.102 -9.501 1.00 0.00 C ATOM 116 CG LEU A 11 -17.239 -11.473 -10.821 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.795 -10.012 -10.911 1.00 0.00 C ATOM 118 CD2 LEU A 11 -16.749 -12.295 -12.015 1.00 0.00 C ATOM 0 H LEU A 11 -18.105 -10.820 -7.773 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.553 -13.244 -9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.282 -11.339 -8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.057 -12.877 -9.721 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.329 -11.481 -10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.126 -9.589 -11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.234 -9.447 -10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.708 -9.958 -10.850 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.081 -11.826 -12.941 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.660 -12.342 -12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -17.156 -13.304 -11.953 1.00 0.00 H new ATOM 130 N GLY A 12 -16.509 -13.286 -6.755 1.00 0.00 N ATOM 131 CA GLY A 12 -15.942 -14.154 -5.736 1.00 0.00 C ATOM 132 C GLY A 12 -15.249 -13.338 -4.644 1.00 0.00 C ATOM 133 O GLY A 12 -15.703 -12.249 -4.296 1.00 0.00 O ATOM 0 H GLY A 12 -16.173 -12.323 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.729 -14.765 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.227 -14.838 -6.193 1.00 0.00 H new ATOM 137 N SER A 13 -14.161 -13.895 -4.133 1.00 0.00 N ATOM 138 CA SER A 13 -13.401 -13.232 -3.087 1.00 0.00 C ATOM 139 C SER A 13 -12.148 -12.585 -3.681 1.00 0.00 C ATOM 140 O SER A 13 -11.767 -11.485 -3.285 1.00 0.00 O ATOM 141 CB SER A 13 -13.017 -14.214 -1.979 1.00 0.00 C ATOM 142 OG SER A 13 -12.065 -13.656 -1.077 1.00 0.00 O ATOM 0 H SER A 13 -13.787 -14.798 -4.424 1.00 0.00 H new ATOM 0 HA SER A 13 -14.028 -12.457 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.911 -14.506 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.607 -15.120 -2.424 1.00 0.00 H new ATOM 0 HG SER A 13 -11.847 -14.313 -0.384 1.00 0.00 H new ATOM 148 N ARG A 14 -11.542 -13.296 -4.620 1.00 0.00 N ATOM 149 CA ARG A 14 -10.340 -12.805 -5.272 1.00 0.00 C ATOM 150 C ARG A 14 -9.311 -12.369 -4.228 1.00 0.00 C ATOM 151 O ARG A 14 -9.575 -12.429 -3.028 1.00 0.00 O ATOM 152 CB ARG A 14 -10.656 -11.624 -6.192 1.00 0.00 C ATOM 153 CG ARG A 14 -11.190 -12.108 -7.542 1.00 0.00 C ATOM 154 CD ARG A 14 -12.496 -11.396 -7.902 1.00 0.00 C ATOM 155 NE ARG A 14 -12.528 -11.100 -9.351 1.00 0.00 N ATOM 156 CZ ARG A 14 -12.554 -12.037 -10.309 1.00 0.00 C ATOM 157 NH1 ARG A 14 -12.553 -13.335 -9.977 1.00 0.00 N ATOM 158 NH2 ARG A 14 -12.582 -11.675 -11.599 1.00 0.00 N ATOM 0 H ARG A 14 -11.861 -14.209 -4.945 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.932 -13.618 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.392 -10.975 -5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.757 -11.027 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.446 -11.926 -8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.356 -13.185 -7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.347 -12.021 -7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -12.585 -10.471 -7.332 1.00 0.00 H new ATOM 0 HE ARG A 14 -12.530 -10.122 -9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -12.532 -13.610 -8.995 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.573 -14.048 -10.706 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.583 -10.687 -11.851 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.602 -12.388 -12.328 1.00 0.00 H new ATOM 172 N GLY A 15 -8.159 -11.939 -4.722 1.00 0.00 N ATOM 173 CA GLY A 15 -7.089 -11.492 -3.847 1.00 0.00 C ATOM 174 C GLY A 15 -7.381 -10.096 -3.293 1.00 0.00 C ATOM 175 O GLY A 15 -8.311 -9.428 -3.741 1.00 0.00 O ATOM 0 H GLY A 15 -7.943 -11.891 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.970 -12.196 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.147 -11.480 -4.395 1.00 0.00 H new ATOM 179 N ARG A 16 -6.568 -9.697 -2.325 1.00 0.00 N ATOM 180 CA ARG A 16 -6.727 -8.393 -1.705 1.00 0.00 C ATOM 181 C ARG A 16 -5.359 -7.776 -1.406 1.00 0.00 C ATOM 182 O ARG A 16 -4.503 -8.421 -0.802 1.00 0.00 O ATOM 183 CB ARG A 16 -7.528 -8.495 -0.405 1.00 0.00 C ATOM 184 CG ARG A 16 -8.701 -9.466 -0.558 1.00 0.00 C ATOM 185 CD ARG A 16 -9.867 -8.804 -1.296 1.00 0.00 C ATOM 186 NE ARG A 16 -11.126 -9.023 -0.550 1.00 0.00 N ATOM 187 CZ ARG A 16 -12.348 -8.885 -1.082 1.00 0.00 C ATOM 188 NH1 ARG A 16 -12.483 -8.529 -2.367 1.00 0.00 N ATOM 189 NH2 ARG A 16 -13.435 -9.104 -0.330 1.00 0.00 N ATOM 0 H ARG A 16 -5.798 -10.254 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.270 -7.758 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.877 -8.830 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.901 -7.510 -0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.376 -10.352 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.031 -9.801 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.680 -7.736 -1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.953 -9.217 -2.301 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.059 -9.296 0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.656 -8.363 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.413 -8.424 -2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.332 -9.376 0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.365 -8.999 -0.735 1.00 0.00 H new ATOM 203 N LEU A 17 -5.196 -6.536 -1.843 1.00 0.00 N ATOM 204 CA LEU A 17 -3.946 -5.826 -1.629 1.00 0.00 C ATOM 205 C LEU A 17 -3.917 -5.271 -0.204 1.00 0.00 C ATOM 206 O LEU A 17 -4.957 -4.915 0.349 1.00 0.00 O ATOM 207 CB LEU A 17 -3.745 -4.761 -2.709 1.00 0.00 C ATOM 208 CG LEU A 17 -3.546 -5.279 -4.134 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.316 -4.424 -5.142 1.00 0.00 C ATOM 210 CD2 LEU A 17 -2.059 -5.373 -4.481 1.00 0.00 C ATOM 0 H LEU A 17 -5.908 -6.005 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.100 -6.506 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.610 -4.098 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.879 -4.157 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.954 -6.288 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.157 -4.815 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.380 -4.453 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.961 -3.395 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.946 -5.744 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.604 -4.386 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.566 -6.056 -3.789 1.00 0.00 H new ATOM 222 N TRP A 18 -2.715 -5.214 0.350 1.00 0.00 N ATOM 223 CA TRP A 18 -2.537 -4.708 1.701 1.00 0.00 C ATOM 224 C TRP A 18 -1.044 -4.452 1.916 1.00 0.00 C ATOM 225 O TRP A 18 -0.205 -5.038 1.235 1.00 0.00 O ATOM 226 CB TRP A 18 -3.134 -5.670 2.730 1.00 0.00 C ATOM 227 CG TRP A 18 -2.721 -7.129 2.530 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.368 -8.084 1.848 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.533 -7.766 3.048 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.688 -9.284 1.888 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.537 -9.084 2.641 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.491 -7.244 3.835 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.523 -9.991 2.972 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.515 -8.163 4.157 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.526 -9.494 3.755 1.00 0.00 C ATOM 0 H TRP A 18 -1.855 -5.510 -0.112 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.074 -3.769 1.836 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.833 -5.351 3.728 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.221 -5.602 2.688 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.305 -7.933 1.332 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.977 -10.157 1.446 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.469 -6.216 4.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.549 -11.019 2.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.340 -7.814 4.760 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.340 -10.142 4.045 1.00 0.00 H new ATOM 246 N LEU A 19 -0.758 -3.575 2.868 1.00 0.00 N ATOM 247 CA LEU A 19 0.619 -3.234 3.182 1.00 0.00 C ATOM 248 C LEU A 19 1.109 -4.117 4.331 1.00 0.00 C ATOM 249 O LEU A 19 0.341 -4.453 5.232 1.00 0.00 O ATOM 250 CB LEU A 19 0.750 -1.735 3.459 1.00 0.00 C ATOM 251 CG LEU A 19 0.187 -0.803 2.385 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.368 -1.402 0.989 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.274 -0.453 2.673 1.00 0.00 C ATOM 0 H LEU A 19 -1.457 -3.091 3.432 1.00 0.00 H new ATOM 0 HA LEU A 19 1.265 -3.434 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.249 -1.515 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.806 -1.502 3.597 1.00 0.00 H new ATOM 0 HG LEU A 19 0.752 0.129 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.041 -0.719 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.429 -1.558 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.155 -2.357 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.649 0.211 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.870 -1.365 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.345 0.045 3.640 1.00 0.00 H new ATOM 265 N GLN A 20 2.385 -4.468 4.263 1.00 0.00 N ATOM 266 CA GLN A 20 2.986 -5.306 5.287 1.00 0.00 C ATOM 267 C GLN A 20 3.945 -4.483 6.150 1.00 0.00 C ATOM 268 O GLN A 20 5.118 -4.336 5.813 1.00 0.00 O ATOM 269 CB GLN A 20 3.702 -6.505 4.663 1.00 0.00 C ATOM 270 CG GLN A 20 3.890 -7.626 5.688 1.00 0.00 C ATOM 271 CD GLN A 20 4.443 -8.889 5.025 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.530 -8.905 4.471 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.637 -9.943 5.112 1.00 0.00 N ATOM 0 H GLN A 20 3.019 -4.187 3.515 1.00 0.00 H new ATOM 0 HA GLN A 20 2.192 -5.691 5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.126 -6.876 3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.673 -6.193 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.570 -7.295 6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.936 -7.850 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.740 -9.861 5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.916 -10.834 4.701 1.00 0.00 H new ATOM 282 N SER A 21 3.409 -3.968 7.247 1.00 0.00 N ATOM 283 CA SER A 21 4.202 -3.164 8.161 1.00 0.00 C ATOM 284 C SER A 21 5.243 -4.041 8.861 1.00 0.00 C ATOM 285 O SER A 21 5.003 -5.224 9.100 1.00 0.00 O ATOM 286 CB SER A 21 3.314 -2.468 9.194 1.00 0.00 C ATOM 287 OG SER A 21 1.930 -2.723 8.968 1.00 0.00 O ATOM 0 H SER A 21 2.435 -4.092 7.523 1.00 0.00 H new ATOM 0 HA SER A 21 4.714 -2.394 7.584 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.586 -2.807 10.193 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.494 -1.394 9.162 1.00 0.00 H new ATOM 0 HG SER A 21 1.505 -2.992 9.809 1.00 0.00 H new ATOM 293 N PRO A 22 6.405 -3.411 9.177 1.00 0.00 N ATOM 294 CA PRO A 22 7.483 -4.121 9.845 1.00 0.00 C ATOM 295 C PRO A 22 7.161 -4.342 11.324 1.00 0.00 C ATOM 296 O PRO A 22 6.319 -3.647 11.890 1.00 0.00 O ATOM 297 CB PRO A 22 8.716 -3.257 9.629 1.00 0.00 C ATOM 298 CG PRO A 22 8.198 -1.878 9.254 1.00 0.00 C ATOM 299 CD PRO A 22 6.724 -2.011 8.909 1.00 0.00 C ATOM 0 HA PRO A 22 7.638 -5.123 9.444 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.325 -3.213 10.532 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.346 -3.666 8.839 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.335 -1.181 10.081 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.754 -1.479 8.406 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.113 -1.343 9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.537 -1.755 7.866 1.00 0.00 H new ATOM 307 N THR A 23 7.847 -5.314 11.907 1.00 0.00 N ATOM 308 CA THR A 23 7.644 -5.636 13.309 1.00 0.00 C ATOM 309 C THR A 23 7.476 -4.357 14.131 1.00 0.00 C ATOM 310 O THR A 23 7.975 -3.299 13.750 1.00 0.00 O ATOM 311 CB THR A 23 8.817 -6.504 13.770 1.00 0.00 C ATOM 312 OG1 THR A 23 8.481 -7.812 13.313 1.00 0.00 O ATOM 313 CG2 THR A 23 8.879 -6.646 15.292 1.00 0.00 C ATOM 0 H THR A 23 8.544 -5.889 11.434 1.00 0.00 H new ATOM 0 HA THR A 23 6.724 -6.203 13.455 1.00 0.00 H new ATOM 0 HB THR A 23 9.751 -6.074 13.408 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.189 -8.440 13.568 