USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 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 36 HIS : no HD1:sc= -0.196 X(o=-0.2,f=0) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0802 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 49:sc= 0.403 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 120:sc= -0.0275 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -40:sc= 0.77 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -108:sc= -1.07 (180deg=-4.95!) USER MOD Single : A 37 ASN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.77 K(o=-0.77,f=-4.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 54 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.271 23.226 -1.899 1.00 0.00 N ATOM 2 CA GLY A 1 -20.852 23.503 -2.021 1.00 0.00 C ATOM 3 C GLY A 1 -20.100 22.384 -2.716 1.00 0.00 C ATOM 4 O GLY A 1 -20.647 21.304 -2.937 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.800 23.824 -2.566 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.449 22.224 -2.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.583 23.431 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.712 24.430 -2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.429 23.659 -1.029 1.00 0.00 H new ATOM 8 N SER A 2 -18.844 22.644 -3.063 1.00 0.00 N ATOM 9 CA SER A 2 -18.018 21.653 -3.742 1.00 0.00 C ATOM 10 C SER A 2 -17.608 20.539 -2.783 1.00 0.00 C ATOM 11 O SER A 2 -17.479 20.758 -1.579 1.00 0.00 O ATOM 12 CB SER A 2 -16.773 22.315 -4.335 1.00 0.00 C ATOM 13 OG SER A 2 -15.961 22.877 -3.318 1.00 0.00 O ATOM 0 H SER A 2 -18.376 23.533 -2.885 1.00 0.00 H new ATOM 0 HA SER A 2 -18.607 21.216 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.199 21.579 -4.898 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.071 23.093 -5.038 1.00 0.00 H new ATOM 0 HG SER A 2 -15.171 23.292 -3.722 1.00 0.00 H new ATOM 19 N SER A 3 -17.404 19.343 -3.327 1.00 0.00 N ATOM 20 CA SER A 3 -17.013 18.193 -2.521 1.00 0.00 C ATOM 21 C SER A 3 -15.516 17.927 -2.645 1.00 0.00 C ATOM 22 O SER A 3 -14.930 18.098 -3.714 1.00 0.00 O ATOM 23 CB SER A 3 -17.800 16.953 -2.947 1.00 0.00 C ATOM 24 OG SER A 3 -19.195 17.168 -2.827 1.00 0.00 O ATOM 0 H SER A 3 -17.503 19.146 -4.323 1.00 0.00 H new ATOM 0 HA SER A 3 -17.240 18.417 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.555 16.700 -3.979 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.506 16.103 -2.332 1.00 0.00 H new ATOM 0 HG SER A 3 -19.676 16.361 -3.107 1.00 0.00 H new ATOM 30 N GLY A 4 -14.902 17.507 -1.543 1.00 0.00 N ATOM 31 CA GLY A 4 -13.478 17.224 -1.549 1.00 0.00 C ATOM 32 C GLY A 4 -13.160 15.867 -2.145 1.00 0.00 C ATOM 33 O GLY A 4 -13.748 14.858 -1.759 1.00 0.00 O ATOM 0 H GLY A 4 -15.365 17.358 -0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.959 17.997 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.098 17.268 -0.528 1.00 0.00 H new ATOM 37 N SER A 5 -12.226 15.843 -3.091 1.00 0.00 N ATOM 38 CA SER A 5 -11.834 14.601 -3.747 1.00 0.00 C ATOM 39 C SER A 5 -11.180 13.646 -2.754 1.00 0.00 C ATOM 40 O SER A 5 -9.956 13.611 -2.623 1.00 0.00 O ATOM 41 CB SER A 5 -10.873 14.891 -4.902 1.00 0.00 C ATOM 42 OG SER A 5 -9.773 15.670 -4.467 1.00 0.00 O ATOM 0 H SER A 5 -11.727 16.669 -3.420 1.00 0.00 H new ATOM 0 HA SER A 5 -12.733 14.128 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.514 13.953 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.403 15.416 -5.697 1.00 0.00 H new ATOM 0 HG SER A 5 -9.393 15.275 -3.654 1.00 0.00 H new ATOM 48 N SER A 6 -12.005 12.872 -2.056 1.00 0.00 N ATOM 49 CA SER A 6 -11.508 11.918 -1.071 1.00 0.00 C ATOM 50 C SER A 6 -11.003 10.649 -1.751 1.00 0.00 C ATOM 51 O SER A 6 -11.776 9.902 -2.349 1.00 0.00 O ATOM 52 CB SER A 6 -12.609 11.569 -0.068 1.00 0.00 C ATOM 53 OG SER A 6 -12.135 10.665 0.916 1.00 0.00 O ATOM 0 H SER A 6 -13.020 12.887 -2.154 1.00 0.00 H new ATOM 0 HA SER A 6 -10.676 12.381 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.969 12.479 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.457 11.129 -0.593 1.00 0.00 H new ATOM 0 HG SER A 6 -12.857 10.459 1.546 1.00 0.00 H new ATOM 59 N GLY A 7 -9.698 10.412 -1.653 1.00 0.00 N ATOM 60 CA GLY A 7 -9.110 9.234 -2.263 1.00 0.00 C ATOM 61 C GLY A 7 -7.634 9.410 -2.561 1.00 0.00 C ATOM 62 O GLY A 7 -7.246 9.603 -3.713 1.00 0.00 O ATOM 0 H GLY A 7 -9.038 11.015 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.244 8.380 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.639 9.005 -3.188 1.00 0.00 H new ATOM 66 N ARG A 8 -6.810 9.345 -1.520 1.00 0.00 N ATOM 67 CA ARG A 8 -5.369 9.501 -1.676 1.00 0.00 C ATOM 68 C ARG A 8 -4.793 8.391 -2.551 1.00 0.00 C ATOM 69 O ARG A 8 -5.332 7.286 -2.603 1.00 0.00 O ATOM 70 CB ARG A 8 -4.683 9.495 -0.309 1.00 0.00 C ATOM 71 CG ARG A 8 -3.335 10.196 -0.301 1.00 0.00 C ATOM 72 CD ARG A 8 -2.398 9.591 0.733 1.00 0.00 C ATOM 73 NE ARG A 8 -1.319 10.505 1.096 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.340 10.852 0.268 1.00 0.00 C ATOM 75 NH1 ARG A 8 -0.305 10.364 -0.965 1.00 0.00 N ATOM 76 NH2 ARG A 8 0.607 11.690 0.672 1.00 0.00 N ATOM 0 H ARG A 8 -7.116 9.185 -0.560 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.183 10.458 -2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.337 9.976 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.548 8.463 0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.881 10.126 -1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.476 11.256 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.965 9.327 1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.973 8.667 0.341 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.317 10.899 2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.031 9.720 -1.280 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.448 10.632 -1.599 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.583 12.068 1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.358 11.956 0.035 1.00 0.00 H new ATOM 90 N ARG A 9 -3.696 8.695 -3.236 1.00 0.00 N ATOM 91 CA ARG A 9 -3.048 7.724 -4.110 1.00 0.00 C ATOM 92 C ARG A 9 -1.622 7.440 -3.644 1.00 0.00 C ATOM 93 O ARG A 9 -0.829 8.360 -3.443 1.00 0.00 O ATOM 94 CB ARG A 9 -3.032 8.234 -5.552 1.00 0.00 C ATOM 95 CG ARG A 9 -4.295 7.899 -6.330 1.00 0.00 C ATOM 96 CD ARG A 9 -4.019 7.799 -7.822 1.00 0.00 C ATOM 97 NE ARG A 9 -4.115 9.097 -8.485 1.00 0.00 N ATOM 98 CZ ARG A 9 -5.241 9.798 -8.569 1.00 0.00 C ATOM 99 NH1 ARG A 9 -6.360 9.328 -8.035 1.00 0.00 N ATOM 100 NH2 ARG A 9 -5.249 10.971 -9.188 1.00 0.00 N ATOM 0 H ARG A 9 -3.237 9.605 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.618 6.796 -4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.896 9.315 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.173 7.808 -6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.706 6.955 -5.971 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.049 8.665 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.023 7.384 -7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.728 7.107 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.272 9.487 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.358 8.426 -7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.223 9.868 -8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.390 11.336 -9.600 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.114 11.508 -9.252 1.00 0.00 H new ATOM 114 N VAL A 10 -1.305 6.160 -3.475 1.00 0.00 N ATOM 115 CA VAL A 10 0.025 5.755 -3.034 1.00 0.00 C ATOM 116 C VAL A 10 0.546 4.587 -3.863 1.00 0.00 C ATOM 117 O VAL A 10 -0.207 3.949 -4.598 1.00 0.00 O ATOM 118 CB VAL A 10 0.025 5.354 -1.547 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.003 6.591 -0.661 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.154 4.443 -1.241 1.00 0.00 C ATOM 0 H VAL A 10 -1.950 5.387 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 10 0.680 6.616 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 10 0.943 4.805 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.003 6.289 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.876 7.203 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.903 7.169 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.138 