USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 821 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 19 HIS : no HE2:sc= -1.04 K(o=-1.3,f=-9.4!) USER MOD Set 1.2: A 82 TYR OH : rot 13:sc= -0.257 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -51:sc= 0.804 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 56:sc= -0.173 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0873) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 54 GLN : amide:sc= -0.418 K(o=-0.42,f=-2.3!) USER MOD Single : A 57 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 58 MET CE :methyl -167:sc= 0 (180deg=-0.125) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00709 USER MOD Single : A 65 CYS SG : rot 110:sc= -1.69! USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 68 GLN : amide:sc= -0.154 K(o=-0.15,f=-2!) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -164:sc= -1.55 (180deg=-2.98) USER MOD Single : A 72 TYR OH : rot 20:sc= 0.0654 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0811 K(o=-0.081,f=-3.1!) USER MOD Single : A 77 LYS NZ :NH3+ -141:sc= -0.161 (180deg=-0.78) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 88 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.1!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.188 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.897 -23.534 11.475 1.00 0.00 N ATOM 2 CA GLY A 1 -6.674 -23.836 12.271 1.00 0.00 C ATOM 3 C GLY A 1 -5.412 -23.302 11.621 1.00 0.00 C ATOM 4 O GLY A 1 -4.713 -22.471 12.198 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.732 -23.920 11.961 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.000 -22.504 11.374 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.814 -23.967 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.777 -23.405 13.267 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.585 -24.915 12.399 1.00 0.00 H new ATOM 10 N SER A 2 -5.123 -23.782 10.416 1.00 0.00 N ATOM 11 CA SER A 2 -3.936 -23.348 9.686 1.00 0.00 C ATOM 12 C SER A 2 -4.143 -21.959 9.091 1.00 0.00 C ATOM 13 O SER A 2 -5.226 -21.636 8.605 1.00 0.00 O ATOM 14 CB SER A 2 -3.601 -24.347 8.577 1.00 0.00 C ATOM 15 OG SER A 2 -2.966 -25.499 9.103 1.00 0.00 O ATOM 0 H SER A 2 -5.693 -24.470 9.924 1.00 0.00 H new ATOM 0 HA SER A 2 -3.103 -23.303 10.388 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.514 -24.637 8.056 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.951 -23.874 7.841 1.00 0.00 H new ATOM 0 HG SER A 2 -2.764 -26.123 8.374 1.00 0.00 H new ATOM 21 N SER A 3 -3.095 -21.142 9.132 1.00 0.00 N ATOM 22 CA SER A 3 -3.161 -19.787 8.597 1.00 0.00 C ATOM 23 C SER A 3 -2.485 -19.707 7.231 1.00 0.00 C ATOM 24 O SER A 3 -1.351 -19.246 7.116 1.00 0.00 O ATOM 25 CB SER A 3 -2.504 -18.801 9.564 1.00 0.00 C ATOM 26 OG SER A 3 -3.424 -18.362 10.549 1.00 0.00 O ATOM 0 H SER A 3 -2.191 -21.395 9.530 1.00 0.00 H new ATOM 0 HA SER A 3 -4.211 -19.521 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.649 -19.275 10.046 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.123 -17.943 9.010 1.00 0.00 H new ATOM 0 HG SER A 3 -2.979 -17.734 11.156 1.00 0.00 H new ATOM 32 N GLY A 4 -3.192 -20.158 6.201 1.00 0.00 N ATOM 33 CA GLY A 4 -2.646 -20.128 4.857 1.00 0.00 C ATOM 34 C GLY A 4 -3.719 -19.960 3.799 1.00 0.00 C ATOM 35 O GLY A 4 -3.559 -20.412 2.665 1.00 0.00 O ATOM 0 H GLY A 4 -4.133 -20.544 6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.930 -19.310 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.097 -21.051 4.670 1.00 0.00 H new ATOM 39 N SER A 5 -4.817 -19.309 4.171 1.00 0.00 N ATOM 40 CA SER A 5 -5.922 -19.084 3.248 1.00 0.00 C ATOM 41 C SER A 5 -5.976 -17.623 2.809 1.00 0.00 C ATOM 42 O SER A 5 -7.049 -17.086 2.536 1.00 0.00 O ATOM 43 CB SER A 5 -7.247 -19.481 3.900 1.00 0.00 C ATOM 44 OG SER A 5 -8.318 -19.392 2.976 1.00 0.00 O ATOM 0 H SER A 5 -4.964 -18.928 5.106 1.00 0.00 H new ATOM 0 HA SER A 5 -5.758 -19.704 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.177 -20.499 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.444 -18.833 4.754 1.00 0.00 H new ATOM 0 HG SER A 5 -8.305 -18.512 2.544 1.00 0.00 H new ATOM 50 N SER A 6 -4.811 -16.986 2.744 1.00 0.00 N ATOM 51 CA SER A 6 -4.726 -15.588 2.338 1.00 0.00 C ATOM 52 C SER A 6 -4.320 -15.471 0.874 1.00 0.00 C ATOM 53 O SER