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.729 -7.271 15.565 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.993 -5.661 15.745 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.959 -7.107 15.652 1.00 0.00 H new ATOM 321 N GLY A 24 6.771 -4.495 15.245 1.00 0.00 N ATOM 322 CA GLY A 24 6.531 -3.364 16.124 1.00 0.00 C ATOM 323 C GLY A 24 5.749 -2.265 15.402 1.00 0.00 C ATOM 324 O GLY A 24 6.180 -1.113 15.365 1.00 0.00 O ATOM 0 H GLY A 24 6.358 -5.374 15.558 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.976 -3.693 17.003 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.482 -2.966 16.478 1.00 0.00 H new ATOM 328 N GLY A 25 4.612 -2.659 14.847 1.00 0.00 N ATOM 329 CA GLY A 25 3.765 -1.722 14.129 1.00 0.00 C ATOM 330 C GLY A 25 2.312 -2.199 14.111 1.00 0.00 C ATOM 331 O GLY A 25 1.967 -3.177 14.773 1.00 0.00 O ATOM 0 H GLY A 25 4.258 -3.615 14.880 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.823 -0.740 14.599 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.127 -1.609 13.107 1.00 0.00 H new ATOM 335 N PRO A 26 1.477 -1.468 13.326 1.00 0.00 N ATOM 336 CA PRO A 26 0.068 -1.806 13.213 1.00 0.00 C ATOM 337 C PRO A 26 -0.130 -3.041 12.332 1.00 0.00 C ATOM 338 O PRO A 26 0.821 -3.540 11.733 1.00 0.00 O ATOM 339 CB PRO A 26 -0.592 -0.560 12.645 1.00 0.00 C ATOM 340 CG PRO A 26 0.529 0.261 12.028 1.00 0.00 C ATOM 341 CD PRO A 26 1.850 -0.303 12.528 1.00 0.00 C ATOM 0 HA PRO A 26 -0.378 -2.075 14.171 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.342 -0.821 11.898 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.103 0.002 13.427 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.482 0.215 10.940 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.432 1.310 12.307 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.500 -0.582 11.699 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.392 0.429 13.126 1.00 0.00 H new ATOM 349 N PRO A 27 -1.406 -3.511 12.280 1.00 0.00 N ATOM 350 CA PRO A 27 -1.741 -4.679 11.483 1.00 0.00 C ATOM 351 C PRO A 27 -1.770 -4.335 9.992 1.00 0.00 C ATOM 352 O PRO A 27 -1.643 -3.170 9.618 1.00 0.00 O ATOM 353 CB PRO A 27 -3.088 -5.143 12.012 1.00 0.00 C ATOM 354 CG PRO A 27 -3.672 -3.956 12.762 1.00 0.00 C ATOM 355 CD PRO A 27 -2.558 -2.946 12.976 1.00 0.00 C ATOM 0 HA PRO A 27 -1.000 -5.474 11.568 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.743 -5.451 11.197 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.974 -6.004 12.671 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.488 -3.510 12.194 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.087 -4.275 13.718 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.825 -1.970 12.571 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.350 -2.805 14.037 1.00 0.00 H new ATOM 363 N PRO A 28 -1.943 -5.397 9.161 1.00 0.00 N ATOM 364 CA PRO A 28 -1.990 -5.219 7.719 1.00 0.00 C ATOM 365 C PRO A 28 -3.328 -4.618 7.285 1.00 0.00 C ATOM 366 O PRO A 28 -4.380 -5.219 7.494 1.00 0.00 O ATOM 367 CB PRO A 28 -1.747 -6.604 7.144 1.00 0.00 C ATOM 368 CG PRO A 28 -2.034 -7.581 8.272 1.00 0.00 C ATOM 369 CD PRO A 28 -2.096 -6.790 9.569 1.00 0.00 C ATOM 0 HA PRO A 28 -1.241 -4.515 7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.398 -6.792 6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.721 -6.706 6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.976 -8.101 8.096 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.255 -8.342 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.043 -6.950 10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.304 -7.091 10.255 1.00 0.00 H new ATOM 377 N ILE A 29 -3.244 -3.437 6.689 1.00 0.00 N ATOM 378 CA ILE A 29 -4.436 -2.748 6.223 1.00 0.00 C ATOM 379 C ILE A 29 -4.785 -3.236 4.816 1.00 0.00 C ATOM 380 O ILE A 29 -3.899 -3.450 3.991 1.00 0.00 O ATOM 381 CB ILE A 29 -4.250 -1.232 6.319 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.081 -0.792 7.775 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.396 -0.494 5.626 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.654 -0.306 8.039 1.00 0.00 C ATOM 0 H ILE A 29 -2.370 -2.940 6.518 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.287 -2.984 6.863 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.333 -0.966 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.788 0.006 8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.314 -1.624 8.439 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.239 0.581 5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.427 -0.776 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.340 -0.761 6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.561 0.001 9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.951 -1.113 7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.432 0.541 7.390 1.00 0.00 H new ATOM 396 N PHE A 30 -6.080 -3.399 4.586 1.00 0.00 N ATOM 397 CA PHE A 30 -6.558 -3.859 3.293 1.00 0.00 C ATOM 398 C PHE A 30 -7.159 -2.704 2.488 1.00 0.00 C ATOM 399 O PHE A 30 -8.250 -2.228 2.800 1.00 0.00 O ATOM 400 CB PHE A 30 -7.647 -4.899 3.562 1.00 0.00 C ATOM 401 CG PHE A 30 -7.117 -6.231 4.097 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.676 -6.321 5.380 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.087 -7.324 3.289 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.184 -7.557 5.877 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.595 -8.560 3.785 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.154 -8.651 5.069 1.00 0.00 C ATOM 0 H PHE A 30 -6.813 -3.221 5.273 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.731 -4.276 2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.358 -4.488 4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.196 -5.083 2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.700 -5.452 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.437 -7.252 2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.834 -7.628 6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.571 -9.428 3.143 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.780 -9.591 5.447 1.00 0.00 H new ATOM 416 N LEU A 31 -6.422 -2.288 1.469 1.00 0.00 N ATOM 417 CA LEU A 31 -6.869 -1.198 0.618 1.00 0.00 C ATOM 418 C LEU A 31 -8.153 -1.614 -0.103 1.00 0.00 C ATOM 419 O LEU A 31 -8.485 -2.797 -0.154 1.00 0.00 O ATOM 420 CB LEU A 31 -5.747 -0.761 -0.326 1.00 0.00 C ATOM 421 CG LEU A 31 -4.320 -0.960 0.190 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.316 -0.179 -0.659 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.219 -0.600 1.674 1.00 0.00 C ATOM 0 H LEU A 31 -5.518 -2.686 1.213 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.110 -0.320 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.853 -1.309 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.884 0.295 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.067 -2.016 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.310 -0.338 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.365 -0.525 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.556 0.884 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.195 -0.750 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.499 0.444 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.891 -1.237 2.249 1.00 0.00 H new ATOM 435 N PRO A 32 -8.858 -0.591 -0.657 1.00 0.00 N ATOM 436 CA PRO A 32 -10.098 -0.839 -1.373 1.00 0.00 C ATOM 437 C PRO A 32 -9.823 -1.442 -2.752 1.00 0.00 C ATOM 438 O PRO A 32 -8.766 -1.209 -3.336 1.00 0.00 O ATOM 439 CB PRO A 32 -10.788 0.514 -1.443 1.00 0.00 C ATOM 440 CG PRO A 32 -9.706 1.548 -1.177 1.00 0.00 C ATOM 441 CD PRO A 32 -8.495 0.822 -0.616 1.00 0.00 C ATOM 0 HA PRO A 32 -10.734 -1.570 -0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.245 0.669 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.586 0.584 -0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.445 2.072 -2.096 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.061 2.299 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.604 1.019 -1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.276 1.145 0.402 1.00 0.00 H new ATOM 449 N SER A 33 -10.794 -2.206 -3.232 1.00 0.00 N ATOM 450 CA SER A 33 -10.670 -2.844 -4.531 1.00 0.00 C ATOM 451 C SER A 33 -11.484 -2.073 -5.573 1.00 0.00 C ATOM 452 O SER A 33 -11.160 -2.095 -6.759 1.00 0.00 O ATOM 453 CB SER A 33 -11.128 -4.303 -4.474 1.00 0.00 C ATOM 454 OG SER A 33 -10.580 -4.991 -3.353 1.00 0.00 O ATOM 0 H SER A 33 -11.669 -2.397 -2.744 1.00 0.00 H new ATOM 0 HA SER A 33 -9.619 -2.832 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.216 -4.340 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.833 -4.812 -5.392 1.00 0.00 H new ATOM 0 HG SER A 33 -10.897 -5.918 -3.351 1.00 0.00 H new ATOM 460 N ASP A 34 -12.525 -1.409 -5.091 1.00 0.00 N ATOM 461 CA ASP A 34 -13.387 -0.633 -5.966 1.00 0.00 C ATOM 462 C ASP A 34 -12.528 0.282 -6.840 1.00 0.00 C ATOM 463 O ASP A 34 -12.840 0.502 -8.010 1.00 0.00 O ATOM 464 CB ASP A 34 -14.343 0.247 -5.157 1.00 0.00 C ATOM 465 CG ASP A 34 -15.181 1.222 -5.986 1.00 0.00 C ATOM 466 OD1 ASP A 34 -15.664 0.789 -7.055 1.00 0.00 O ATOM 467 OD2 ASP A 34 -15.321 2.378 -5.532 1.00 0.00 O ATOM 0 H ASP A 34 -12.790 -1.393 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.964 -1.329 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.016 -0.398 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.763 0.816 -4.431 1.00 0.00 H new ATOM 472 N GLY A 35 -11.462 0.792 -6.240 1.00 0.00 N ATOM 473 CA GLY A 35 -10.556 1.679 -6.949 1.00 0.00 C ATOM 474 C GLY A 35 -10.277 2.944 -6.135 1.00 0.00 C ATOM 475 O GLY A 35 -9.435 3.757 -6.514 1.00 0.00 O ATOM 0 H GLY A 35 -11.206 0.607 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.619 1.160 -7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.987 1.950 -7.913 1.00 0.00 H new ATOM 479 N GLN A 36 -10.999 3.070 -5.032 1.00 0.00 N ATOM 480 CA GLN A 36 -10.840 4.222 -4.161 1.00 0.00 C ATOM 481 C GLN A 36 -9.364 4.426 -3.815 1.00 0.00 C ATOM 482 O GLN A 36 -8.507 3.667 -4.264 1.00 0.00 O ATOM 483 CB GLN A 36 -11.685 4.073 -2.895 1.00 0.00 C ATOM 484 CG GLN A 36 -13.069 4.698 -3.082 1.00 0.00 C ATOM 485 CD GLN A 36 -13.906 4.568 -1.808 1.00 0.00 C ATOM 486 OE1 GLN A 36 -14.037 5.493 -1.023 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.464 3.371 -1.647 1.00 0.00 N ATOM 0 H GLN A 36 -11.696 2.393 -4.721 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.194 5.106 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.790 3.017 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.177 4.550 -2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.964 5.750 -3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.583 4.211 -3.910 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.314 2.640 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.042 3.184 -0.828 1.00 0.00 H new ATOM 496 N ALA A 37 -9.112 5.455 -3.019 1.00 0.00 N ATOM 497 CA ALA A 37 -7.755 5.768 -2.607 1.00 0.00 C ATOM 498 C ALA A 37 -7.715 5.943 -1.087 1.00 0.00 C ATOM 499 O ALA A 37 -8.439 6.769 -0.535 1.00 0.00 O ATOM 500 CB ALA A 37 -7.270 7.014 -3.350 1.00 0.00 C ATOM 0 H ALA A 37 -9.826 6.083 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.079 4.952 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.252 7.249 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.289 6.828 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.923 7.855 -3.116 1.00 0.00 H new ATOM 506 N LEU A 38 -6.860 5.152 -0.455 1.00 0.00 N ATOM 507 CA LEU A 38 -6.716 5.209 0.990 1.00 0.00 C ATOM 508 C LEU A 38 -5.586 6.176 1.348 1.00 0.00 C ATOM 509 O LEU A 38 -4.412 5.861 1.160 1.00 0.00 O ATOM 510 CB LEU A 38 -6.529 3.804 1.566 1.00 0.00 C ATOM 511 CG LEU A 38 -7.146 3.556 2.944 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.588 4.065 2.998 1.00 0.00 C ATOM 513 CD2 LEU A 38 -7.044 2.080 3.332 1.00 0.00 C ATOM 0 H LEU A 38 -6.260 4.468 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.626 5.598 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.954 3.086 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.461 3.597 1.626 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.577 4.123 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.003 3.877 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.604 5.136 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.186 3.545 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.490 