4.170 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.084 4.964 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.085 3.542 -1.850 1.00 0.00 H new ATOM 130 N ARG A 11 1.841 4.312 -3.740 1.00 0.00 N ATOM 131 CA ARG A 11 2.464 3.221 -4.479 1.00 0.00 C ATOM 132 C ARG A 11 3.410 2.428 -3.582 1.00 0.00 C ATOM 133 O ARG A 11 4.089 2.993 -2.725 1.00 0.00 O ATOM 134 CB ARG A 11 3.226 3.765 -5.688 1.00 0.00 C ATOM 135 CG ARG A 11 4.180 2.758 -6.310 1.00 0.00 C ATOM 136 CD ARG A 11 5.126 3.424 -7.297 1.00 0.00 C ATOM 137 NE ARG A 11 6.413 2.738 -7.369 1.00 0.00 N ATOM 138 CZ ARG A 11 7.410 3.126 -8.157 1.00 0.00 C ATOM 139 NH1 ARG A 11 7.269 4.190 -8.935 1.00 0.00 N ATOM 140 NH2 ARG A 11 8.552 2.449 -8.167 1.00 0.00 N ATOM 0 H ARG A 11 2.479 4.830 -3.135 1.00 0.00 H new ATOM 0 HA ARG A 11 1.675 2.554 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.509 4.088 -6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.790 4.647 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.757 2.268 -5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.610 1.981 -6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.667 3.439 -8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.284 4.462 -7.004 1.00 0.00 H new ATOM 0 HE ARG A 11 6.554 1.916 -6.782 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.393 4.713 -8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.036 4.486 -9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.665 1.630 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.317 2.748 -8.772 1.00 0.00 H new ATOM 154 N ALA A 12 3.450 1.115 -3.786 1.00 0.00 N ATOM 155 CA ALA A 12 4.313 0.245 -2.998 1.00 0.00 C ATOM 156 C ALA A 12 5.727 0.211 -3.569 1.00 0.00 C ATOM 157 O ALA A 12 5.999 -0.504 -4.534 1.00 0.00 O ATOM 158 CB ALA A 12 3.733 -1.160 -2.936 1.00 0.00 C ATOM 0 H ALA A 12 2.894 0.631 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 12 4.367 0.648 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.389 -1.799 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.746 -1.126 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.648 -1.563 -3.945 1.00 0.00 H new ATOM 164 N ILE A 13 6.622 0.987 -2.968 1.00 0.00 N ATOM 165 CA ILE A 13 8.007 1.045 -3.418 1.00 0.00 C ATOM 166 C ILE A 13 8.671 -0.325 -3.330 1.00 0.00 C ATOM 167 O ILE A 13 9.684 -0.580 -3.983 1.00 0.00 O ATOM 168 CB ILE A 13 8.826 2.054 -2.590 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.844 1.642 -1.117 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.255 3.455 -2.748 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.977 2.264 -0.330 1.00 0.00 C ATOM 0 H ILE A 13 6.413 1.584 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 13 7.988 1.371 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 13 9.852 2.058 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.896 1.923 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.920 0.557 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.844 4.157 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.290 3.746 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.221 3.468 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.928 1.928 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.930 1.963 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.890 3.350 -0.364 1.00 0.00 H new ATOM 183 N LEU A 14 8.093 -1.205 -2.520 1.00 0.00 N ATOM 184 CA LEU A 14 8.627 -2.552 -2.347 1.00 0.00 C ATOM 185 C LEU A 14 7.501 -3.567 -2.181 1.00 0.00 C ATOM 186 O LEU A 14 6.387 -3.234 -1.777 1.00 0.00 O ATOM 187 CB LEU A 14 9.558 -2.601 -1.134 1.00 0.00 C ATOM 188 CG LEU A 14 10.984 -2.098 -1.362 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.693 -1.886 -0.033 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.761 -3.074 -2.233 1.00 0.00 C ATOM 0 H LEU A 14 7.255 -1.010 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 14 9.193 -2.810 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.110 -2.012 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.609 -3.631 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 14 10.933 -1.141 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.706 -1.528 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.148 -1.149 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.733 -2.829 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.773 -2.700 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.803 -4.046 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.264 -3.176 -3.198 1.00 0.00 H new ATOM 202 N PRO A 15 7.797 -4.837 -2.496 1.00 0.00 N ATOM 203 CA PRO A 15 6.824 -5.927 -2.386 1.00 0.00 C ATOM 204 C PRO A 15 6.489 -6.262 -0.936 1.00 0.00 C ATOM 205 O PRO A 15 7.150 -5.790 -0.012 1.00 0.00 O ATOM 206 CB PRO A 15 7.534 -7.106 -3.057 1.00 0.00 C ATOM 207 CG PRO A 15 8.986 -6.803 -2.915 1.00 0.00 C ATOM 208 CD PRO A 15 9.105 -5.306 -2.983 1.00 0.00 C ATOM 0 HA PRO A 15 5.870 -5.669 -2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.277 -8.049 -2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.249 -7.196 -4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.373 -7.183 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.563 -7.277 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.921 -4.939 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.301 -4.964 -3.999 1.00 0.00 H new ATOM 216 N TYR A 16 5.460 -7.079 -0.746 1.00 0.00 N ATOM 217 CA TYR A 16 5.036 -7.476 0.592 1.00 0.00 C ATOM 218 C TYR A 16 4.236 -8.774 0.548 1.00 0.00 C ATOM 219 O TYR A 16 3.426 -8.989 -0.354 1.00 0.00 O ATOM 220 CB TYR A 16 4.198 -6.369 1.233 1.00 0.00 C ATOM 221 CG TYR A 16 3.564 -6.772 2.545 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.334 -6.934 3.691 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.195 -6.992 2.640 1.00 0.00 C ATOM 224 CE1 TYR A 16 3.760 -7.303 4.892 1.00 0.00 C ATOM 225 CE2 TYR A 16 1.612 -7.360 3.837 1.00 0.00 C ATOM 226 CZ TYR A 16 2.398 -7.514 4.960 1.00 0.00 C ATOM 227 OH TYR A 16 1.821 -7.882 6.154 1.00 0.00 O ATOM 0 H TYR A 16 4.904 -7.480 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 16 5.929 -7.642 1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.829 -5.496 1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.414 -6.069 0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.400 -6.768 3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.576 -6.873 1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.373 -7.426 5.772 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.546 -7.526 3.893 1.00 0.00 H new ATOM 0 HH TYR A 16 1.160 -7.209 6.419 1.00 0.00 H new ATOM 237 N THR A 17 4.469 -9.639 1.531 1.00 0.00 N ATOM 238 CA THR A 17 3.772 -10.916 1.606 1.00 0.00 C ATOM 239 C THR A 17 2.665 -10.878 2.654 1.00 0.00 C ATOM 240 O THR A 17 2.904 -11.131 3.835 1.00 0.00 O ATOM 241 CB THR A 17 4.741 -12.066 1.941 1.00 0.00 C ATOM 242 OG1 THR A 17 5.796 -12.114 0.975 1.00 0.00 O ATOM 243 CG2 THR A 17 4.009 -13.399 1.968 1.00 0.00 C ATOM 0 H THR A 17 5.135 -9.477 2.286 1.00 0.00 H new ATOM 0 HA THR A 17 3.333 -11.094 0.624 1.00 0.00 H new ATOM 0 HB THR A 17 5.162 -11.881 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.409 -12.846 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.713 -14.196 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.225 -13.369 2.725 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.563 -13.589 0.992 1.00 0.00 H new ATOM 251 N LYS A 18 1.452 -10.560 2.214 1.00 0.00 N ATOM 252 CA LYS A 18 0.306 -10.491 3.113 1.00 0.00 C ATOM 253 C LYS A 18 0.348 -11.621 4.137 1.00 0.00 C ATOM 254 O LYS A 18 0.835 -12.714 3.850 1.00 0.00 O ATOM 255 CB LYS A 18 -0.999 -10.559 2.316 1.00 0.00 C ATOM 256 CG LYS A 18 -1.243 -11.909 1.664 1.00 0.00 C ATOM 257 CD LYS A 18 -2.696 -12.073 1.251 1.00 0.00 C ATOM 258 CE LYS A 18 -3.527 -12.685 2.369 1.00 0.00 C ATOM 259 NZ LYS A 18 -4.916 -12.989 1.925 1.00 0.00 N ATOM 0 H LYS A 18 1.237 -10.346 1.240 1.00 0.00 H new ATOM 0 HA LYS A 18 0.351 -9.541 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.833 -10.329 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.984 -9.789 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.601 -12.013 0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.969 -12.704 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.110 -11.102 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.755 -12.705 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.049 -13.600 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.558 -11.999 3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.450 -13.404 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.381 -12.112 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.888 -13.663 1.134 1.00 0.00 H new ATOM 273 N VAL A 19 -0.167 -11.350 5.332 1.00 0.00 N ATOM 274 CA VAL A 19 -0.190 -12.345 6.398 1.00 0.00 C ATOM 275 C VAL A 19 -1.423 -13.236 6.291 1.00 0.00 C ATOM 276 O VAL A 19 -2.530 -12.775 6.011 1.00 0.00 O ATOM 277 CB VAL A 19 -0.170 -11.680 7.787 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.264 -12.730 8.883 1.00 0.00 C ATOM 279 CG2 VAL A 19 1.084 -10.835 7.954 1.00 0.00 C ATOM 0 H VAL A 19 -0.574 -10.450 5.586 1.00 0.00 H new ATOM 0 HA VAL A 19 0.706 -12.954 6.282 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.037 -11.024 7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.248 -12.241 9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.193 -13.289 8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.582 -13.413 8.806 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.082 -10.372 8.941 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.966 -11.468 7.852 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.104 -10.059 7.189 1.00 0.00 H new ATOM 289 N PRO A 20 -1.230 -14.543 6.519 1.00 0.00 N ATOM 290 CA PRO A 20 -2.315 -15.527 6.455 1.00 0.00 C ATOM 291 C PRO A 20 -3.306 -15.372 7.604 1.00 0.00 C ATOM 292 O PRO A 20 -2.935 -14.965 8.706 1.00 0.00 O ATOM 293 CB PRO A 20 -1.584 -16.868 6.556 1.00 0.00 C ATOM 294 CG PRO A 20 -0.317 -16.556 7.274 1.00 0.00 C ATOM 295 CD PRO A 20 0.063 -15.162 6.858 1.00 0.00 C ATOM 0 HA PRO A 20 -2.911 -15.419 5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.177 -17.602 7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.387 -17.287 5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.455 -16.617 8.353 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.465 -17.268 7.012 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.567 -14.626 7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.742 -15.168 6.005 1.00 0.00 H new ATOM 303 N ASP A 21 -4.566 -15.700 7.341 1.00 0.00 N ATOM 304 CA ASP A 21 -5.610 -15.599 8.354 1.00 0.00 C ATOM 305 C ASP A 21 -5.876 -14.141 8.717 1.00 0.00 C ATOM 306 O ASP A 21 -6.076 -13.807 9.885 1.00 0.00 O ATOM 307 CB ASP A 21 -5.214 -16.385 9.605 1.00 0.00 C ATOM 308 CG ASP A 21 -6.409 -16.737 10.469 1.00 0.00 C ATOM 309 OD1 ASP A 21 -7.093 -17.735 10.158 1.00 0.00 O ATOM 310 OD2 ASP A 21 -6.659 -16.017 11.458 1.00 0.00 O ATOM 0 H ASP A 21 -4.889 -16.038 6.435 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.525 -16.025 7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.701 -17.300 9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.506 -15.798 10.190 1.00 0.00 H new ATOM 315 N THR A 22 -5.876 -13.276 7.708 1.00 0.00 N ATOM 316 CA THR A 22 -6.114 -11.854 7.920 1.00 0.00 C ATOM 317 C THR A 22 -6.605 -11.182 6.643 1.00 0.00 C ATOM 318 O THR A 22 -6.702 -11.818 5.593 1.00 0.00 O ATOM 319 CB THR A 22 -4.841 -11.137 8.408 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.815 -11.230 7.413 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.345 -11.742 9.713 1.00 0.00 C ATOM 0 H THR A 22 -5.714 -13.536 6.735 1.00 0.00 H new ATOM 0 HA THR A 22 -6.883 -11.774 8.688 1.00 0.00 H new ATOM 0 HB THR A 22 -5.085 -10.089 8.582 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.825 -12.126 7.015 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.445 -11.219 10.038 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.117 -11.644 10.476 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.117 -12.797 9.561 1.00 0.00 H new ATOM 329 N ASP A 23 -6.913 -9.893 6.739 1.00 0.00 N ATOM 330 CA ASP A 23 -7.392 -9.134 5.590 1.00 0.00 C ATOM 331 C ASP A 23 -6.227 -8.514 4.824 1.00 0.00 C ATOM 332 O ASP A 23 -6.416 -7.598 4.024 1.00 0.00 O ATOM 333 CB ASP A 23 -8.361 -8.040 6.042 1.00 0.00 C ATOM 334 CG ASP A 23 -9.789 -8.538 6.144 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.292 -9.105 5.151 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.404 -8.360 7.216 1.00 0.00 O ATOM 0 H ASP A 23 -6.839 -9.352 7.601 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.916 -9.821 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.043 -7.655 7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.319 -7.208 5.339 1.00 0.00 H new ATOM 341 N GLU A 24 -5.024 -9.019 5.076 1.00 0.00 N ATOM 342 CA GLU A 24 -3.829 -8.513 4.412 1.00 0.00 C ATOM 343 C GLU A 24 -3.837 -8.873 2.929 1.00 0.00 C ATOM 344 O GLU A 24 -4.313 -9.941 2.541 1.00 0.00 O ATOM 345 CB GLU A 24 -2.571 -9.076 5.077 1.00 0.00 C ATOM 346 CG GLU A 24 -2.235 -8.413 6.402 1.00 0.00 C ATOM 347 CD GLU A 24 -1.594 -7.050 6.227 1.00 0.00 C ATOM 348 OE1 GLU A 24 -1.601 -6.533 5.090 1.00 0.00 O ATOM 349 OE2 GLU A 24 -1.084 -6.501 7.226 1.00 0.00 O ATOM 0 H GLU A 24 -4.851 -9.778 5.735 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.826 -7.427 4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.703 -10.146 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.727 -8.959 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.145 -8.309 6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.561 -9.058 6.966 1.00 0.00 H new ATOM 356 N ILE A 25 -3.309 -7.974 2.105 1.00 0.00 N ATOM 357 CA ILE A 25 -3.255 -8.197 0.665 1.00 0.00 C ATOM 358 C ILE A 25 -1.825 -8.095 0.147 1.00 0.00 C ATOM 359 O ILE A 25 -1.063 -7.223 0.563 1.00 0.00 O ATOM 360 CB ILE A 25 -4.137 -7.188 -0.094 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.774 -5.757 0.307 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.609 -7.462 0.178 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.191 -4.719 -0.711 1.00 0.00 C ATOM 0 H ILE A 25 -2.913 -7.085 2.410 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.633 -9.204 0.487 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.957 -7.303 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.244 -5.526 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.696 -5.693 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.220 -6.741 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.858 -8.470 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.805 -7.371 1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.902 -3.728 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.700 -4.925 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.272 -4.755 -0.845 1.00 0.00 H new ATOM 375 N SER A 26 -1.467 -8.993 -0.766 1.00 0.00 N ATOM 376 CA SER A 26 -0.127 -9.006 -1.341 1.00 0.00 C ATOM 377 C SER A 26 -0.052 -8.097 -2.564 1.00 0.00 C ATOM 378 O SER A 26 -0.964 -8.072 -3.391 1.00 0.00 O ATOM 379 CB SER A 26 0.271 -10.432 -1.727 1.00 0.00 C ATOM 380 OG SER A 26 -0.262 -10.786 -2.992 1.00 0.00 O ATOM 0 H SER A 26 -2.086 -9.721 -1.123 1.00 0.00 H new ATOM 0 HA SER A 26 0.568 -8.633 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.358 -10.516 -1.750 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.086 -11.130 -0.970 1.00 0.00 H new ATOM 0 HG SER A 26 0.008 -11.701 -3.216 1.00 0.00 H new ATOM 386 N PHE A 27 1.042 -7.350 -2.672 1.00 0.00 N ATOM 387 CA PHE A 27 1.238 -6.438 -3.792 1.00 0.00 C ATOM 388 C PHE A 27 2.676 -6.497 -4.297 1.00 0.00 C ATOM 389 O PHE A 27 3.554 -7.061 -3.642 1.00 0.00 O ATOM 390 CB PHE A 27 0.889 -5.006 -3.379 1.00 0.00 C ATOM 391 CG PHE A 27 1.323 -4.663 -1.983 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.579 -5.076 -0.890 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.477 -3.927 -1.763 1.00 0.00 C ATOM 394 CE1 PHE A 27 0.976 -4.760 0.396 1.00 0.00 C ATOM 395 CE2 PHE A 27 2.880 -3.609 -0.480 1.00 0.00 C ATOM 396 CZ PHE A 27 2.128 -4.027 0.601 1.00 0.00 C ATOM 0 H PHE A 27 1.807 -7.359 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 27 0.575 -6.748 -4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.355 -4.311 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.189 -4.865 -3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.322 -5.652 -1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.068 -3.598 -2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.386 -5.086 1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.781 -3.035 -0.323 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.441 -3.781 1.605 1.00 0.00 H new ATOM 406 N LEU A 28 2.911 -5.911 -5.466 1.00 0.00 N ATOM 407 CA LEU A 28 4.243 -5.897 -6.061 1.00 0.00 C ATOM 408 C LEU A 28 4.766 -4.470 -6.192 1.00 0.00 C ATOM 409 O LEU A 28 3.990 -3.515 -6.245 1.00 0.00 O ATOM 410 CB LEU A 28 4.218 -6.571 -7.434 1.00 0.00 C ATOM 411 CG LEU A 28 3.797 -8.041 -7.452 1.00 0.00 C ATOM 412 CD1 LEU A 28 3.504 -8.494 -8.874 1.00 0.00 C ATOM 413 CD2 LEU A 28 4.875 -8.912 -6.824 1.00 0.00 C ATOM 0 H LEU A 28 2.197 -5.439 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 28 4.913 -6.451 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.540 -6.012 -8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.213 -6.493 -7.873 1.00 0.00 H new ATOM 0 HG LEU A 28 2.885 -8.146 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.206 -9.542 -8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.697 -7.890 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.398 -8.375 -9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.558 -9.955 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.803 -8.803 -7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.037 -8.603 -5.791 1.00 0.00 H new ATOM 425 N LYS A 29 6.086 -4.332 -6.246 1.00 0.00 N ATOM 426 CA LYS A 29 6.714 -3.022 -6.374 1.00 0.00 C ATOM 427 C LYS A 29 6.113 -2.242 -7.539 1.00 0.00 C ATOM 428 O LYS A 29 6.197 -2.665 -8.691 1.00 0.00 O ATOM 429 CB LYS A 29 8.224 -3.175 -6.574 1.00 0.00 C ATOM 430 CG LYS A 29 8.885 -1.948 -7.178 1.00 0.00 C ATOM 431 CD LYS A 29 10.368 -2.174 -7.416 1.00 0.00 C ATOM 432 CE LYS A 29 11.155 -0.877 -7.303 1.00 0.00 C ATOM 433 NZ LYS A 29 12.455 -0.952 -8.025 1.00 0.00 N ATOM 0 H LYS A 29 6.742 -5.112 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 29 6.530 -2.467 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.689 -3.392 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.411 -4.033 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.398 -1.698 -8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.748 -1.095 -6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.748 -2.895 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.517 -2.606 -8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.562 -0.056 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.336 -0.652 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.961 -0.049 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.032 -1.719 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.282 -1.141 -9.033 1.00 0.00 H new ATOM 447 N GLY A 30 5.507 -1.100 -7.231 1.00 0.00 N ATOM 448 CA GLY A 30 4.902 -0.279 -8.264 1.00 0.00 C ATOM 449 C GLY A 30 3.387 -0.313 -8.218 1.00 0.00 C ATOM 450 O GLY A 30 2.721 0.480 -8.883 1.00 0.00 O ATOM 0 H GLY A 30 5.424 -0.728 -6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.243 0.750 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.241 -0.622 -9.242 1.00 0.00 H new ATOM 454 N ASP A 31 2.841 -1.235 -7.433 1.00 0.00 N ATOM 455 CA ASP A 31 1.395 -1.370 -7.304 1.00 0.00 C ATOM 456 C ASP A 31 0.789 -0.131 -6.652 1.00 0.00 C ATOM 457 O ASP A 31 1.314 0.382 -5.664 1.00 0.00 O ATOM 458 CB ASP A 31 1.049 -2.614 -6.483 1.00 0.00 C ATOM 459 CG ASP A 31 0.916 -3.856 -7.341 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.957 -4.381 -7.789 1.00 0.00 O ATOM 461 OD2 ASP A 31 -0.228 -4.303 -7.567 1.00 0.00 O ATOM 0 H ASP A 31 3.378 -1.900 -6.876 1.00 0.00 H new ATOM 0 HA ASP A 31 0.974 -1.475 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.822 -2.776 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.115 -2.444 -5.948 1.00 0.00 H new ATOM 466 N MET A 32 -0.317 0.345 -7.214 1.00 0.00 N ATOM 467 CA MET A 32 -0.994 1.525 -6.687 1.00 0.00 C ATOM 468 C MET A 32 -2.087 1.129 -5.699 1.00 0.00 C ATOM 469 O MET A 32 -2.373 -0.054 -5.516 1.00 0.00 O ATOM 470 CB MET A 32 -1.596 2.346 -7.829 1.00 0.00 C ATOM 471 CG MET A 32 -0.625 3.346 -8.436 1.00 0.00 C ATOM 472 SD MET A 32 -0.959 3.668 -10.179 1.00 0.00 S ATOM 473 CE MET A 32 -0.625 5.425 -10.268 1.00 0.00 C ATOM 0 H MET A 32 -0.763 -0.067 -8.033 1.00 0.00 H new ATOM 0 HA MET A 32 -0.257 2.132 -6.162 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.942 1.668 -8.609 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.471 2.880 -7.459 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.679 4.282 -7.881 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.392 2.970 -8.328 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.563 5.968 -10.381 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.127 5.747 -9.354 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.019 5.630 -11.123 1.00 0.00 H new ATOM 483 N PHE A 33 -2.694 2.126 -5.064 1.00 0.00 N ATOM 484 CA PHE A 33 -3.754 1.882 -4.094 1.00 0.00 C ATOM 485 C PHE A 33 -4.597 3.136 -3.881 1.00 0.00 C ATOM 486 O PHE A 33 -4.205 4.234 -4.277 1.00 0.00 O ATOM 487 CB PHE A 33 -3.159 1.421 -2.762 1.00 0.00 C ATOM 488 CG PHE A 33 -2.066 0.402 -2.914 1.00 0.00 C ATOM 489 CD1 PHE A 33 -0.748 0.800 -3.072 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.356 -0.952 -2.898 1.00 0.00 C ATOM 491 CE1 PHE A 33 0.260 -0.136 -3.213 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.352 -1.892 -3.038 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.043 -1.483 -3.195 1.00 0.00 C ATOM 0 H PHE A 33 -2.469 3.111 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.398 1.096 -4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.766 2.287 -2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.953 1.001 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.506 1.852 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.378 -1.277 -2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.283 0.186 -3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.592 -2.945 -3.025 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.743 -2.216 -3.304 1.00 0.00 H new ATOM 503 N ILE A 34 -5.755 2.964 -3.252 1.00 0.00 N ATOM 504 CA ILE A 34 -6.652 4.081 -2.986 1.00 0.00 C ATOM 505 C ILE A 34 -6.998 4.167 -1.503 1.00 0.00 C ATOM 506 O ILE A 34 -7.842 3.420 -1.007 1.00 0.00 O ATOM 507 CB ILE A 34 -7.955 3.963 -3.800 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.639 3.723 -5.277 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.800 5.217 -3.630 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.860 3.413 -6.114 1.00 0.00 C ATOM 0 H ILE A 34 -6.094 2.062 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.126 4.987 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.524 3.111 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.145 4.606 -5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.933 2.897 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.717 5.119 -4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.049 5.348 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.239 6.084 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.560 3.254 -7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.343 2.513 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.558 4.248 -6.062 1.00 0.00 H new ATOM 522 N VAL A 35 -6.342 5.084 -0.800 1.00 0.00 N ATOM 523 CA VAL A 35 -6.581 5.271 0.626 1.00 0.00 C ATOM 524 C VAL A 35 -8.031 5.661 0.893 1.00 0.00 C ATOM 525 O VAL A 35 -8.425 6.808 0.683 1.00 0.00 O ATOM 526 CB VAL A 35 -5.654 6.351 1.214 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.791 6.405 2.728 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.210 6.090 0.810 1.00 0.00 C ATOM 0 H VAL A 35 -5.640 5.710 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.368 4.318 1.110 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.951 7.319 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.129 7.174 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.822 6.642 