A 6 -3.247 -15.927 0.479 1.00 0.00 O ATOM 54 CB SER A 6 -3.726 -14.839 3.221 1.00 0.00 C ATOM 55 OG SER A 6 -4.384 -14.163 4.279 1.00 0.00 O ATOM 0 H SER A 6 -3.913 -17.416 2.967 1.00 0.00 H new ATOM 0 HA SER A 6 -5.712 -15.139 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.000 -15.542 3.630 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.170 -14.122 2.618 1.00 0.00 H new ATOM 0 HG SER A 6 -3.722 -13.694 4.829 1.00 0.00 H new ATOM 61 N GLY A 7 -5.184 -14.858 0.072 1.00 0.00 N ATOM 62 CA GLY A 7 -4.898 -14.692 -1.341 1.00 0.00 C ATOM 63 C GLY A 7 -4.310 -13.331 -1.658 1.00 0.00 C ATOM 64 O GLY A 7 -4.490 -12.811 -2.759 1.00 0.00 O ATOM 0 H GLY A 7 -6.078 -14.473 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.203 -15.468 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.816 -14.830 -1.913 1.00 0.00 H new ATOM 68 N VAL A 8 -3.604 -12.753 -0.691 1.00 0.00 N ATOM 69 CA VAL A 8 -2.987 -11.445 -0.873 1.00 0.00 C ATOM 70 C VAL A 8 -1.790 -11.530 -1.813 1.00 0.00 C ATOM 71 O VAL A 8 -1.488 -10.582 -2.539 1.00 0.00 O ATOM 72 CB VAL A 8 -2.530 -10.846 0.470 1.00 0.00 C ATOM 73 CG1 VAL A 8 -2.036 -9.420 0.281 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.656 -10.895 1.491 1.00 0.00 C ATOM 0 H VAL A 8 -3.445 -13.170 0.226 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.745 -10.796 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.702 -11.446 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.718 -9.015 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.194 -9.415 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.841 -8.806 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.312 -10.467 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.507 -10.323 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.957 -11.930 1.651 1.00 0.00 H new ATOM 84 N SER A 9 -1.112 -12.673 -1.797 1.00 0.00 N ATOM 85 CA SER A 9 0.052 -12.884 -2.648 1.00 0.00 C ATOM 86 C SER A 9 -0.351 -12.939 -4.119 1.00 0.00 C ATOM 87 O SER A 9 0.415 -12.543 -4.998 1.00 0.00 O ATOM 88 CB SER A 9 0.769 -14.177 -2.256 1.00 0.00 C ATOM 89 OG SER A 9 2.057 -14.245 -2.843 1.00 0.00 O ATOM 0 H SER A 9 -1.349 -13.468 -1.203 1.00 0.00 H new ATOM 0 HA SER A 9 0.731 -12.043 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.857 -14.233 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.176 -15.035 -2.572 1.00 0.00 H new ATOM 0 HG SER A 9 2.495 -15.080 -2.576 1.00 0.00 H new ATOM 95 N GLN A 10 -1.557 -13.432 -4.378 1.00 0.00 N ATOM 96 CA GLN A 10 -2.063 -13.539 -5.742 1.00 0.00 C ATOM 97 C GLN A 10 -2.385 -12.162 -6.313 1.00 0.00 C ATOM 98 O GLN A 10 -2.160 -11.901 -7.494 1.00 0.00 O ATOM 99 CB GLN A 10 -3.310 -14.425 -5.777 1.00 0.00 C ATOM 100 CG GLN A 10 -3.372 -15.340 -6.989 1.00 0.00 C ATOM 101 CD GLN A 10 -4.481 -16.368 -6.887 1.00 0.00 C ATOM 102 OE1 GLN A 10 -5.386 -16.243 -6.061 1.00 0.00 O ATOM 103 NE2 GLN A 10 -4.416 -17.395 -7.727 1.00 0.00 N ATOM 0 H GLN A 10 -2.203 -13.764 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.286 -13.993 -6.357 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.340 -15.032 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.197 -13.791 -5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.520 -14.739 -7.886 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.416 -15.852 -7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.648 -17.459 -8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.134 -18.119 -7.703 1.00 0.00 H new ATOM 112 N ARG A 11 -2.915 -11.285 -5.466 1.00 0.00 N ATOM 113 CA ARG A 11 -3.270 -9.934 -5.888 1.00 0.00 C ATOM 114 C ARG A 11 -2.023 -9.131 -6.248 1.00 0.00 C ATOM 115 O ARG A 11 -0.941 -9.373 -5.715 1.00 0.00 O ATOM 116 CB ARG A 11 -4.048 -9.221 -4.781 1.00 0.00 C ATOM 117 CG ARG A 11 -5.251 -10.004 -4.281 1.00 0.00 C ATOM 118 CD ARG A 11 -6.334 -10.100 -5.345 1.00 0.00 C ATOM 119 NE ARG A 11 -7.397 -9.120 -5.134 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.607 -9.211 -5.681 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.912 -10.233 -6.471 1.00 0.00 N ATOM 122 NH2 ARG A 11 -9.516 -8.277 -5.436 1.00 0.00 N ATOM 0 H ARG A 11 -3.108 -11.485 -4.485 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.899 -10.010 -6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.377 -9.028 