1.931 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.574 1.473 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.996 1.783 3.360 1.00 0.00 H new ATOM 525 N VAL A 39 -5.980 7.334 1.857 1.00 0.00 N ATOM 526 CA VAL A 39 -5.015 8.349 2.243 1.00 0.00 C ATOM 527 C VAL A 39 -4.268 7.887 3.496 1.00 0.00 C ATOM 528 O VAL A 39 -4.883 7.628 4.529 1.00 0.00 O ATOM 529 CB VAL A 39 -5.717 9.696 2.429 1.00 0.00 C ATOM 530 CG1 VAL A 39 -5.036 10.523 3.521 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.775 10.470 1.110 1.00 0.00 C ATOM 0 H VAL A 39 -6.955 7.592 2.011 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.274 8.489 1.456 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.741 9.500 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.554 11.475 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.070 9.978 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.998 10.706 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.279 11.423 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.762 10.650 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.325 9.888 0.371 1.00 0.00 H new ATOM 541 N LEU A 40 -2.953 7.797 3.363 1.00 0.00 N ATOM 542 CA LEU A 40 -2.116 7.370 4.471 1.00 0.00 C ATOM 543 C LEU A 40 -1.564 8.602 5.192 1.00 0.00 C ATOM 544 O LEU A 40 -1.755 9.729 4.737 1.00 0.00 O ATOM 545 CB LEU A 40 -1.032 6.406 3.984 1.00 0.00 C ATOM 546 CG LEU A 40 -1.060 5.003 4.592 1.00 0.00 C ATOM 547 CD1 LEU A 40 -2.331 4.254 4.184 1.00 0.00 C ATOM 548 CD2 LEU A 40 0.206 4.223 4.230 1.00 0.00 C ATOM 0 H LEU A 40 -2.446 8.013 2.504 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.704 6.811 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.116 6.313 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.059 6.851 4.191 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.078 5.101 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.326 3.259 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.205 4.804 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.368 4.165 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.161 3.229 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.280 4.133 3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.080 4.751 4.611 1.00 0.00 H new ATOM 560 N GLY A 41 -0.892 8.346 6.304 1.00 0.00 N ATOM 561 CA GLY A 41 -0.311 9.420 7.092 1.00 0.00 C ATOM 562 C GLY A 41 -0.507 9.169 8.589 1.00 0.00 C ATOM 563 O GLY A 41 -0.841 8.058 8.997 1.00 0.00 O ATOM 0 H GLY A 41 -0.737 7.410 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.753 9.505 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.771 10.369 6.815 1.00 0.00 H new ATOM 567 N ARG A 42 -0.291 10.220 9.365 1.00 0.00 N ATOM 568 CA ARG A 42 -0.440 10.128 10.808 1.00 0.00 C ATOM 569 C ARG A 42 -1.747 9.418 11.162 1.00 0.00 C ATOM 570 O ARG A 42 -2.731 9.519 10.431 1.00 0.00 O ATOM 571 CB ARG A 42 -0.430 11.516 11.452 1.00 0.00 C ATOM 572 CG ARG A 42 0.823 11.715 12.307 1.00 0.00 C ATOM 573 CD ARG A 42 0.824 13.096 12.965 1.00 0.00 C ATOM 574 NE ARG A 42 -0.285 13.193 13.940 1.00 0.00 N ATOM 575 CZ ARG A 42 -0.621 14.318 14.587 1.00 0.00 C ATOM 576 NH1 ARG A 42 0.064 15.448 14.366 1.00 0.00 N ATOM 577 NH2 ARG A 42 -1.643 14.313 15.454 1.00 0.00 N ATOM 0 H ARG A 42 -0.014 11.140 9.022 1.00 0.00 H new ATOM 0 HA ARG A 42 0.404 9.555 11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.471 12.281 10.676 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.320 11.641 12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.870 10.943 13.075 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.712 11.603 11.687 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.776 13.268 13.467 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.720 13.870 12.205 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.828 12.351 14.132 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.841 15.452 13.705 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.192 16.304 14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.165 13.453 15.622 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.898 15.169 15.946 1.00 0.00 H new ATOM 591 N GLY A 43 -1.716 8.714 12.285 1.00 0.00 N ATOM 592 CA GLY A 43 -2.887 7.987 12.745 1.00 0.00 C ATOM 593 C GLY A 43 -2.523 6.552 13.133 1.00 0.00 C ATOM 594 O GLY A 43 -1.370 6.145 13.008 1.00 0.00 O ATOM 0 H GLY A 43 -0.898 8.632 12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.325 8.500 13.602 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.644 7.975 11.960 1.00 0.00 H new ATOM 598 N PRO A 44 -3.556 5.807 13.609 1.00 0.00 N ATOM 599 CA PRO A 44 -3.357 4.426 14.016 1.00 0.00 C ATOM 600 C PRO A 44 -3.212 3.511 12.799 1.00 0.00 C ATOM 601 O PRO A 44 -2.883 2.334 12.938 1.00 0.00 O ATOM 602 CB PRO A 44 -4.568 4.090 14.871 1.00 0.00 C ATOM 603 CG PRO A 44 -5.621 5.132 14.531 1.00 0.00 C ATOM 604 CD PRO A 44 -4.936 6.256 13.772 1.00 0.00 C ATOM 0 HA PRO A 44 -2.435 4.282 14.580 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.930 3.085 14.657 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.318 4.120 15.931 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.413 4.691 13.927 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.088 5.514 15.439 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.412 6.430 12.807 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.984 7.194 14.325 1.00 0.00 H new ATOM 612 N LEU A 45 -3.465 4.086 11.632 1.00 0.00 N ATOM 613 CA LEU A 45 -3.367 3.337 10.391 1.00 0.00 C ATOM 614 C LEU A 45 -1.955 2.763 10.258 1.00 0.00 C ATOM 615 O LEU A 45 -1.780 1.548 10.178 1.00 0.00 O ATOM 616 CB LEU A 45 -3.792 4.206 9.206 1.00 0.00 C ATOM 617 CG LEU A 45 -5.299 4.390 9.015 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.831 5.513 9.907 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.641 4.617 7.541 1.00 0.00 C ATOM 0 H LEU A 45 -3.738 5.062 11.520 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.056 2.492 10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.338 5.190 9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.381 3.770 8.295 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.798 3.471 9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.904 5.623 9.752 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.638 5.270 10.952 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.330 6.447 9.654 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.718 4.745 7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.132 5.512 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.317 3.756 6.956 1.00 0.00 H new ATOM 631 N THR A 46 -0.983 3.664 10.239 1.00 0.00 N ATOM 632 CA THR A 46 0.408 3.262 10.116 1.00 0.00 C ATOM 633 C THR A 46 1.133 3.437 11.452 1.00 0.00 C ATOM 634 O THR A 46 2.311 3.104 11.571 1.00 0.00 O ATOM 635 CB THR A 46 1.034 4.066 8.975 1.00 0.00 C ATOM 636 OG1 THR A 46 0.821 5.424 9.351 1.00 0.00 O ATOM 637 CG2 THR A 46 0.263 3.917 7.662 1.00 0.00 C ATOM 0 H THR A 46 -1.132 4.671 10.307 1.00 0.00 H new ATOM 0 HA THR A 46 0.494 2.203 9.871 1.00 0.00 H new ATOM 0 HB THR A 46 2.065 3.746 8.828 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.198 6.016 8.667 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.749 4.508 6.886 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.249 2.868 7.365 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.760 4.269 7.799 1.00 0.00 H new ATOM 645 N GLN A 47 0.398 3.958 12.424 1.00 0.00 N ATOM 646 CA GLN A 47 0.956 4.181 13.747 1.00 0.00 C ATOM 647 C GLN A 47 2.049 5.250 13.688 1.00 0.00 C ATOM 648 O GLN A 47 2.982 5.234 14.490 1.00 0.00 O ATOM 649 CB GLN A 47 1.496 2.878 14.341 1.00 0.00 C ATOM 650 CG GLN A 47 0.353 1.979 14.818 1.00 0.00 C ATOM 651 CD GLN A 47 0.295 1.931 16.346 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.286 2.107 17.037 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.917 1.684 16.834 1.00 0.00 N ATOM 0 H GLN A 47 -0.579 4.232 12.322 1.00 0.00 H new ATOM 0 HA GLN A 47 0.160 4.538 14.401 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.090 2.352 13.594 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.160 3.102 15.176 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.594 2.350 14.426 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.489 0.972 14.424 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.704 1.546 16.200 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.060 1.632 17.843 1.00 0.00 H new ATOM 662 N VAL A 48 1.897 6.154 12.732 1.00 0.00 N ATOM 663 CA VAL A 48 2.859 7.229 12.558 1.00 0.00 C ATOM 664 C VAL A 48 2.419 8.440 13.384 1.00 0.00 C ATOM 665 O VAL A 48 1.252 8.828 13.350 1.00 0.00 O ATOM 666 CB VAL A 48 3.025 7.549 11.071 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.633 8.938 10.873 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.863 6.478 10.371 1.00 0.00 C ATOM 0 H VAL A 48 1.122 6.164 12.069 1.00 0.00 H new ATOM 0 HA VAL A 48 3.840 6.925 12.922 1.00 0.00 H new ATOM 0 HB VAL A 48 2.035 7.550 10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.740 9.140 9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.981 9.688 11.321 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.612 8.978 11.350 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.966 6.729 9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.850 6.430 10.831 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.371 5.510 10.467 1.00 0.00 H new ATOM 678 N THR A 49 3.376 9.002 14.107 1.00 0.00 N ATOM 679 CA THR A 49 3.102 10.160 14.940 1.00 0.00 C ATOM 680 C THR A 49 3.950 11.353 14.492 1.00 0.00 C ATOM 681 O THR A 49 3.512 12.499 14.582 1.00 0.00 O ATOM 682 CB THR A 49 3.339 9.761 16.398 1.00 0.00 C ATOM 683 OG1 THR A 49 4.658 9.223 16.401 1.00 0.00 O ATOM 684 CG2 THR A 49 2.458 8.588 16.834 1.00 0.00 C ATOM 0 H THR A 49 4.342 8.677 14.133 1.00 0.00 H new ATOM 0 HA THR A 49 2.065 10.482 14.840 1.00 0.00 H new ATOM 0 HB THR A 49 3.149 10.618 17.044 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.894 8.940 17.309 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.665 8.345 17.876 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.408 8.862 16.727 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.672 7.721 16.210 1.00 0.00 H new ATOM 692 N ASP A 50 5.147 11.042 14.018 1.00 0.00 N ATOM 693 CA ASP A 50 6.060 12.073 13.556 1.00 0.00 C ATOM 694 C ASP A 50 5.270 13.151 12.812 1.00 0.00 C ATOM 695 O ASP A 50 4.563 12.855 11.849 1.00 0.00 O ATOM 696 CB ASP A 50 7.098 11.497 12.590 1.00 0.00 C ATOM 697 CG ASP A 50 8.263 12.432 12.261 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.097 13.649 12.492 1.00 0.00 O ATOM 699 OD2 ASP A 50 9.294 11.909 11.784 1.00 0.00 O ATOM 0 H ASP A 50 5.506 10.090 13.944 1.00 0.00 H new ATOM 0 HA ASP A 50 6.568 12.488 14.426 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.499 10.578 13.017 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.597 11.225 11.661 1.00 0.00 H new ATOM 704 N ARG A 51 5.415 14.380 13.286 1.00 0.00 N ATOM 705 CA ARG A 51 4.724 15.504 12.677 1.00 0.00 C ATOM 706 C ARG A 51 5.102 15.622 11.200 1.00 0.00 C ATOM 707 O ARG A 51 4.361 16.207 10.411 1.00 0.00 O ATOM 708 CB ARG A 51 5.066 16.813 13.391 1.00 0.00 C ATOM 709 CG ARG A 51 6.580 17.035 13.433 1.00 0.00 C ATOM 710 CD ARG A 51 6.911 18.481 13.805 1.00 0.00 C ATOM 711 NE ARG A 51 6.957 18.628 15.277 1.00 0.00 N ATOM 712 CZ ARG A 51 7.209 19.782 15.909 1.00 0.00 C ATOM 713 NH1 ARG A 51 7.439 20.897 15.203 1.00 0.00 N ATOM 714 NH2 ARG A 51 7.230 19.822 17.249 1.00 0.00 N ATOM 0 H ARG A 51 6.001 14.622 14.085 1.00 0.00 H new ATOM 0 HA ARG A 51 3.653 15.324 12.768 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.587 17.647 12.879 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.669 16.792 14.406 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.031 16.357 14.158 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.013 16.797 12.461 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.870 18.766 13.373 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.161 19.153 13.388 1.00 0.00 H new ATOM 0 HE ARG A 51 6.786 17.799 15.846 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.422 20.868 14.184 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.631 21.775 15.685 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.054 18.974 17.787 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.422 