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.521 5.438 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.568 6.862 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.898 5.114 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.128 6.106 -0.277 1.00 0.00 H new ATOM 538 N HIS A 36 -8.821 4.698 1.358 1.00 0.00 N ATOM 539 CA HIS A 36 -10.228 4.941 1.656 1.00 0.00 C ATOM 540 C HIS A 36 -10.406 5.399 3.100 1.00 0.00 C ATOM 541 O HIS A 36 -11.091 6.385 3.369 1.00 0.00 O ATOM 542 CB HIS A 36 -11.050 3.677 1.404 1.00 0.00 C ATOM 543 CG HIS A 36 -11.103 3.275 -0.038 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.799 3.985 -0.992 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.539 2.229 -0.686 1.00 0.00 C ATOM 546 CE1 HIS A 36 -11.664 3.393 -2.165 1.00 0.00 C ATOM 547 NE2 HIS A 36 -10.903 2.325 -2.007 1.00 0.00 N ATOM 0 H HIS A 36 -8.511 3.743 1.536 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.582 5.733 0.996 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.629 2.857 1.986 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.066 3.836 1.766 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -9.919 1.462 -0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.101 3.726 -3.095 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.630 1.677 -2.746 1.00 0.00 H new ATOM 555 N ASN A 37 -9.786 4.675 4.027 1.00 0.00 N ATOM 556 CA ASN A 37 -9.878 5.007 5.444 1.00 0.00 C ATOM 557 C ASN A 37 -8.490 5.204 6.047 1.00 0.00 C ATOM 558 O ASN A 37 -7.523 4.573 5.622 1.00 0.00 O ATOM 559 CB ASN A 37 -10.623 3.904 6.199 1.00 0.00 C ATOM 560 CG ASN A 37 -11.310 4.422 7.448 1.00 0.00 C ATOM 561 OD1 ASN A 37 -12.439 4.908 7.393 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.628 4.320 8.584 1.00 0.00 N ATOM 0 H ASN A 37 -9.215 3.855 3.822 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.432 5.941 5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.365 3.453 5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.921 3.117 6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.038 4.652 9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.694 3.910 8.583 1.00 0.00 H new ATOM 569 N GLU A 38 -8.403 6.083 7.041 1.00 0.00 N ATOM 570 CA GLU A 38 -7.134 6.363 7.702 1.00 0.00 C ATOM 571 C GLU A 38 -7.199 5.996 9.182 1.00 0.00 C ATOM 572 O GLU A 38 -7.967 6.582 9.946 1.00 0.00 O ATOM 573 CB GLU A 38 -6.768 7.840 7.548 1.00 0.00 C ATOM 574 CG GLU A 38 -6.275 8.203 6.157 1.00 0.00 C ATOM 575 CD GLU A 38 -5.289 9.355 6.169 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.450 10.266 7.008 1.00 0.00 O ATOM 577 OE2 GLU A 38 -4.356 9.345 5.339 1.00 0.00 O ATOM 0 H GLU A 38 -9.195 6.612 7.405 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.365 5.754 7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.641 8.449 7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.996 8.092 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.803 7.331 5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.127 8.466 5.531 1.00 0.00 H new ATOM 584 N LEU A 39 -6.388 5.021 9.580 1.00 0.00 N ATOM 585 CA LEU A 39 -6.353 4.574 10.968 1.00 0.00 C ATOM 586 C LEU A 39 -5.326 5.368 11.770 1.00 0.00 C ATOM 587 O LEU A 39 -4.636 6.231 11.229 1.00 0.00 O ATOM 588 CB LEU A 39 -6.026 3.082 11.036 1.00 0.00 C ATOM 589 CG LEU A 39 -6.927 2.159 10.214 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.387 2.373 10.582 1.00 0.00 C ATOM 591 CD2 LEU A 39 -6.711 2.391 8.725 1.00 0.00 C ATOM 0 H LEU A 39 -5.746 4.525 8.961 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.338 4.744 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.997 2.941 10.706 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.072 2.768 12.079 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.663 1.126 10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.013 1.708 9.987 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.531 2.157 11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.665 3.408 10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.360 1.726 8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.948 3.426 8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.671 2.187 8.472 1.00 0.00 H new ATOM 603 N GLU A 40 -5.231 5.068 13.061 1.00 0.00 N ATOM 604 CA GLU A 40 -4.287 5.753 13.937 1.00 0.00 C ATOM 605 C GLU A 40 -3.035 4.908 14.154 1.00 0.00 C ATOM 606 O GLU A 40 -1.986 5.423 14.542 1.00 0.00 O ATOM 607 CB GLU A 40 -4.943 6.068 15.283 1.00 0.00 C ATOM 608 CG GLU A 40 -5.919 7.231 15.227 1.00 0.00 C ATOM 609 CD GLU A 40 -7.027 7.113 16.255 1.00 0.00 C ATOM 610 OE1 GLU A 40 -7.684 6.052 16.299 1.00 0.00 O ATOM 611 OE2 GLU A 40 -7.237 8.081 17.016 1.00 0.00 O ATOM 0 H GLU A 40 -5.796 4.356 13.524 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.995 6.687 13.456 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.468 5.181 15.638 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.165 6.292 16.013 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.377 8.163 15.388 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.357 7.285 14.230 1.00 0.00 H new ATOM 618 N ASP A 41 -3.153 3.610 13.901 1.00 0.00 N ATOM 619 CA ASP A 41 -2.032 2.693 14.068 1.00 0.00 C ATOM 620 C ASP A 41 -0.991 2.902 12.973 1.00 0.00 C ATOM 621 O ASP A 41 0.020 2.203 12.921 1.00 0.00 O ATOM 622 CB ASP A 41 -2.523 1.244 14.052 1.00 0.00 C ATOM 623 CG ASP A 41 -3.258 0.868 15.323 1.00 0.00 C ATOM 624 OD1 ASP A 41 -2.679 1.040 16.416 1.00 0.00 O ATOM 625 OD2 ASP A 41 -4.412 0.400 15.225 1.00 0.00 O ATOM 0 H ASP A 41 -4.014 3.168 13.579 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.566 2.900 15.032 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.183 1.096 13.197 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.672 0.577 13.917 1.00 0.00 H new ATOM 630 N GLY A 42 -1.246 3.870 12.097 1.00 0.00 N ATOM 631 CA GLY A 42 -0.323 4.154 11.014 1.00 0.00 C ATOM 632 C GLY A 42 -0.719 3.469 9.721 1.00 0.00 C ATOM 633 O GLY A 42 -0.173 3.770 8.660 1.00 0.00 O ATOM 0 H GLY A 42 -2.076 4.463 12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.278 5.231 10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.678 3.832 11.300 1.00 0.00 H new ATOM 637 N TRP A 43 -1.669 2.545 9.810 1.00 0.00 N ATOM 638 CA TRP A 43 -2.136 1.815 8.637 1.00 0.00 C ATOM 639 C TRP A 43 -3.173 2.625 7.868 1.00 0.00 C ATOM 640 O TRP A 43 -3.618 3.676 8.328 1.00 0.00 O ATOM 641 CB TRP A 43 -2.728 0.467 9.052 1.00 0.00 C ATOM 642 CG TRP A 43 -1.732 -0.444 9.704 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.085 -0.238 10.889 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.269 -1.704 9.205 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.248 -1.294 11.156 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.343 -2.207 10.139 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.548 -2.457 8.061 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.305 -3.426 9.962 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.904 -3.667 7.887 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.013 -4.143 8.834 1.00 0.00 C ATOM 0 H TRP A 43 -2.131 2.284 10.681 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.281 1.642 7.983 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.557 0.638 9.739 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.140 -0.027 8.172 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.213 0.627 11.523 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.348 -1.384 11.979 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.254 -2.099 7.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 1.014 -3.793 10.