20.701 17.730 1.00 0.00 H new ATOM 728 N LYS A 52 6.254 15.058 10.869 1.00 0.00 N ATOM 729 CA LYS A 52 6.739 15.094 9.500 1.00 0.00 C ATOM 730 C LYS A 52 5.735 14.385 8.589 1.00 0.00 C ATOM 731 O LYS A 52 5.789 14.529 7.369 1.00 0.00 O ATOM 732 CB LYS A 52 8.156 14.521 9.418 1.00 0.00 C ATOM 733 CG LYS A 52 9.173 15.483 10.035 1.00 0.00 C ATOM 734 CD LYS A 52 9.569 16.575 9.039 1.00 0.00 C ATOM 735 CE LYS A 52 10.396 17.666 9.721 1.00 0.00 C ATOM 736 NZ LYS A 52 10.791 18.705 8.744 1.00 0.00 N ATOM 0 H LYS A 52 6.866 14.573 11.526 1.00 0.00 H new ATOM 0 HA LYS A 52 6.816 16.123 9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.195 13.563 9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.415 14.331 8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.751 15.939 10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.060 14.930 10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.142 16.136 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.673 17.014 8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.818 18.118 10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.285 17.227 10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.352 19.438 9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.360 18.273 7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.939 19.136 8.332 1.00 0.00 H new ATOM 750 N CYS A 53 4.843 13.633 9.217 1.00 0.00 N ATOM 751 CA CYS A 53 3.828 12.901 8.479 1.00 0.00 C ATOM 752 C CYS A 53 2.543 13.731 8.477 1.00 0.00 C ATOM 753 O CYS A 53 2.201 14.356 9.480 1.00 0.00 O ATOM 754 CB CYS A 53 3.604 11.504 9.059 1.00 0.00 C ATOM 755 SG CYS A 53 4.006 10.233 7.805 1.00 0.00 S ATOM 0 H CYS A 53 4.802 13.515 10.229 1.00 0.00 H new ATOM 0 HA CYS A 53 4.161 12.747 7.453 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.226 11.364 9.943 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.568 11.396 9.379 1.00 0.00 H new ATOM 0 HG CYS A 53 3.769 10.705 6.617 1.00 0.00 H new ATOM 761 N SER A 54 1.865 13.711 7.338 1.00 0.00 N ATOM 762 CA SER A 54 0.625 14.454 7.192 1.00 0.00 C ATOM 763 C SER A 54 -0.538 13.489 6.955 1.00 0.00 C ATOM 764 O SER A 54 -0.405 12.523 6.205 1.00 0.00 O ATOM 765 CB SER A 54 0.720 15.464 6.047 1.00 0.00 C ATOM 766 OG SER A 54 1.020 16.776 6.515 1.00 0.00 O ATOM 0 H SER A 54 2.151 13.192 6.508 1.00 0.00 H new ATOM 0 HA SER A 54 0.447 15.007 8.114 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.490 15.145 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.223 15.481 5.500 1.00 0.00 H new ATOM 0 HG SER A 54 1.074 17.391 5.754 1.00 0.00 H new ATOM 772 N ARG A 55 -1.653 13.785 7.607 1.00 0.00 N ATOM 773 CA ARG A 55 -2.839 12.955 7.476 1.00 0.00 C ATOM 774 C ARG A 55 -2.997 12.481 6.030 1.00 0.00 C ATOM 775 O ARG A 55 -3.354 11.329 5.787 1.00 0.00 O ATOM 776 CB ARG A 55 -4.095 13.721 7.895 1.00 0.00 C ATOM 777 CG ARG A 55 -4.860 12.967 8.984 1.00 0.00 C ATOM 778 CD ARG A 55 -6.369 13.043 8.748 1.00 0.00 C ATOM 779 NE ARG A 55 -7.068 12.074 9.622 1.00 0.00 N ATOM 780 CZ ARG A 55 -8.356 11.731 9.485 1.00 0.00 C ATOM 781 NH1 ARG A 55 -9.094 12.275 8.508 1.00 0.00 N ATOM 782 NH2 ARG A 55 -8.906 10.843 10.325 1.00 0.00 N ATOM 0 H ARG A 55 -1.760 14.588 8.227 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.716 12.094 8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.817 14.710 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.740 13.870 7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.543 11.924 9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.620 13.388 9.960 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.727 14.052 8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.593 12.830 7.703 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.536 11.640 10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.675 12.950 7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.074 12.014 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.344 10.428 11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.886 10.582 10.221 1.00 0.00 H new ATOM 796 N ASN A 56 -2.724 13.392 5.108 1.00 0.00 N ATOM 797 CA ASN A 56 -2.832 13.081 3.693 1.00 0.00 C ATOM 798 C ASN A 56 -1.457 13.223 3.038 1.00 0.00 C ATOM 799 O ASN A 56 -1.290 13.999 2.099 1.00 0.00 O ATOM 800 CB ASN A 56 -3.793 14.042 2.989 1.00 0.00 C ATOM 801 CG ASN A 56 -5.172 14.020 3.650 1.00 0.00 C ATOM 802 OD1 ASN A 56 -5.361 13.493 4.734 1.00 0.00 O ATOM 803 ND2 ASN A 56 -6.122 14.621 2.939 1.00 0.00 N ATOM 0 H ASN A 56 -2.428 14.346 5.313 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.208 12.062 3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.388 15.053 3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.885 13.766 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.077 14.661 3.295 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.895 15.042 2.038 1.00 0.00 H new ATOM 810 N GLN A 57 -0.507 12.460 3.559 1.00 0.00 N ATOM 811 CA GLN A 57 0.848 12.491 3.036 1.00 0.00 C ATOM 812 C GLN A 57 0.868 12.014 1.583 1.00 0.00 C ATOM 813 O GLN A 57 1.416 12.687 0.712 1.00 0.00 O ATOM 814 CB GLN A 57 1.789 11.651 3.902 1.00 0.00 C ATOM 815 CG GLN A 57 3.136 11.442 3.206 1.00 0.00 C ATOM 816 CD GLN A 57 3.918 12.755 3.120 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.810 13.628 3.966 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.708 12.845 2.055 1.00 0.00 N ATOM 0 H GLN A 57 -0.649 11.817 4.338 1.00 0.00 H new ATOM 0 HA GLN A 57 1.204 13.521 3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.944 12.145 4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.330 10.685 4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.721 10.701 3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.974 11.045 2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.751 12.077 1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.271 13.682 1.907 1.00 0.00 H new ATOM 827 N VAL A 58 0.263 10.855 1.366 1.00 0.00 N ATOM 828 CA VAL A 58 0.204 10.279 0.033 1.00 0.00 C ATOM 829 C VAL A 58 -1.160 9.617 -0.172 1.00 0.00 C ATOM 830 O VAL A 58 -1.883 9.367 0.791 1.00 0.00 O ATOM 831 CB VAL A 58 1.374 9.315 -0.173 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.681 10.079 -0.399 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.501 8.347 1.005 1.00 0.00 C ATOM 0 H VAL A 58 -0.191 10.299 2.091 1.00 0.00 H new ATOM 0 HA VAL A 58 0.305 11.057 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 58 1.170 8.728 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.497 9.370 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.586 10.708 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.892 10.704 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.340 7.673 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.670 8.911 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.583 7.767 1.100 1.00 0.00 H new ATOM 843 N GLU A 59 -1.470 9.352 -1.432 1.00 0.00 N ATOM 844 CA GLU A 59 -2.734 8.723 -1.776 1.00 0.00 C ATOM 845 C GLU A 59 -2.491 7.342 -2.387 1.00 0.00 C ATOM 846 O GLU A 59 -2.040 7.233 -3.526 1.00 0.00 O ATOM 847 CB GLU A 59 -3.546 9.607 -2.724 1.00 0.00 C ATOM 848 CG GLU A 59 -4.959 9.053 -2.916 1.00 0.00 C ATOM 849 CD GLU A 59 -5.999 10.173 -2.867 1.00 0.00 C ATOM 850 OE1 GLU A 59 -6.161 10.843 -3.910 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.609 10.335 -1.788 1.00 0.00 O ATOM 0 H GLU A 59 -0.867 9.561 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.315 8.597 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.600 10.620 -2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.042 9.670 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.023 8.534 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.174 8.318 -2.140 1.00 0.00 H new ATOM 858 N LEU A 60 -2.801 6.320 -1.602 1.00 0.00 N ATOM 859 CA LEU A 60 -2.623 4.950 -2.052 1.00 0.00 C ATOM 860 C LEU A 60 -3.906 4.469 -2.731 1.00 0.00 C ATOM 861 O LEU A 60 -5.006 4.828 -2.313 1.00 0.00 O ATOM 862 CB LEU A 60 -2.170 4.060 -0.892 1.00 0.00 C ATOM 863 CG LEU A 60 -0.668 4.050 -0.601 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.367 4.696 0.753 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.100 2.633 -0.699 1.00 0.00 C ATOM 0 H LEU A 60 -3.174 6.414 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.829 4.894 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.693 4.379 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.487 3.038 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.169 4.650 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.708 4.676 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.715 5.729 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.879 4.144 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.969 2.654 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.600 1.990 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.264 2.244 -1.704 1.00 0.00 H new ATOM 877 N ILE A 61 -3.724 3.664 -3.768 1.00 0.00 N ATOM 878 CA ILE A 61 -4.854 3.130 -4.509 1.00 0.00 C ATOM 879 C ILE A 61 -4.568 1.676 -4.888 1.00 0.00 C ATOM 880 O ILE A 61 -3.585 1.390 -5.571 1.00 0.00 O ATOM 881 CB ILE A 61 -5.180 4.025 -5.706 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.702 5.388 -5.246 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.154 3.331 -6.660 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.593 6.424 -6.366 1.00 0.00 C ATOM 0 H ILE A 61 -2.810 3.369 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.750 3.128 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.258 4.203 -6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.741 5.296 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.135 5.725 -4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.369 3.989 -7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.708 2.406 -7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.080 3.103 -6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.971 7.383 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.549 6.532 -6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.181 6.096 -7.223 1.00 0.00 H new ATOM 896 N ALA A 62 -5.445 0.795 -4.430 1.00 0.00 N ATOM 897 CA ALA A 62 -5.299 -0.623 -4.712 1.00 0.00 C ATOM 898 C ALA A 62 -5.787 -0.908 -6.134 1.00 0.00 C ATOM 899 O ALA A 62 -6.954 -0.681 -6.451 1.00 0.00 O ATOM 900 CB ALA A 62 -6.060 -1.434 -3.661 1.00 0.00 C ATOM 0 H ALA A 62 -6.260 1.036 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.252 -0.920 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.950 -2.498 -3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.656 -1.217 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.116 -1.165 -3.689 1.00 0.00 H new ATOM 906 N ASP A 63 -4.869 -1.401 -6.953 1.00 0.00 N ATOM 907 CA ASP A 63 -5.191 -1.719 -8.334 1.00 0.00 C ATOM 908 C ASP A 63 -4.971 -3.214 -8.573 1.00 0.00 C ATOM 909 O ASP A 63 -3.897 -3.624 -9.011 1.00 0.00 O ATOM 910 CB ASP A 63 -4.292 -0.947 -9.301 1.00 0.00 C ATOM 911 CG ASP A 63 -4.296 0.572 -9.117 1.00 0.00 C ATOM 912 OD1 ASP A 63 -4.236 1.001 -7.945 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.360 1.269 -10.152 1.00 0.00 O ATOM 0 H ASP A 63 -3.902 -1.588 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.230 -1.442 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.270 -1.308 -9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.601 -1.175 -10.321 1.00 0.00 H new ATOM 918 N PRO A 64 -6.031 -4.008 -8.267 1.00 0.00 N ATOM 919 CA PRO A 64 -5.964 -5.448 -8.444 1.00 0.00 C ATOM 920 C PRO A 64 -6.066 -5.824 -9.923 1.00 0.00 C ATOM 921 O PRO A 64 -6.033 -7.003 -10.272 1.00 0.00 O ATOM 922 CB PRO A 64 -7.109 -6.001 -7.610 1.00 0.00 C ATOM 923 CG PRO A 64 -8.053 -4.834 -7.374 1.00 0.00 C ATOM 924 CD PRO A 64 -7.319 -3.557 -7.746 1.00 0.00 C ATOM 0 HA PRO A 64 -5.012 -5.868 -8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.615 -6.814 -8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.745 -6.406 -6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.955 -4.945 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.368 -4.803 -6.331 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.871 -2.987 -8.493 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.190 -2.908 -6.880 1.00 0.00 H new ATOM 932 N GLU A 65 -6.187 -4.799 -10.754 1.00 0.00 N ATOM 933 CA GLU A 65 -6.294 -5.007 -12.188 1.00 0.00 C ATOM 934 C GLU A 65 -5.036 -5.698 -12.720 1.00 0.00 C ATOM 935 O GLU A 65 -5.127 -6.668 -13.470 1.00 0.00 O ATOM 936 CB GLU A 65 -6.543 -3.685 -12.917 1.00 0.00 C ATOM 937 CG GLU A 65 -8.006 -3.564 -13.349 1.00 0.00 C ATOM 938 CD GLU A 65 -8.131 -3.580 -14.874 1.00 0.00 C ATOM 939 OE1 GLU A 65 -7.661 -2.600 -15.492 1.00 0.00 O ATOM 940 OE2 GLU A 65 -8.692 -4.572 -15.387 1.00 0.00 O ATOM 0 H GLU A 65 -6.213 -3.822 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.149 -5.656 -12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.283 -2.851 -12.265 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.895 -3.620 -13.791 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.583 -4.385 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.430 -2.640 -12.956 1.00 0.00 H new ATOM 947 N SER A 66 -3.892 -5.170 -12.309 1.00 0.00 N ATOM 948 CA SER A 66 -2.618 -5.724 -12.735 1.00 0.00 C ATOM 949 C SER A 66 -1.650 -5.778 -11.551 1.00 0.00 C ATOM 950 O SER A 66 -0.440 -5.639 -11.728 1.00 0.00 O ATOM 951 CB SER A 66 -2.015 -4.904 -13.877 1.00 0.00 C ATOM 952 OG SER A 66 -2.289 -5.480 -15.151 1.00 0.00 O ATOM 0 H SER A 66 -3.821 -4.365 -11.686 1.00 0.00 H new ATOM 0 HA SER A 66 -2.790 -6.736 -13.102 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.413 -3.890 -13.845 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.937 -4.828 -13.738 1.00 0.00 H new ATOM 0 HG SER A 66 -1.889 -4.926 -15.853 1.00 0.00 H new ATOM 958 N ARG A 67 -2.218 -5.979 -10.372 1.00 0.00 N ATOM 959 CA ARG A 67 -1.420 -6.053 -9.159 1.00 0.00 C ATOM 960 C ARG A 67 -0.480 -4.850 -9.069 1.00 0.00 C ATOM 961 O ARG A 67 0.738 -5.000 -9.162 1.00 0.00 O ATOM 962 CB ARG A 67 -0.595 -7.341 -9.121 1.00 0.00 C ATOM 963 CG ARG A 67 -1.492 -8.572 -9.264 1.00 0.00 C ATOM 964 CD ARG A 67 -2.230 -8.867 -7.956 1.00 0.00 C ATOM 965 NE ARG A 67 -2.209 -10.321 -7.680 1.00 0.00 N ATOM 966 CZ ARG A 67 -2.917 -11.226 -8.370 1.00 0.00 C ATOM 967 NH1 ARG A 67 -3.706 -10.833 -9.379 1.00 0.00 N ATOM 968 NH2 ARG A 67 -2.837 -12.525 -8.050 1.00 0.00 N ATOM 0 H ARG A 67 -3.222 -6.093 -10.230 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.104 -6.048 -8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.142 -7.329 -9.924 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.043 -7.396 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.214 -8.410 -10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.889 -9.435 -9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.761 -8.326 -7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.260 -8.516 -8.023 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.619 -10.655 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.768 -9.844 -9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.244 -11.522 -9.904 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.237 -12.825 -7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.376 -13.214 -8.575 1.00 0.00 H new ATOM 982 N THR A 68 -1.080 -3.682 -8.889 1.00 0.00 N ATOM 983 CA THR A 68 -0.311 -2.454 -8.784 1.00 0.00 C ATOM 984 C THR A 68 -0.988 -1.481 -7.818 1.00 0.00 C ATOM 985 O THR A 68 -2.064 -1.768 -7.295 1.00 0.00 O ATOM 986 CB THR A 68 -0.134 -1.886 -10.194 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.415 -2.049 -10.797 1.00 0.00 O ATOM 988 CG2 THR A 68 0.796 -2.740 -11.057 1.00 0.00 C ATOM 0 H THR A 68 -2.090 -3.561 -8.813 1.00 0.00 H new ATOM 0 HA THR A 68 0.678 -2.641 -8.366 1.00 0.00 H new ATOM 0 HB THR A 68 0.261 -0.872 -10.130 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.391 -1.705 -11.714 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.887 -2.292 -12.047 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.780 -2.792 -10.590 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.385 -3.745 -11.150 1.00 0.00 H new ATOM 996 N VAL A 69 -0.331 -0.349 -7.610 1.00 0.00 N ATOM 997 CA VAL A 69 -0.857 0.668 -6.715 1.00 0.00 C ATOM 998 C VAL A 69 -0.282 2.031 -7.106 1.00 0.00 C ATOM 999 O VAL A 69 0.887 2.133 -7.474 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.562 0.289 -5.262 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.074 1.365 -4.301 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.157 -1.079 -4.920 1.00 0.00 C ATOM 0 H VAL A 69 0.561 -0.114 -8.046 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.941 0.734 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 69 0.520 0.222 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.852 1.072 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.584 2.313 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.152 1.477 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.933 -1.324 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.237 -1.051 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.725 -1.837 -5.573 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.131 3.044 -7.012 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.722 4.396 -7.351 1.00 0.00 C ATOM 1014 C ALA A 70 -0.481 5.189 -6.065 1.00 0.00 C ATOM 1015 O ALA A 70 -1.178 4.993 -5.071 1.00 0.00 O ATOM 1016 CB ALA A 70 -1.784 5.042 -8.244 1.00 0.00 C ATOM 0 H ALA A 70 -2.100 2.955 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 70 0.213 4.385 -7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.477 6.057 -8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.896 4.457 -9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.736 5.073 -7.713 1.00 0.00 H new ATOM 1022 N VAL A 71 0.508 6.069 -6.127 1.00 0.00 N ATOM 1023 CA VAL A 71 0.850 6.892 -4.979 1.00 0.00 C ATOM 1024 C VAL A 71 1.007 8.346 -5.429 1.00 0.00 C ATOM 1025 O VAL A 71 1.914 8.668 -6.195 1.00 0.00 O ATOM 1026 CB VAL A 71 2.101 6.340 -4.293 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.553 7.259 -3.156 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.866 4.916 -3.787 1.00 0.00 C ATOM 0 H VAL A 71 1.083 6.230 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 71 0.051 6.865 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 71 2.901 6.304 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.444 6.844 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.781 8.247 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.757 7.342 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.771 4.548 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.045 4.916 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.614 4.268 -4.627 1.00 0.00 H new ATOM 1038 N LYS A 72 0.109 9.185 -4.934 1.00 0.00 N ATOM 1039 CA LYS A 72 0.136 10.597 -5.276 1.00 0.00 C ATOM 1040 C LYS A 72 0.398 11.418 -4.012 1.00 0.00 C ATOM 1041 O LYS A 72 -0.386 11.374 -3.065 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.145 10.995 -6.013 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.156 12.493 -6.323 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.563 12.966 -6.694 1.00 0.00 C ATOM 1045 CE LYS A 72 -2.908 12.581 -8.135 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.784 13.604 -8.749 1.00 0.00 N ATOM 0 H LYS A 72 -0.642 8.914 -4.299 1.00 0.00 H new ATOM 0 HA LYS A 72 0.952 10.806 -5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.227 10.428 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.013 10.739 -5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.798 13.050 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.470 12.703 -7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.290 12.526 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.630 14.048 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.994 12.479 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.406 11.611 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.009 13.328 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.664 13.682 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.296 14.522 -8.753 1.00 0.00 H new ATOM 1060 N GLN A 73 1.503 12.148 -4.037 1.00 0.00 N ATOM 1061 CA GLN A 73 1.879 12.978 -2.905 1.00 0.00 C ATOM 1062 C GLN A 73 1.000 14.229 -2.849 1.00 0.00 C ATOM 1063 O GLN A 73 1.089 15.094 -3.719 1.00 0.00 O ATOM 1064 CB GLN A 73 3.361 13.351 -2.967 1.00 0.00 C ATOM 1065 CG GLN A 73 3.683 14.480 -1.985 1.00 0.00 C ATOM 1066 CD GLN A 73 5.194 14.619 -1.786 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.922 13.648 -1.666 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.622 15.878 -1.760 1.00 0.00 N ATOM 0 H GLN A 73 2.151 12.182 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 73 1.721 12.406 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.970 12.477 -2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.620 13.660 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.274 15.419 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.203 14.281 -1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.958 16.645 -1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.614 16.077 -1.634 1.00 0.00 H new ATOM 1077 N LEU A 74 0.171 14.285 -1.817 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.724 15.416 -1.637 1.00 0.00 C ATOM 1079 C LEU A 74 -0.263 16.237 -0.430 1.00 0.00 C ATOM 1080 O LEU A 74 -0.819 17.298 -0.149 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.175 14.941 -1.539 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.479 13.580 -2.170 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.625 12.880 -1.438 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -2.757 13.720 -3.668 1.00 0.00 C ATOM 0 H LEU A 74 0.100 13.566 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.686 16.074 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.453 14.901 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.814 15.688 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.596 12.950 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.821 11.915 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.351 12.728 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.522 13.498 -1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.970 12.739 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.615 14.375 -3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.884 14.147 -4.162 1.00 0.00 H new ATOM 1096 N GLY A 75 0.747 15.715 0.250 1.00 0.00 N ATOM 1097 CA GLY A 75 1.288 16.387 1.419 1.00 0.00 C ATOM 1098 C GLY A 75 2.401 17.360 1.026 1.00 0.00 C ATOM 1099 O GLY A 75 2.305 18.038 0.004 1.00 0.00 O ATOM 0 H GLY A 75 1.205 14.835 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.493 16.927 1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.677 15.648 2.120 1.00 0.00 H new ATOM 1103 N VAL A 76 3.431 17.399 1.858 1.00 0.00 N ATOM 1104 CA VAL A 76 4.561 18.279 1.611 1.00 0.00 C ATOM 1105 C VAL A 76 5.848 17.452 1.580 1.00 0.00 C ATOM 1106 O VAL A 76 6.617 17.529 0.624 1.00 0.00 O ATOM 1107 CB VAL A 76 4.592 19.396 2.655 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.170 18.874 4.030 1.00 0.00 C ATOM 1109 CG2 VAL A 76 5.975 20.049 2.718 1.00 0.00 C ATOM 0 H VAL A 76 3.507 16.835 2.705 1.00 0.00 H new ATOM 0 HA VAL A 76 4.463 18.764 0.640 1.00 0.00 H new ATOM 0 HB VAL A 76 3.874 20.158 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.201 19.689 4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.156 18.477 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.852 18.084 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.970 20.840 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.719 19.299 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.222 20.473 1.745 1.00 0.00 H new ATOM 1119 N ASN A 77 6.042 16.680 2.639 1.00 0.00 N ATOM 1120 CA ASN A 77 7.223 15.840 2.746 1.00 0.00 C ATOM 1121 C ASN A 77 7.334 14.962 1.498 1.00 0.00 C ATOM 1122 O ASN A 77 6.337 14.416 1.028 1.00 0.00 O ATOM 1123 CB ASN A 77 7.136 14.919 3.965 1.00 0.00 C ATOM 1124 CG ASN A 77 6.579 15.667 5.178 1.00 0.00 C ATOM 1125 OD1 ASN A 77 5.383 15.848 5.333 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.512 16.089 6.027 1.00 0.00 N ATOM 0 H ASN A 77 5.401 16.618 3.430 1.00 0.00 H new ATOM 0 HA ASN A 77 8.091 16.491 2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.499 14.065 3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.125 14.525 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.243 16.598 6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.497 15.903 5.836 1.00 0.00 H new ATOM 1133 N PRO A 78 8.588 14.852 0.982 1.00 0.00 N ATOM 1134 CA PRO A 78 8.842 14.050 -0.203 1.00 0.00 C ATOM 1135 C PRO A 78 8.809 12.557 0.129 1.00 0.00 C ATOM 1136 O PRO A 78 9.532 12.096 1.010 1.00 0.00 O ATOM 1137 CB PRO A 78 10.197 14.516 -0.710 1.00 0.00 C ATOM 1138 CG PRO A 78 10.859 15.225 0.461 1.00 0.00 C ATOM 1139 CD PRO A 78 9.792 15.485 1.512 1.00 0.00 C ATOM 0 HA PRO A 78 8.079 14.179 -0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.799 13.672 -1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.086 15.188 -1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.661 14.613 0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.310 16.162 0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.072 15.058 2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.642 16.553 1.668 1.00 0.00 H new ATOM 1147 N SER A 79 7.962 11.841 -0.596 1.00 0.00 N ATOM 1148 CA SER A 79 7.825 10.409 -0.391 1.00 0.00 C ATOM 1149 C SER A 79 8.717 9.651 -1.375 1.00 0.00 C ATOM 1150 O SER A 79 9.110 10.194 -2.407 1.00 0.00 O ATOM 1151 CB SER A 79 6.368 9.967 -0.547 1.00 0.00 C ATOM 1152 OG SER A 79 5.620 10.164 0.650 1.00 0.00 O ATOM 0 H SER A 79 7.363 12.226 -1.327 1.00 0.00 H new ATOM 0 HA SER A 79 8.140 10.178 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.905 10.526 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.336 8.914 -0.825 1.00 0.00 H new ATOM 0 HG SER A 79 6.093 9.751 1.403 1.00 0.00 H new ATOM 1158 N THR A 80 9.012 8.409 -1.022 1.00 0.00 N ATOM 1159 CA THR A 80 9.851 7.571 -1.862 1.00 0.00 C ATOM 1160 C THR A 80 9.110 6.290 -2.247 1.00 0.00 C ATOM 1161 O THR A 80 8.903 5.412 -1.410 1.00 0.00 O ATOM 1162 CB THR A 80 11.161 7.314 -1.114 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.703 8.615 -0.904 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.205 6.612 -1.986 1.00 0.00 C ATOM 0 H THR A 80 8.685 7.962 -0.165 1.00 0.00 H new ATOM 0 HA THR A 80 10.089 8.066 -2.803 1.00 0.00 H new ATOM 0 HB THR A 80 10.961 6.710 -0.229 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.554 8.541 -0.423 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.115 6.453 -1.407 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.814 5.650 -2.318 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.430 7.232 -2.854 1.00 0.00 H new ATOM 1172 N VAL A 81 8.730 6.222 -3.515 1.00 0.00 N ATOM 1173 CA VAL A 81 8.016 5.062 -4.021 1.00 0.00 C ATOM 1174 C VAL A 81 9.024 4.029 -4.528 1.00 0.00 C ATOM 1175 O VAL A 81 9.314 3.973 -5.722 1.00 0.00 O ATOM 1176 CB VAL A 81 7.012 5.493 -5.092 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.539 4.293 -5.915 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.826 6.231 -4.467 1.00 0.00 C ATOM 0 H VAL A 81 8.903 6.951 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 81 7.440 4.590 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 81 7.518 6.183 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.826 4.627 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.394 3.828 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.059 3.568 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.128 6.526 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.321 5.574 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.184 7.119 -3.946 1.00 0.00 H new ATOM 1188 N GLY A 82 9.531 3.237 -3.595 1.00 0.00 N ATOM 1189 CA GLY A 82 10.501 2.209 -3.932 1.00 0.00 C ATOM 1190 C GLY A 82 11.930 2.704 -3.696 1.00 0.00 C ATOM 1191 O GLY A 82 12.418 2.689 -2.567 1.00 0.00 O ATOM 0 H GLY A 82 9.288 3.286 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.317 1.319 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.381 1.919 -4.976 1.00 0.00 H new ATOM 1195 N VAL A 83 12.560 3.132 -4.781 1.00 0.00 N ATOM 1196 CA VAL A 83 13.923 3.630 -4.706 1.00 0.00 C ATOM 1197 C VAL A 83 14.012 4.968 -5.444 1.00 0.00 C ATOM 1198 O VAL A 83 15.104 5.422 -5.783 1.00 0.00 O ATOM 1199 CB VAL A 83 14.894 2.581 -5.250 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.785 2.469 -6.772 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.331 2.892 -4.825 1.00 0.00 C ATOM 0 H VAL A 83 12.152 3.144 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 83 14.208 3.810 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 83 14.619 1.617 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.486 1.716 -7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.770 2.179 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 83 15.021 3.432 -7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 83 17.001 2.131 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.621 3.870 -5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.396 2.897 -3.737 1.00 0.00 H new ATOM 1211 N GLN A 84 12.850 5.561 -5.671 1.00 0.00 N ATOM 1212 CA GLN A 84 12.783 6.837 -6.362 1.00 0.00 C ATOM 1213 C GLN A 84 12.021 7.860 -5.517 1.00 0.00 C ATOM 1214 O GLN A 84 10.942 7.566 -5.005 1.00 0.00 O ATOM 1215 CB GLN A 84 12.143 6.681 -7.743 1.00 0.00 C ATOM 1216 CG GLN A 84 11.791 8.044 -8.342 1.00 0.00 C ATOM 1217 CD GLN A 84 12.338 8.175 -9.765 1.00 0.00 C ATOM 1218 OE1 GLN A 84 13.426 7.724 -10.084 1.00 0.00 O ATOM 1219 NE2 GLN A 84 11.526 8.817 -10.600 1.00 0.00 N ATOM 0 H GLN A 84 11.946 5.181 -5.388 1.00 0.00 H new ATOM 0 HA GLN A 84 13.800 7.201 -6.508 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.828 6.154 -8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.243 6.071 -7.664 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.709 8.173 -8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.201 8.837 -7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.628 9.170 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.801 8.957 -11.572 1.00 0.00 H new ATOM 1228 N GLU A 85 12.611 9.040 -5.398 1.00 0.00 N ATOM 1229 CA GLU A 85 12.001 10.107 -4.624 1.00 0.00 C ATOM 1230 C GLU A 85 10.844 10.734 -5.405 1.00 0.00 C ATOM 1231 O GLU A 85 10.901 10.841 -6.629 1.00 0.00 O ATOM 1232 CB GLU A 85 13.036 11.164 -4.236 1.00 0.00 C ATOM 1233 CG GLU A 85 12.357 12.434 -3.719 1.00 0.00 C ATOM 1234 CD GLU A 85 13.388 13.524 -3.418 1.00 0.00 C ATOM 1235 OE1 GLU A 85 14.509 13.149 -3.013 1.00 0.00 O ATOM 1236 OE2 GLU A 85 13.031 14.708 -3.601 1.00 0.00 O ATOM 0 H GLU A 85 13.506 9.281 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 85 11.604 9.680 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.699 10.764 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.656 11.405 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.645 12.797 -4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.790 12.206 -2.817 1.00 0.00 H new ATOM 1243 N LEU A 86 9.820 11.133 -4.664 1.00 0.00 N ATOM 1244 CA LEU A 86 8.651 11.746 -5.272 1.00 0.00 C ATOM 1245 C LEU A 86 8.691 13.257 -5.034 1.00 0.00 C ATOM 1246 O LEU A 86 9.683 13.783 -4.531 1.00 0.00 O ATOM 1247 CB LEU A 86 7.371 11.078 -4.766 1.00 0.00 C ATOM 1248 CG LEU A 86 6.986 9.763 -5.447 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.562 9.348 -5.073 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.178 9.854 -6.962 1.00 0.00 C ATOM 0 H LEU A 86 9.776 11.044 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 86 8.658 11.592 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.480 10.892 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.546 11.781 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 86 7.654 8.982 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.314 8.410 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.493 9.215 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.863 10.122 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.897 8.906 -7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.551 10.651 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.223 10.070 -7.184 1.00 0.00 H new ATOM 1262 N LYS A 87 7.601 13.912 -5.406 1.00 0.00 N ATOM 1263 CA LYS A 87 7.500 15.352 -5.239 1.00 0.00 C ATOM 1264 C LYS A 87 6.059 15.718 -4.876 1.00 0.00 C ATOM 1265 O LYS A 87 5.170 14.870 -4.917 1.00 0.00 O ATOM 1266 CB LYS A 87 8.023 16.073 -6.483 1.00 0.00 C ATOM 1267 CG LYS A 87 9.396 16.695 -6.219 1.00 0.00 C ATOM 1268 CD LYS A 87 10.163 16.904 -7.526 1.00 0.00 C ATOM 1269 CE LYS A 87 9.960 18.324 -8.059 1.00 0.00 C ATOM 1270 NZ LYS A 87 10.872 18.586 -9.195 1.00 0.00 N ATOM 0 H LYS A 87 6.780 13.472 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 87 8.132 15.686 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.092 15.370 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.319 16.850 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.274 17.650 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.970 16.049 -5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.225 16.722 -7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.826 16.181 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.926 18.455 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.143 19.047 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.722 19.554 -9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.858 18.481 -8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.679 17.908 -9.959 1.00 0.00 H new ATOM 1284 N PRO A 88 5.869 17.017 -4.519 1.00 0.00 N ATOM 1285 CA PRO A 88 4.552 17.506 -4.148 1.00 0.00 C ATOM 1286 C PRO A 88 3.665 17.679 -5.383 1.00 0.00 C ATOM 1287 O PRO A 88 3.940 18.521 -6.236 1.00 0.00 O ATOM 1288 CB PRO A 88 4.810 18.812 -3.414 1.00 0.00 C ATOM 1289 CG PRO A 88 6.216 19.239 -3.804 1.00 0.00 C ATOM 1290 CD PRO A 88 6.899 18.049 -4.459 1.00 0.00 C ATOM 0 HA PRO A 88 4.007 16.808 -3.512 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.079 19.570 -3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.728 18.677 -2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.182 20.085 -4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.774 19.564 -2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.265 18.301 -5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.759 17.717 -3.878 1.00 0.00 H new ATOM 1298 N GLY A 89 2.617 16.869 -5.437 1.00 0.00 N ATOM 1299 CA GLY A 89 1.688 16.923 -6.553 1.00 0.00 C ATOM 1300 C GLY A 89 2.039 15.874 -7.610 1.00 0.00 C ATOM 1301 O GLY A 89 1.387 15.792 -8.649 1.00 0.00 O ATOM 0 H GLY A 89 2.391 16.173 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.672 16.757 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.709 17.917 -7.001 1.00 0.00 H new ATOM 1305 N LEU A 90 3.069 15.097 -7.307 1.00 0.00 N ATOM 1306 CA LEU A 90 3.515 14.057 -8.218 1.00 0.00 C ATOM 1307 C LEU A 90 2.670 12.799 -8.002 1.00 0.00 C ATOM 1308 O LEU A 90 1.773 12.787 -7.161 1.00 0.00 O ATOM 1309 CB LEU A 90 5.019 13.821 -8.067 1.00 0.00 C ATOM 1310 CG LEU A 90 5.776 13.473 -9.351 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.300 14.339 -10.519 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.288 13.574 -9.141 1.00 0.00 C ATOM 0 H LEU A 90 3.607 15.167 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 90 3.367 14.367 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.466 14.717 -7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.170 13.014 -7.350 1.00 0.00 H new ATOM 0 HG LEU A 90 5.556 12.437 -9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.854 14.072 -11.419 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.236 14.173 -10.685 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.471 15.390 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.802 13.322 -10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.547 14.591 -8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.594 12.881 -8.357 1.00 0.00 H new ATOM 1324 N SER A 91 2.987 11.772 -8.777 1.00 0.00 N ATOM 1325 CA SER A 91 2.269 10.513 -8.681 1.00 0.00 C ATOM 1326 C SER A 91 3.110 9.383 -9.279 1.00 0.00 C ATOM 1327 O SER A 91 3.652 9.521 -10.374 1.00 0.00 O ATOM 1328 CB SER A 91 0.914 10.596 -9.387 1.00 0.00 C ATOM 1329 OG SER A 91 0.638 11.912 -9.860 1.00 0.00 O ATOM 0 H SER A 91 3.731 11.786 -9.474 1.00 0.00 H new ATOM 0 HA SER A 91 2.087 10.303 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.898 9.899 -10.225 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.127 10.285 -8.699 1.00 0.00 H new ATOM 0 HG SER A 91 -0.235 11.923 -10.306 1.00 0.00 H new ATOM 1335 N GLY A 92 3.193 8.292 -8.532 1.00 0.00 N ATOM 1336 CA GLY A 92 3.959 7.139 -8.975 1.00 0.00 C ATOM 1337 C GLY A 92 3.140 5.853 -8.845 1.00 0.00 C ATOM 1338 O GLY A 92 1.935 5.903 -8.600 1.00 0.00 O ATOM 0 H GLY A 92 2.743 8.182 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.263 7.277 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.871 