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.111 -4.256 7.006 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.498 -5.094 8.670 1.00 0.00 H new ATOM 661 N MET A 44 -3.555 2.130 6.695 1.00 0.00 N ATOM 662 CA MET A 44 -4.542 2.808 5.864 1.00 0.00 C ATOM 663 C MET A 44 -5.304 1.809 5.000 1.00 0.00 C ATOM 664 O MET A 44 -4.707 1.066 4.221 1.00 0.00 O ATOM 665 CB MET A 44 -3.862 3.853 4.977 1.00 0.00 C ATOM 666 CG MET A 44 -2.650 4.504 5.625 1.00 0.00 C ATOM 667 SD MET A 44 -1.949 5.824 4.616 1.00 0.00 S ATOM 668 CE MET A 44 -0.752 4.910 3.647 1.00 0.00 C ATOM 0 H MET A 44 -3.196 1.261 6.299 1.00 0.00 H new ATOM 0 HA MET A 44 -5.253 3.308 6.522 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.555 3.381 4.044 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.586 4.626 4.720 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.935 4.907 6.597 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.888 3.746 5.805 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.234 5.591 2.972 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.028 4.439 4.312 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.264 4.143 3.066 1.00 0.00 H new ATOM 678 N TRP A 45 -6.625 1.797 5.143 1.00 0.00 N ATOM 679 CA TRP A 45 -7.468 0.888 4.374 1.00 0.00 C ATOM 680 C TRP A 45 -7.507 1.292 2.905 1.00 0.00 C ATOM 681 O TRP A 45 -8.283 2.163 2.511 1.00 0.00 O ATOM 682 CB TRP A 45 -8.885 0.866 4.948 1.00 0.00 C ATOM 683 CG TRP A 45 -9.765 -0.172 4.321 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.539 -0.025 3.205 1.00 0.00 C ATOM 685 CD2 TRP A 45 -9.962 -1.516 4.774 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.205 -1.196 2.937 1.00 0.00 N ATOM 687 CE2 TRP A 45 -10.868 -2.127 3.884 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.460 -2.263 5.842 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.281 -3.448 4.034 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -9.871 -3.574 5.989 1.00 0.00 C ATOM 691 CH2 TRP A 45 -10.773 -4.156 5.089 1.00 0.00 C ATOM 0 H TRP A 45 -7.135 2.406 5.783 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.040 -0.112 4.444 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -8.831 0.686 6.022 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.339 1.847 4.812 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.616 0.879 2.619 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -11.847 -1.348 2.159 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.763 -1.824 6.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -11.978 -3.898 3.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.490 -4.160 6.812 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.073 -5.184 5.231 1.00 0.00 H new ATOM 702 N VAL A 46 -6.665 0.655 2.097 1.00 0.00 N ATOM 703 CA VAL A 46 -6.605 0.948 0.670 1.00 0.00 C ATOM 704 C VAL A 46 -7.165 -0.207 -0.152 1.00 0.00 C ATOM 705 O VAL A 46 -7.666 -1.189 0.396 1.00 0.00 O ATOM 706 CB VAL A 46 -5.161 1.234 0.216 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.481 2.200 1.175 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.372 -0.061 0.103 1.00 0.00 C ATOM 0 H VAL A 46 -6.015 -0.067 2.407 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.213 1.837 0.504 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.194 1.700 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.462 2.390 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.036 3.138 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.458 1.765 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.354 0.160 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.346 -0.557 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.849 -0.715 -0.627 1.00 0.00 H new ATOM 718 N THR A 47 -7.078 -0.083 -1.473 1.00 0.00 N ATOM 719 CA THR A 47 -7.577 -1.115 -2.372 1.00 0.00 C ATOM 720 C THR A 47 -6.658 -1.286 -3.577 1.00 0.00 C ATOM 721 O THR A 47 -6.534 -0.386 -4.406 1.00 0.00 O ATOM 722 CB THR A 47 -8.999 -0.791 -2.867 1.00 0.00 C ATOM 723 OG1 THR A 47 -9.891 -0.674 -1.753 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.502 -1.869 -3.815 1.00 0.00 C ATOM 0 H THR A 47 -6.666 0.723 -1.944 1.00 0.00 H new ATOM 0 HA THR A 47 -7.602 -2.044 -1.803 1.00 0.00 H new ATOM 0 HB THR A 47 -8.965 0.156 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.793 -0.466 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.508 -1.618 -4.151 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.838 -1.935 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.521 -2.828 -3.298 1.00 0.00 H new ATOM 732 N ASN A 48 -6.017 -2.446 -3.667 1.00 0.00 N ATOM 733 CA ASN A 48 -5.110 -2.734 -4.772 1.00 0.00 C ATOM 734 C ASN A 48 -5.832 -2.628 -6.111 1.00 0.00 C ATOM 735 O ASN A 48 -6.910 -3.196 -6.294 1.00 0.00 O ATOM 736 CB ASN A 48 -4.507 -4.132 -4.613 1.00 0.00 C ATOM 737 CG ASN A 48 -3.141 -4.249 -5.260 1.00 0.00 C ATOM 738 OD1 ASN A 48 -2.882 -3.648 -6.303 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.259 -5.027 -4.643 1.00 0.00 N ATOM 0 H ASN A 48 -6.109 -3.202 -2.988 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.308 -1.996 -4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.426 -4.371 -3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.180 -4.867 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.323 -5.145 -5.032 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.517 -5.506 -3.780 1.00 0.00 H new ATOM 746 N LEU A 49 -5.232 -1.899 -7.045 1.00 0.00 N ATOM 747 CA LEU A 49 -5.817 -1.719 -8.369 1.00 0.00 C ATOM 748 C LEU A 49 -5.611 -2.962 -9.229 1.00 0.00 C ATOM 749 O LEU A 49 -6.358 -3.202 -10.178 1.00 0.00 O ATOM 750 CB LEU A 49 -5.202 -0.500 -9.059 1.00 0.00 C ATOM 751 CG LEU A 49 -5.531 0.859 -8.440 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.907 1.982 -9.254 1.00 0.00 C ATOM 753 CD2 LEU A 49 -7.037 1.047 -8.335 1.00 0.00 C ATOM 0 H LEU A 49 -4.340 -1.423 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.888 -1.558 -8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.119 -0.620 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.530 -0.492 -10.099 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.110 0.890 -7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.152 2.941 -8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.824 1.857 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.297 1.954 -10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.252 2.020 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.480 0.995 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.459 0.262 -7.708 1.00 0.00 H new ATOM 765 N ARG A 50 -4.596 -3.749 -8.889 1.00 0.00 N ATOM 766 CA ARG A 50 -4.293 -4.968 -9.629 1.00 0.00 C ATOM 767 C ARG A 50 -5.295 -6.069 -9.297 1.00 0.00 C ATOM 768 O ARG A 50 -5.927 -6.639 -10.187 1.00 0.00 O ATOM 769 CB ARG A 50 -2.874 -5.442 -9.313 1.00 0.00 C ATOM 770 CG ARG A 50 -2.533 -6.793 -9.922 1.00 0.00 C ATOM 771 CD ARG A 50 -1.034 -7.045 -9.916 1.00 0.00 C ATOM 772 NE ARG A 50 -0.534 -7.342 -8.576 1.00 0.00 N ATOM 773 CZ ARG A 50 -0.650 -8.530 -7.995 1.00 0.00 C ATOM 774 NH1 ARG A 50 -1.246 -9.528 -8.633 1.00 0.00 N ATOM 775 NH2 ARG A 50 -0.170 -8.723 -6.773 1.00 0.00 N ATOM 0 H ARG A 50 -3.969 -3.564 -8.106 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.365 -4.745 -10.693 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.163 -4.700 -9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.752 -5.499 -8.231 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.038 -7.582 -9.365 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.906 -6.837 -10.945 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.804 -7.877 -10.581 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.518 -6.170 -10.310 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.070 -6.596 -8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.617 -9.384 -9.572 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.334 -10.440 -8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.289 -7.958 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.260 -9.636 -6.328 1.00 0.00 H new ATOM 789 N THR A 51 -5.435 -6.365 -8.008 1.00 0.00 N ATOM 790 CA THR A 51 -6.358 -7.399 -7.558 1.00 0.00 C ATOM 791 C THR A 51 -7.751 -6.827 -7.318 1.00 0.00 C ATOM 792 O THR A 51 -8.720 -7.570 -7.164 1.00 0.00 O ATOM 793 CB THR A 51 -5.862 -8.070 -6.263 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.808 -7.109 -5.203 1.00 0.00 O ATOM 795 CG2 THR A 51 -4.486 -8.687 -6.466 1.00 0.00 C ATOM 0 H THR A 51 -4.921 -5.903 -7.258 1.00 0.00 H new ATOM 0 HA THR A 51 -6.406 -8.146 -8.351 1.00 0.00 H new ATOM 0 HB THR A 51 -6.563 -8.862 -5.999 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.493 -7.544 -4.383 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.157 -9.155 -5.538 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.537 -9.439 -7.253 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.777 -7.910 -6.752 1.00 0.00 H new ATOM 803 N ASP A 52 -7.843 -5.502 -7.289 1.00 0.00 N ATOM 804 CA ASP A 52 -9.119 -4.829 -7.071 1.00 0.00 C ATOM 805 C ASP A 52 -9.747 -5.271 -5.753 1.00 0.00 C ATOM 806 O ASP A 52 -10.961 -5.453 -5.663 1.00 0.00 O ATOM 807 CB ASP A 52 -10.076 -5.117 -8.228 1.00 0.00 C ATOM 808 CG ASP A 52 -9.905 -4.143 -9.377 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.002 -4.363 -10.211 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.673 -3.160 -9.442 1.00 0.00 O ATOM 0 H ASP A 52 -7.050 -4.873 -7.414 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.933 -3.756 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.910 -6.132 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.103 -5.071 -7.866 1.00 0.00 H new ATOM 815 N GLU A 53 -8.912 -5.443 -4.733 1.00 0.00 N ATOM 816 CA GLU A 53 -9.386 -5.865 -3.420 1.00 0.00 C ATOM 817 C GLU A 53 -8.925 -4.894 -2.337 1.00 0.00 C ATOM 818 O GLU A 53 -7.898 -4.232 -2.480 1.00 0.00 O ATOM 819 CB GLU A 53 -8.886 -7.276 -3.102 1.00 0.00 C ATOM 820 CG GLU A 53 -9.524 -8.355 -3.961 1.00 0.00 C ATOM 821 CD GLU A 53 -10.790 -8.918 -3.345 1.00 0.00 C ATOM 822 OE1 GLU A 53 -11.857 -8.287 -3.498 1.00 0.00 O ATOM 823 OE2 GLU A 53 -10.714 -9.991 -2.710 1.00 0.00 O ATOM 0 H GLU A 53 -7.904 -5.297 -4.791 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.476 -5.869 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.805 -7.308 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.083 -7.495 -2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.755 -7.943 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.808 -9.163 -4.114 1.00 0.00 H new ATOM 830 N GLN A 54 -9.693 -4.817 -1.255 1.00 0.00 N ATOM 831 CA GLN A 54 -9.365 -3.926 -0.148 1.00 0.00 C ATOM 832 C GLN A 54 -8.617 -4.676 0.950 1.00 0.00 C ATOM 833 O GLN A 54 -8.707 -5.899 1.053 1.00 0.00 O ATOM 834 CB GLN A 54 -10.637 -3.297 0.423 1.00 0.00 C ATOM 835 CG GLN A 54 -11.731 -3.091 -0.612 1.00 0.00 C ATOM 836 CD GLN A 54 -12.621 -4.307 -0.771 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.253 -4.758 0.185 1.00 0.00 O ATOM 838 NE2 GLN A 54 -12.676 -4.847 -1.983 1.00 0.00 N ATOM 0 H GLN A 54 -10.546 -5.360 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.718 -3.136 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.019 -3.932 1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.387 -2.336 0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.341 -2.234 -0.325 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.276 -2.851 -1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.136 -4.441 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.258 -5.668 -2.150 1.00 0.00 H new ATOM 847 N GLY A 55 -7.878 -3.933 1.769 1.00 0.00 N ATOM 848 CA GLY A 55 -7.125 -4.545 2.848 1.00 0.00 C ATOM 849 C GLY A 55 -6.396 -3.523 3.699 1.00 0.00 C ATOM 850 O GLY A 55 -6.720 -2.335 3.668 1.00 0.00 O ATOM 0 H GLY A 55 -7.788 -2.919 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.802 -5.121 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.403 -5.247 2.431 1.00 0.00 H new ATOM 854 N LEU A 56 -5.411 -3.985 4.461 1.00 0.00 N ATOM 855 CA LEU A 56 -4.635 -3.103 5.326 1.00 0.00 C ATOM 856 C LEU A 56 -3.176 -3.055 4.886 1.00 0.00 C ATOM 857 O LEU A 56 -2.627 -4.051 4.413 1.00 0.00 O ATOM 858 CB LEU A 56 -4.727 -3.571 6.779 1.00 0.00 C ATOM 859 CG LEU A 56 -6.118 -3.526 7.413 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.261 -4.613 8.466 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.384 -2.155 8.018 1.00 0.00 C ATOM 0 H LEU A 56 -5.131 -4.965 4.498 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.052 -2.099 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.358 -4.595 6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.056 -2.958 7.380 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.858 -3.706 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.257 -4.565 8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.115 -5.589 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.513 -4.466 9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.378 -2.141 8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.639 -1.945 8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.326 -1.396 7.238 1.00 0.00 H new ATOM 873 N ILE A 57 -2.552 -1.893 5.048 1.00 0.00 N ATOM 874 CA ILE A 57 -1.155 -1.718 4.671 1.00 0.00 C ATOM 875 C ILE A 57 -0.462 -0.711 5.584 1.00 0.00 C ATOM 876 O ILE A 57 -1.092 -0.105 6.449 1.00 0.00 O ATOM 877 CB ILE A 57 -1.021 -1.247 3.211 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.613 0.155 3.048 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.705 -2.229 2.273 1.00 0.00 C ATOM 880 CD1 ILE A 57 -0.997 0.942 1.912 1.00 0.00 C ATOM 0 H ILE A 57 -2.992 -1.059 5.438 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.675 -2.691 4.776 1.00 0.00 H new ATOM 0 HB ILE A 57 0.037 -1.206 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.687 0.070 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.478 0.708 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.602 -1.882 1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.242 -3.211 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.763 -2.299 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.464 1.925 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.072 1.058 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.155 0.410 0.974 1.00 0.00 H new ATOM 892 N VAL A 58 0.841 -0.538 5.382 1.00 0.00 N ATOM 893 CA VAL A 58 1.621 0.397 6.185 1.00 0.00 C ATOM 894 C VAL A 58 2.323 1.424 5.304 1.00 0.00 C ATOM 895 O VAL A 58 2.923 1.077 4.287 1.00 0.00 O ATOM 896 CB VAL A 58 2.672 -0.337 7.038 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.761 -0.925 6.153 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.267 0.604 8.075 1.00 0.00 C ATOM 0 H VAL A 58 1.378 -1.033 4.670 1.00 0.00 H new ATOM 0 HA VAL A 58 0.921 0.908 6.846 1.00 0.00 H new ATOM 0 HB VAL A 58 2.181 -1.157 7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.495 -1.440 6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.318 -1.632 5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.251 -0.124 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.008 0.069 8.669 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.744 1.445 7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.476 0.973 8.728 1.00 0.00 H new ATOM 908 N GLU A 59 2.244 2.690 5.702 1.00 0.00 N ATOM 909 CA GLU A 59 2.873 3.768 4.948 1.00 0.00 C ATOM 910 C GLU A 59 4.370 3.519 4.787 1.00 0.00 C ATOM 911 O GLU A 59 4.994 4.007 3.845 1.00 0.00 O ATOM 912 CB GLU A 59 2.640 5.111 5.644 1.00 0.00 C ATOM 913 CG GLU A 59 3.468 5.294 6.905 1.00 0.00 C ATOM 914 CD GLU A 59 3.109 6.558 7.660 1.00 0.00 C ATOM 915 OE1 GLU A 59 2.127 6.531 8.431 1.00 0.00 O ATOM 916 OE2 GLU A 59 3.810 7.576 7.481 1.00 0.00 O ATOM 0 H GLU A 59 1.751 2.994 6.542 1.00 0.00 H new ATOM 0 HA GLU A 59 2.419 3.797 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.871 5.917 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.584 5.201 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.325 4.433 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.525 5.321 6.640 1.00 0.00 H new ATOM 923 N ASP A 60 4.939 2.755 5.713 1.00 0.00 N ATOM 924 CA ASP A 60 6.362 2.440 5.675 1.00 0.00 C ATOM 925 C ASP A 60 6.694 1.569 4.467 1.00 0.00 C ATOM 926 O ASP A 60 7.863 1.376 4.130 1.00 0.00 O ATOM 927 CB ASP A 60 6.784 1.730 6.963 1.00 0.00 C ATOM 928 CG ASP A 60 8.265 1.407 6.988 1.00 0.00 C ATOM 929 OD1 ASP A 60 9.065 2.314 7.303 1.00 0.00 O ATOM 930 OD2 ASP A 60 8.624 0.248 6.693 1.00 0.00 O ATOM 0 H ASP A 60 4.437 2.342 6.499 1.00 0.00 H new ATOM 0 HA ASP A 60 6.914 3.376 5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.538 2.359 7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.212 0.808 7.070 1.00 0.00 H new ATOM 935 N LEU A 61 5.658 1.045 3.821 1.00 0.00 N ATOM 936 CA LEU A 61 5.839 0.193 2.650 1.00 0.00 C ATOM 937 C LEU A 61 5.496 0.948 1.370 1.00 0.00 C ATOM 938 O LEU A 61 6.076 0.695 0.313 1.00 0.00 O ATOM 939 