7.055 -8.384 1.00 0.00 H new ATOM 1342 N SER A 93 3.826 4.733 -9.016 1.00 0.00 N ATOM 1343 CA SER A 93 3.176 3.436 -8.921 1.00 0.00 C ATOM 1344 C SER A 93 4.007 2.498 -8.044 1.00 0.00 C ATOM 1345 O SER A 93 5.226 2.642 -7.955 1.00 0.00 O ATOM 1346 CB SER A 93 2.968 2.822 -10.307 1.00 0.00 C ATOM 1347 OG SER A 93 1.914 3.461 -11.021 1.00 0.00 O ATOM 0 H SER A 93 4.825 4.696 -9.220 1.00 0.00 H new ATOM 0 HA SER A 93 2.196 3.576 -8.465 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.892 2.898 -10.880 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.744 1.760 -10.203 1.00 0.00 H new ATOM 0 HG SER A 93 1.814 3.042 -11.901 1.00 0.00 H new ATOM 1353 N LEU A 94 3.316 1.557 -7.419 1.00 0.00 N ATOM 1354 CA LEU A 94 3.974 0.595 -6.552 1.00 0.00 C ATOM 1355 C LEU A 94 3.614 -0.822 -7.002 1.00 0.00 C ATOM 1356 O LEU A 94 2.447 -1.120 -7.253 1.00 0.00 O ATOM 1357 CB LEU A 94 3.640 0.878 -5.086 1.00 0.00 C ATOM 1358 CG LEU A 94 4.805 1.344 -4.210 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.597 2.785 -3.742 1.00 0.00 C ATOM 1360 CD2 LEU A 94 5.026 0.387 -3.037 1.00 0.00 C ATOM 0 H LEU A 94 2.306 1.440 -7.496 1.00 0.00 H new ATOM 0 HA LEU A 94 5.057 0.689 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.859 1.638 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.222 -0.028 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 94 5.713 1.329 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.439 3.091 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.527 3.442 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.676 2.850 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.859 0.741 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.124 0.346 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.252 -0.609 -3.418 1.00 0.00 H new ATOM 1372 N SER A 95 4.637 -1.659 -7.091 1.00 0.00 N ATOM 1373 CA SER A 95 4.443 -3.038 -7.507 1.00 0.00 C ATOM 1374 C SER A 95 4.400 -3.953 -6.282 1.00 0.00 C ATOM 1375 O SER A 95 4.691 -3.519 -5.169 1.00 0.00 O ATOM 1376 CB SER A 95 5.548 -3.485 -8.466 1.00 0.00 C ATOM 1377 OG SER A 95 5.504 -2.776 -9.701 1.00 0.00 O ATOM 0 H SER A 95 5.604 -1.409 -6.882 1.00 0.00 H new ATOM 0 HA SER A 95 3.492 -3.105 -8.036 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.519 -3.333 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.451 -4.554 -8.658 1.00 0.00 H new ATOM 0 HG SER A 95 6.226 -3.090 -10.284 1.00 0.00 H new ATOM 1383 N LEU A 96 4.034 -5.202 -6.529 1.00 0.00 N ATOM 1384 CA LEU A 96 3.949 -6.182 -5.460 1.00 0.00 C ATOM 1385 C LEU A 96 5.349 -6.442 -4.899 1.00 0.00 C ATOM 1386 O LEU A 96 6.146 -7.148 -5.514 1.00 0.00 O ATOM 1387 CB LEU A 96 3.237 -7.446 -5.946 1.00 0.00 C ATOM 1388 CG LEU A 96 1.811 -7.653 -5.432 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.203 -8.935 -6.004 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.771 -7.632 -3.903 1.00 0.00 C ATOM 0 H LEU A 96 3.793 -5.558 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 96 3.343 -5.798 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.210 -7.428 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.835 -8.310 -5.657 1.00 0.00 H new ATOM 0 HG LEU A 96 1.198 -6.822 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.189 -9.058 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.176 -8.871 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.810 -9.790 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.746 -7.781 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.403 -8.429 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.136 -6.670 -3.543 1.00 0.00 H new ATOM 1402 N GLY A 97 5.605 -5.856 -3.738 1.00 0.00 N ATOM 1403 CA GLY A 97 6.894 -6.015 -3.088 1.00 0.00 C ATOM 1404 C GLY A 97 7.590 -4.664 -2.912 1.00 0.00 C ATOM 1405 O GLY A 97 8.451 -4.513 -2.047 1.00 0.00 O ATOM 0 H GLY A 97 4.941 -5.270 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.759 -6.488 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.524 -6.678 -3.680 1.00 0.00 H new ATOM 1409 N ASP A 98 7.190 -3.715 -3.746 1.00 0.00 N ATOM 1410 CA ASP A 98 7.764 -2.381 -3.694 1.00 0.00 C ATOM 1411 C ASP A 98 7.479 -1.762 -2.324 1.00 0.00 C ATOM 1412 O ASP A 98 6.535 -2.159 -1.644 1.00 0.00 O ATOM 1413 CB ASP A 98 7.148 -1.474 -4.761 1.00 0.00 C ATOM 1414 CG ASP A 98 7.936 -1.387 -6.069 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.406 -2.453 -6.521 1.00 0.00 O ATOM 1416 OD2 ASP A 98 8.051 -0.255 -6.588 1.00 0.00 O ATOM 0 H ASP A 98 6.475 -3.844 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 98 8.836 -2.468 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.142 -1.831 -4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.046 -0.470 -4.348 1.00 0.00 H new ATOM 1421 N VAL A 99 8.313 -0.798 -1.961 1.00 0.00 N ATOM 1422 CA VAL A 99 8.163 -0.120 -0.685 1.00 0.00 C ATOM 1423 C VAL A 99 7.625 1.292 -0.923 1.00 0.00 C ATOM 1424 O VAL A 99 7.738 1.826 -2.026 1.00 0.00 O ATOM 1425 CB VAL A 99 9.491 -0.133 0.074 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.408 0.723 1.339 1.00 0.00 C ATOM 1427 CG2 VAL A 99 9.917 -1.564 0.408 1.00 0.00 C ATOM 0 H VAL A 99 9.095 -0.471 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 99 7.440 -0.642 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 99 10.252 0.301 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.365 0.696 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.171 1.752 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.628 0.332 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.864 -1.545 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.155 -2.035 1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.036 -2.133 -0.514 1.00 0.00 H new ATOM 1437 N LEU A 100 7.051 1.858 0.128 1.00 0.00 N ATOM 1438 CA LEU A 100 6.495 3.198 0.047 1.00 0.00 C ATOM 1439 C LEU A 100 6.792 3.948 1.347 1.00 0.00 C ATOM 1440 O LEU A 100 5.958 3.989 2.249 1.00 0.00 O ATOM 1441 CB LEU A 100 5.006 3.140 -0.303 1.00 0.00 C ATOM 1442 CG LEU A 100 4.246 4.465 -0.217 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.878 5.520 -1.126 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.759 4.264 -0.519 1.00 0.00 C ATOM 0 H LEU A 100 6.959 1.413 1.041 1.00 0.00 H new ATOM 0 HA LEU A 100 6.967 3.758 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.906 2.751 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.524 2.423 0.362 1.00 0.00 H new ATOM 0 HG LEU A 100 4.320 4.836 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.318 6.452 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.911 5.690 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.856 5.171 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.241 5.221 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.643 3.859 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.332 3.568 0.203 1.00 0.00 H new ATOM 1456 N TYR A 101 7.985 4.524 1.401 1.00 0.00 N ATOM 1457 CA TYR A 101 8.403 5.271 2.575 1.00 0.00 C ATOM 1458 C TYR A 101 7.460 6.446 2.841 1.00 0.00 C ATOM 1459 O TYR A 101 7.573 7.493 2.205 1.00 0.00 O ATOM 1460 CB TYR A 101 9.797 5.813 2.255 1.00 0.00 C ATOM 1461 CG TYR A 101 10.858 4.727 2.062 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.465 4.152 3.159 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.207 4.323 0.789 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.463 3.130 2.977 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.205 3.301 0.607 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.784 2.755 1.710 1.00 0.00 C ATOM 1467 OH TYR A 101 13.727 1.790 1.537 1.00 0.00 O ATOM 0 H TYR A 101 8.675 4.488 0.650 1.00 0.00 H new ATOM 0 HA TYR A 101 8.395 4.633 3.459 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.742 6.417 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.112 6.475 3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.192 4.468 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.732 4.773 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 101 12.946 2.672 3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.487 2.975 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 101 13.853 1.624 0.579 1.00 0.00 H new ATOM 1477 N LEU A 102 6.552 6.234 3.783 1.00 0.00 N ATOM 1478 CA LEU A 102 5.591 7.262 4.141 1.00 0.00 C ATOM 1479 C LEU A 102 6.275 8.630 4.100 1.00 0.00 C ATOM 1480 O LEU A 102 5.847 9.520 3.366 1.00 0.00 O ATOM 1481 CB LEU A 102 4.939 6.941 5.487 1.00 0.00 C ATOM 1482 CG LEU A 102 3.418 6.779 5.475 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.006 5.424 6.054 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.736 7.943 6.198 1.00 0.00 C ATOM 0 H LEU A 102 6.462 5.365 4.309 1.00 0.00 H new ATOM 0 HA LEU A 102 4.776 7.290 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.379 6.021 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.194 7.734 6.190 1.00 0.00 H new ATOM 0 HG LEU A 102 3.081 6.802 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.920 5.335 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.447 4.625 5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.357 5.346 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.655 7.803 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.075 7.977 7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.991 8.879 5.702 1.00 0.00 H new ATOM 1496 N VAL A 103 7.327 8.755 4.896 1.00 0.00 N ATOM 1497 CA VAL A 103 8.074 9.999 4.960 1.00 0.00 C ATOM 1498 C VAL A 103 9.433 9.740 5.613 1.00 0.00 C ATOM 1499 O VAL A 103 9.688 8.644 6.111 1.00 0.00 O ATOM 1500 CB VAL A 103 7.254 11.065 5.688 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.078 10.707 7.166 1.00 0.00 C ATOM 1502 CG2 VAL A 103 7.890 12.448 5.531 1.00 0.00 C ATOM 0 H VAL A 103 7.680 8.014 5.502 1.00 0.00 H new ATOM 0 HA VAL A 103 8.263 10.383 3.957 1.00 0.00 H new ATOM 0 HB VAL A 103 6.265 11.097 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.491 11.481 7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.561 9.751 7.250 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.056 10.633 7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.287 13.188 6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.896 12.435 5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.940 12.708 4.474 1.00 0.00 H new ATOM 1512 N ASN A 104 10.271 10.766 5.590 1.00 0.00 N ATOM 1513 CA ASN A 104 11.597 10.663 6.174 1.00 0.00 C ATOM 1514 C ASN A 104 12.219 9.321 5.783 1.00 0.00 C ATOM 1515 O ASN A 104 12.893 8.686 6.593 1.00 0.00 O ATOM 1516 CB ASN A 104 11.533 10.728 7.701 1.00 0.00 C ATOM 1517 CG ASN A 104 12.465 11.814 8.243 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.619 11.576 8.560 1.00 0.00 O ATOM 1519 ND2 ASN A 104 11.902 13.016 8.331 1.00 0.00 N ATOM 0 H ASN A 104 10.057 11.673 5.176 1.00 0.00 H new ATOM 0 HA ASN A 104 12.195 11.496 5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.510 10.931 8.017 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.811 9.762 8.122 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.442 13.808 8.681 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.931 13.146 8.048 1.00 0.00 H new ATOM 1526 N GLY A 105 11.969 8.928 4.543 1.00 0.00 N ATOM 1527 CA GLY A 105 12.496 7.672 4.035 1.00 0.00 C ATOM 1528 C GLY A 105 12.329 6.552 5.064 1.00 0.00 C ATOM 1529 O GLY A 105 13.070 5.570 5.043 1.00 0.00 O ATOM 0 H GLY A 105 11.409 9.457 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.981 7.404 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.551 7.789 3.788 1.00 0.00 H new ATOM 1533 N LEU A 106 11.351 6.736 5.939 1.00 0.00 N ATOM 1534 CA LEU A 106 11.078 5.753 6.973 1.00 0.00 C ATOM 1535 C LEU A 106 9.650 5.229 6.808 1.00 0.00 C ATOM 1536 O LEU A 106 8.988 5.523 5.814 1.00 0.00 O ATOM 1537 CB LEU A 106 11.361 6.340 8.358 1.00 0.00 C ATOM 1538 CG LEU A 106 12.835 6.434 8.758 1.00 0.00 C ATOM 1539 CD1 LEU A 106 12.984 7.005 10.170 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.530 5.079 8.611 1.00 0.00 C ATOM 0 H LEU A 106 10.738 7.551 5.953 1.00 0.00 H new ATOM 0 HA LEU A 106 11.746 4.898 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.928 7.340 8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.841 5.734 9.101 1.00 0.00 H new ATOM 0 HG LEU A 106 13.331 7.126 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.041 7.061 10.430 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.548 8.003 10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.470 6.358 10.880 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.576 5.173 8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.040 4.347 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.470 4.750 7.574 1.00 0.00 H new ATOM 1552 N TYR A 107 9.218 4.461 7.797 1.00 0.00 N ATOM 1553 CA TYR A 107 7.881 3.892 7.774 1.00 0.00 C ATOM 1554 C TYR A 107 7.531 3.371 6.378 1.00 0.00 C ATOM 1555 O TYR A 107 6.572 3.832 5.762 1.00 0.00 O ATOM 1556 CB TYR A 107 6.930 5.037 8.130 1.00 0.00 C ATOM 1557 CG TYR A 107 7.484 6.002 9.180 1.00 0.00 C ATOM 1558 CD1 TYR A 107 7.876 5.527 10.415 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.591 7.347 8.892 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.397 6.436 11.404 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.112 8.256 9.881 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.490 7.755 11.087 1.00 0.00 C ATOM 1563 OH TYR A 107 8.982 8.613 12.021 1.00 0.00 O ATOM 0 H TYR A 107 9.770 4.219 8.620 1.00 0.00 H new ATOM 0 HA TYR A 107 7.808 3.055 8.469 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.696 5.597 7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 107 5.993 4.617 8.496 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.792 4.474 10.640 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.284 7.718 7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.707 6.078 12.375 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.200 9.311 9.669 1.00 0.00 H new ATOM 0 HH TYR A 107 8.992 9.523 11.657 1.00 0.00 H new ATOM 1573 N PRO A 108 8.349 2.391 5.910 1.00 0.00 N ATOM 1574 CA PRO A 108 8.136 1.801 4.599 1.00 0.00 C ATOM 1575 C PRO A 108 6.942 0.845 4.615 1.00 0.00 C ATOM 1576 O PRO A 108 6.824 0.009 5.510 1.00 0.00 O ATOM 1577 CB PRO A 108 9.447 1.110 4.261 1.00 0.00 C ATOM 1578 CG PRO A 108 10.181 0.940 5.581 1.00 0.00 C ATOM 1579 CD PRO A 108 9.494 1.820 6.613 1.00 0.00 C ATOM 0 HA PRO A 108 7.885 2.542 3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.269 0.145 3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.034 1.706 3.562 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.163 -0.103 5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.228 1.223 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.177 1.240 7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.163 2.599 6.978 1.00 0.00 H new ATOM 1587 N LEU A 109 6.087 0.999 3.615 1.00 0.00 N ATOM 1588 CA LEU A 109 4.906 0.160 3.503 1.00 0.00 C ATOM 1589 C LEU A 109 5.047 -0.751 2.282 1.00 0.00 C ATOM 1590 O LEU A 109 4.877 -0.305 1.148 1.00 0.00 O ATOM 1591 CB LEU A 109 3.639 1.016 3.489 1.00 0.00 C ATOM 1592 CG LEU A 109 3.221 1.619 4.832 1.00 0.00 C ATOM 1593 CD1 LEU A 109 2.975 0.523 5.871 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.246 2.647 5.314 1.00 0.00 C ATOM 0 H LEU A 109 6.189 1.693 2.874 1.00 0.00 H new ATOM 0 HA LEU A 109 4.815 -0.487 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.782 1.829 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.817 0.406 3.116 1.00 0.00 H new ATOM 0 HG LEU A 109 2.278 2.147 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.679 0.978 6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.181 -0.138 5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.889 -0.053 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.925 3.060 6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.216 2.165 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.328 3.450 4.581 1.00 0.00 H new ATOM 1606 N THR A 110 5.357 -2.010 2.555 1.00 0.00 N ATOM 1607 CA THR A 110 5.522 -2.987 1.492 1.00 0.00 C ATOM 1608 C THR A 110 4.158 -3.459 0.984 1.00 0.00 C ATOM 1609 O THR A 110 3.303 -3.861 1.772 1.00 0.00 O ATOM 1610 CB THR A 110 6.398 -4.123 2.026 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.712 -3.573 2.034 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.490 -5.298 1.052 1.00 0.00 C ATOM 0 H THR A 110 5.498 -2.376 3.497 1.00 0.00 H new ATOM 0 HA THR A 110 6.022 -2.550 0.628 1.00 0.00 H new ATOM 0 HB THR A 110 5.999 -4.473 2.978 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.345 -4.242 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.123 -6.076 1.479 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.493 -5.700 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.920 -4.957 0.110 1.00 0.00 H new ATOM 1620 N LEU A 111 3.997 -3.394 -0.330 1.00 0.00 N ATOM 1621 CA LEU A 111 2.752 -3.809 -0.952 1.00 0.00 C ATOM 1622 C LEU A 111 2.716 -5.336 -1.042 1.00 0.00 C ATOM 1623 O LEU A 111 3.714 -5.964 -1.391 1.00 0.00 O ATOM 1624 CB LEU A 111 2.567 -3.109 -2.300 1.00 0.00 C ATOM 1625 CG LEU A 111 1.426 -3.631 -3.176 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.094 -3.583 -2.426 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.364 -2.873 -4.504 1.00 0.00 C ATOM 0 H LEU A 111 4.708 -3.060 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 111 1.902 -3.505 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.401 -2.048 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.497 -3.193 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 111 1.626 -4.676 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.700 -3.959 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.158 -4.201 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.126 -2.554 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.545 -3.263 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.199 -1.813 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.304 -3.002 -5.041 1.00 0.00 H new ATOM 1639 N ARG A 112 1.555 -5.889 -0.722 1.00 0.00 N ATOM 1640 CA ARG A 112 1.376 -7.330 -0.762 1.00 0.00 C ATOM 1641 C ARG A 112 0.048 -7.681 -1.436 1.00 0.00 C ATOM 1642 O ARG A 112 -0.732 -6.794 -1.778 1.00 0.00 O ATOM 1643 CB ARG A 112 1.400 -7.928 0.646 1.00 0.00 C ATOM 1644 CG ARG A 112 2.820 -7.934 1.216 1.00 0.00 C ATOM 1645 CD ARG A 112 3.677 -9.006 0.540 1.00 0.00 C ATOM 1646 NE ARG A 112 5.112 -8.731 0.776 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.104 -9.554 0.411 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.824 -10.708 -0.209 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.377 -9.222 0.666 1.00 0.00 N ATOM 0 H ARG A 112 0.729 -5.365 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 112 2.201 -7.751 -1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.744 -7.353 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.011 -8.946 0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.277 -6.955 1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.784 -8.116 2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.418 -9.990 0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.473 -9.024 -0.531 1.00 0.00 H new ATOM 0 HE ARG A 112 5.361 -7.861 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.855 -10.960 -0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.580 -11.334 -0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.590 -8.343 1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.133 -9.848 0.388 1.00 0.00 H new ATOM 1663 N TRP A 113 -0.168 -8.978 -1.606 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.388 -9.457 -2.232 1.00 0.00 C ATOM 1665 C TRP A 113 -1.738 -10.811 -1.611 1.00 0.00 C ATOM 1666 O TRP A 113 -0.900 -11.710 -1.560 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.235 -9.519 -3.753 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.221 -10.468 -4.439 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.225 -11.808 -4.421 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.353 -10.091 -5.250 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.273 -12.320 -5.158 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.981 -11.243 -5.679 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.832 -8.819 -5.610 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -5.122 -11.238 -6.490 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.973 -8.831 -6.422 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.616 -9.982 -6.861 1.00 0.00 C ATOM 0 H TRP A 113 0.482 -9.711 -1.321 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.212 -8.767 -2.050 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.366 -8.517 -4.162 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.219 -9.831 -3.993 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.499 -12.411 -3.896 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.489 -13.307 -5.295 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.357 -7.905 -5.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.595 -12.154 -6.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.382 -7.879 -6.728 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.494 -9.908 -7.486 1.00 0.00 H new ATOM 1687 N SER A 114 -2.978 -10.913 -1.153 1.00 0.00 N ATOM 1688 CA SER A 114 -3.449 -12.141 -0.537 1.00 0.00 C ATOM 1689 C SER A 114 -3.642 -13.221 -1.604 1.00 0.00 C ATOM 1690 O SER A 114 -3.852 -12.911 -2.776 1.00 0.00 O ATOM 1691 CB SER A 114 -4.754 -11.909 0.226 1.00 0.00 C ATOM 1692 OG SER A 114 -5.415 -13.133 0.538 1.00 0.00 O ATOM 0 H SER A 114 -3.670 -10.165 -1.197 1.00 0.00 H new ATOM 0 HA SER A 114 -2.697 -12.476 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.544 -11.366 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.416 -11.281 -0.370 1.00 0.00 H new ATOM 0 HG SER A 114 -6.243 -12.942 1.026 1.00 0.00 H new ATOM 1698 N GLY A 115 -3.565 -14.467 -1.160 1.00 0.00 N ATOM 1699 CA GLY A 115 -3.729 -15.594 -2.062 1.00 0.00 C ATOM 1700 C GLY A 115 -4.006 -16.883 -1.285 1.00 0.00 C ATOM 1701 O GLY A 115 -3.839 -16.925 -0.067 1.00 0.00 O ATOM 0 H GLY A 115 -3.391 -14.721 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.551 -15.397 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.829 -15.715 -2.666 1.00 0.00 H new ATOM 1705 N PRO A 116 -4.435 -17.929 -2.040 1.00 0.00 N ATOM 1706 CA PRO A 116 -4.737 -19.215 -1.435 1.00 0.00 C ATOM 1707 C PRO A 116 -3.453 -19.962 -1.068 1.00 0.00 C ATOM 1708 O PRO A 116 -2.461 -19.893 -1.792 1.00 0.00 O ATOM 1709 CB PRO A 116 -5.576 -19.949 -2.468 1.00 0.00 C ATOM 1710 CG PRO A 116 -5.325 -19.240 -3.789 1.00 0.00 C ATOM 1711 CD PRO A 116 -4.644 -17.915 -3.485 1.00 0.00 C ATOM 0 HA PRO A 116 -5.280 -19.121 -0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -5.291 -20.999 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.633 -19.921 -2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.698 -19.852 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.264 -19.074 -4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.699 -17.823 -4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.265 -17.072 -3.787 1.00 0.00 H new ATOM 1719 N SER A 117 -3.514 -20.660 0.057 1.00 0.00 N ATOM 1720 CA SER A 117 -2.368 -21.419 0.529 1.00 0.00 C ATOM 1721 C SER A 117 -1.290 -20.469 1.052 1.00 0.00 C ATOM 1722 O SER A 117 -1.032 -20.417 2.254 1.00 0.00 O ATOM 1723 CB SER A 117 -1.801 -22.307 -0.580 1.00 0.00 C ATOM 1724 OG SER A 117 -2.822 -23.036 -1.255 1.00 0.00 O ATOM 0 H SER A 117 -4.339 -20.716 0.655 1.00 0.00 H new ATOM 0 HA SER A 117 -2.698 -22.066 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.261 -21.690 -1.298 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.080 -23.004 -0.153 1.00 0.00 H new ATOM 0 HG SER A 117 -2.420 -23.589 -1.957 1.00 0.00 H new ATOM 1730 N SER A 118 -0.688 -19.740 0.124 1.00 0.00 N ATOM 1731 CA SER A 118 0.357 -18.794 0.477 1.00 0.00 C ATOM 1732 C SER A 118 1.649 -19.542 0.811 1.00 0.00 C ATOM 1733 O SER A 118 1.929 -19.815 1.977 1.00 0.00 O ATOM 1734 CB SER A 118 -0.068 -17.917 1.656 1.00 0.00 C ATOM 1735 OG SER A 118 0.483 -16.605 1.572 1.00 0.00 O ATOM 0 H SER A 118 -0.904 -19.785 -0.872 1.00 0.00 H new ATOM 0 HA SER A 118 0.532 -18.143 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.156 -17.852 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.249 -18.384 2.588 1.00 0.00 H new ATOM 0 HG SER A 118 0.187 -16.076 2.342 1.00 0.00 H new ATOM 1741 N GLY A 119 2.403 -19.852 -0.234 1.00 0.00 N ATOM 1742 CA GLY A 119 3.659 -20.563 -0.066 1.00 0.00 C ATOM 1743 C GLY A 119 4.199 -21.048 -1.413 1.00 0.00 C ATOM 1744 O GLY A 119 5.407 -21.030 -1.644 1.00 0.00 O ATOM 0 H GLY A 119 2.168 -19.624 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.390 -19.909 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.513 -21.414 0.599 1.00 0.00 H new TER 1748 GLY A 119