CB LEU A 61 4.968 -1.059 2.767 1.00 0.00 C ATOM 940 CG LEU A 61 5.527 -2.187 3.635 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.506 -3.304 3.780 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.824 -2.720 3.047 1.00 0.00 C ATOM 0 H LEU A 61 4.685 1.195 4.088 1.00 0.00 H new ATOM 0 HA LEU A 61 6.887 -0.104 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.998 -0.766 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.794 -1.451 1.765 1.00 0.00 H new ATOM 0 HG LEU A 61 5.739 -1.786 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.921 -4.098 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.602 -2.913 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.261 -3.703 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.207 -3.522 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.638 -3.105 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.558 -1.916 2.997 1.00 0.00 H new ATOM 954 N VAL A 62 4.552 1.877 1.471 1.00 0.00 N ATOM 955 CA VAL A 62 4.134 2.671 0.322 1.00 0.00 C ATOM 956 C VAL A 62 4.617 4.112 0.445 1.00 0.00 C ATOM 957 O VAL A 62 5.216 4.492 1.450 1.00 0.00 O ATOM 958 CB VAL A 62 2.602 2.667 0.164 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.068 1.243 0.171 1.00 0.00 C ATOM 960 CG2 VAL A 62 1.951 3.494 1.262 1.00 0.00 C ATOM 0 H VAL A 62 4.062 2.099 2.337 1.00 0.00 H new ATOM 0 HA VAL A 62 4.584 2.214 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 62 2.352 3.119 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.984 1.260 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.510 0.685 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.327 0.762 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.869 3.480 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.207 3.074 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.310 4.522 1.205 1.00 0.00 H new ATOM 970 N GLU A 63 4.352 4.909 -0.586 1.00 0.00 N ATOM 971 CA GLU A 63 4.761 6.309 -0.592 1.00 0.00 C ATOM 972 C GLU A 63 3.778 7.159 -1.392 1.00 0.00 C ATOM 973 O GLU A 63 2.909 6.632 -2.087 1.00 0.00 O ATOM 974 CB GLU A 63 6.167 6.449 -1.178 1.00 0.00 C ATOM 975 CG GLU A 63 6.236 6.171 -2.670 1.00 0.00 C ATOM 976 CD GLU A 63 7.385 6.894 -3.346 1.00 0.00 C ATOM 977 OE1 GLU A 63 7.361 8.142 -3.379 1.00 0.00 O ATOM 978 OE2 GLU A 63 8.306 6.212 -3.842 1.00 0.00 O ATOM 0 H GLU A 63 3.857 4.610 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 63 4.767 6.664 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.532 7.459 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.838 5.765 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.342 5.098 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.298 6.473 -3.136 1.00 0.00 H new ATOM 985 N GLU A 64 3.922 8.476 -1.288 1.00 0.00 N ATOM 986 CA GLU A 64 3.046 9.399 -2.001 1.00 0.00 C ATOM 987 C GLU A 64 3.405 9.454 -3.483 1.00 0.00 C ATOM 988 O GLU A 64 4.577 9.389 -3.853 1.00 0.00 O ATOM 989 CB GLU A 64 3.138 10.798 -1.390 1.00 0.00 C ATOM 990 CG GLU A 64 4.524 11.413 -1.482 1.00 0.00 C ATOM 991 CD GLU A 64 4.532 12.889 -1.133 1.00 0.00 C ATOM 992 OE1 GLU A 64 3.612 13.333 -0.415 1.00 0.00 O ATOM 993 OE2 GLU A 64 5.459 13.599 -1.576 1.00 0.00 O ATOM 0 H GLU A 64 4.636 8.928 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 64 2.023 9.036 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.426 11.452 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.841 10.748 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.199 10.881 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.910 11.280 -2.493 1.00 0.00 H new ATOM 1000 N VAL A 65 2.386 9.575 -4.328 1.00 0.00 N ATOM 1001 CA VAL A 65 2.592 9.641 -5.770 1.00 0.00 C ATOM 1002 C VAL A 65 2.003 10.921 -6.352 1.00 0.00 C ATOM 1003 O VAL A 65 2.720 11.741 -6.926 1.00 0.00 O ATOM 1004 CB VAL A 65 1.962 8.429 -6.482 1.00 0.00 C ATOM 1005 CG1 VAL A 65 2.185 8.517 -7.984 1.00 0.00 C ATOM 1006 CG2 VAL A 65 2.527 7.131 -5.925 1.00 0.00 C ATOM 0 H VAL A 65 1.409 9.629 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 65 3.669 9.632 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 65 0.888 8.439 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.733 7.652 -8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.727 9.429 -8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.255 8.533 -8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.071 6.285 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.606 7.109 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.309 7.067 -4.859 1.00 0.00 H new ATOM 1016 N SER A 66 0.693 11.086 -6.199 1.00 0.00 N ATOM 1017 CA SER A 66 0.007 12.266 -6.713 1.00 0.00 C ATOM 1018 C SER A 66 0.368 12.512 -8.174 1.00 0.00 C ATOM 1019 O SER A 66 0.641 13.642 -8.577 1.00 0.00 O ATOM 1020 CB SER A 66 0.364 13.495 -5.874 1.00 0.00 C ATOM 1021 OG SER A 66 -0.298 13.467 -4.621 1.00 0.00 O ATOM 0 H SER A 66 0.086 10.418 -5.724 1.00 0.00 H new ATOM 0 HA SER A 66 -1.066 12.089 -6.647 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.442 13.532 -5.718 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.088 14.401 -6.414 1.00 0.00 H new ATOM 0 HG SER A 66 -0.052 14.262 -4.103 1.00 0.00 H new ATOM 1027 N GLY A 67 0.368 11.443 -8.965 1.00 0.00 N ATOM 1028 CA GLY A 67 0.697 11.562 -10.374 1.00 0.00 C ATOM 1029 C GLY A 67 -0.260 10.790 -11.260 1.00 0.00 C ATOM 1030 O GLY A 67 -1.371 10.445 -10.858 1.00 0.00 O ATOM 0 H GLY A 67 0.146 10.497 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.683 12.614 -10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.712 11.200 -10.539 1.00 0.00 H new ATOM 1034 N PRO A 68 0.170 10.510 -12.499 1.00 0.00 N ATOM 1035 CA PRO A 68 -0.642 9.772 -13.471 1.00 0.00 C ATOM 1036 C PRO A 68 -0.810 8.305 -13.092 1.00 0.00 C ATOM 1037 O PRO A 68 -0.250 7.843 -12.098 1.00 0.00 O ATOM 1038 CB PRO A 68 0.156 9.901 -14.771 1.00 0.00 C ATOM 1039 CG PRO A 68 1.564 10.114 -14.331 1.00 0.00 C ATOM 1040 CD PRO A 68 1.483 10.891 -13.047 1.00 0.00 C ATOM 0 HA PRO A 68 -1.656 10.166 -13.537 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.064 9.004 -15.383 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.201 10.736 -15.374 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.074 9.163 -14.180 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.130 10.663 -15.084 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.294 10.629 -12.367 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.549 11.965 -13.222 1.00 0.00 H new ATOM 1048 N SER A 69 -1.584 7.577 -13.890 1.00 0.00 N ATOM 1049 CA SER A 69 -1.828 6.162 -13.636 1.00 0.00 C ATOM 1050 C SER A 69 -0.867 5.291 -14.441 1.00 0.00 C ATOM 1051 O SER A 69 -0.430 5.671 -15.527 1.00 0.00 O ATOM 1052 CB SER A 69 -3.273 5.801 -13.983 1.00 0.00 C ATOM 1053 OG SER A 69 -3.435 5.631 -15.380 1.00 0.00 O ATOM 0 H SER A 69 -2.053 7.944 -14.718 1.00 0.00 H new ATOM 0 HA SER A 69 -1.659 5.975 -12.576 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.556 4.884 -13.467 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.942 6.585 -13.629 1.00 0.00 H new ATOM 0 HG SER A 69 -4.367 5.399 -15.575 1.00 0.00 H new ATOM 1059 N SER A 70 -0.544 4.121 -13.900 1.00 0.00 N ATOM 1060 CA SER A 70 0.368 3.197 -14.565 1.00 0.00 C ATOM 1061 C SER A 70 -0.363 1.929 -14.995 1.00 0.00 C ATOM 1062 O SER A 70 -1.169 1.379 -14.246 1.00 0.00 O ATOM 1063 CB SER A 70 1.531 2.840 -13.639 1.00 0.00 C ATOM 1064 OG SER A 70 2.402 1.905 -14.251 1.00 0.00 O ATOM 0 H SER A 70 -0.900 3.790 -13.003 1.00 0.00 H new ATOM 0 HA SER A 70 0.760 3.689 -15.455 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.085 3.743 -13.381 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.145 2.426 -12.708 1.00 0.00 H new ATOM 0 HG SER A 70 3.138 1.695 -13.639 1.00 0.00 H new ATOM 1070 N GLY A 71 -0.074 1.469 -16.209 1.00 0.00 N ATOM 1071 CA GLY A 71 -0.711 0.269 -16.719 1.00 0.00 C ATOM 1072 C GLY A 71 0.233 -0.583 -17.543 1.00 0.00 C ATOM 1073 O GLY A 71 1.440 -0.342 -17.563 1.00 0.00 O ATOM 0 H GLY A 71 0.590 1.906 -16.848 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.091 -0.319 -15.884 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.570 0.549 -17.329 1.00 0.00 H new TER 1077 GLY A 71