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.384 -8.252 -5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.938 -11.006 -3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.656 -9.523 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.890 -9.947 -6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.760 -11.103 -5.340 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.200 -8.320 -4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.217 -10.955 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.841 -10.297 -6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.288 -7.490 -4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.444 -8.346 -5.855 1.00 0.00 H new ATOM 136 N PRO A 12 -2.160 -8.154 -7.163 1.00 0.00 N ATOM 137 CA PRO A 12 -1.040 -7.312 -7.594 1.00 0.00 C ATOM 138 C PRO A 12 -0.290 -6.698 -6.417 1.00 0.00 C ATOM 139 O PRO A 12 -0.834 -6.568 -5.321 1.00 0.00 O ATOM 140 CB PRO A 12 -1.718 -6.219 -8.425 1.00 0.00 C ATOM 141 CG PRO A 12 -2.968 -6.851 -8.928 1.00 0.00 C ATOM 142 CD PRO A 12 -3.417 -7.797 -7.848 1.00 0.00 C ATOM 0 HA PRO A 12 -0.290 -7.881 -8.143 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.935 -5.338 -7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.080 -5.893 -9.247 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.731 -6.100 -9.131 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.788 -7.383 -9.862 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.125 -7.324 -7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.912 -8.675 -8.263 1.00 0.00 H new ATOM 150 N PHE A 13 0.963 -6.321 -6.652 1.00 0.00 N ATOM 151 CA PHE A 13 1.788 -5.721 -5.610 1.00 0.00 C ATOM 152 C PHE A 13 1.267 -4.338 -5.233 1.00 0.00 C ATOM 153 O PHE A 13 1.314 -3.942 -4.069 1.00 0.00 O ATOM 154 CB PHE A 13 3.242 -5.621 -6.076 1.00 0.00 C ATOM 155 CG PHE A 13 4.166 -5.052 -5.038 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.493 -5.783 -3.907 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.709 -3.786 -5.193 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.344 -5.262 -2.950 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.560 -3.260 -4.239 1.00 0.00 C ATOM 160 CZ PHE A 13 5.877 -3.999 -3.116 1.00 0.00 C ATOM 0 H PHE A 13 1.429 -6.420 -7.554 1.00 0.00 H new ATOM 0 HA PHE A 13 1.739 -6.361 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.593 -6.613 -6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.287 -5.000 -6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.078 -6.771 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.464 -3.204 -6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.592 -5.842 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.976 -2.272 -4.372 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.541 -3.590 -2.369 1.00 0.00 H new ATOM 170 N ARG A 14 0.770 -3.608 -6.226 1.00 0.00 N ATOM 171 CA ARG A 14 0.239 -2.269 -5.999 1.00 0.00 C ATOM 172 C ARG A 14 -0.978 -2.314 -5.082 1.00 0.00 C ATOM 173 O ARG A 14 -1.231 -1.377 -4.324 1.00 0.00 O ATOM 174 CB ARG A 14 -0.134 -1.613 -7.330 1.00 0.00 C ATOM 175 CG ARG A 14 0.185 -0.128 -7.387 1.00 0.00 C ATOM 176 CD ARG A 14 -0.333 0.504 -8.668 1.00 0.00 C ATOM 177 NE ARG A 14 0.593 0.319 -9.783 1.00 0.00 N ATOM 178 CZ ARG A 14 0.570 1.048 -10.896 1.00 0.00 C ATOM 179 NH1 ARG A 14 -0.331 2.012 -11.048 1.00 0.00 N ATOM 180 NH2 ARG A 14 1.448 0.814 -11.861 1.00 0.00 N ATOM 0 H ARG A 14 0.724 -3.921 -7.196 1.00 0.00 H new ATOM 0 HA ARG A 14 1.014 -1.676 -5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.395 -2.121 -8.137 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.200 -1.754 -7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.259 0.374 -6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.263 0.016 -7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.299 0.068 -8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.497 1.569 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 14 1.299 -0.413 -9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.010 2.197 -10.309 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.344 2.568 -11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.142 0.075 -11.751 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.430 1.373 -12.714 1.00 0.00 H new ATOM 194 N ASP A 15 -1.730 -3.408 -5.156 1.00 0.00 N ATOM 195 CA ASP A 15 -2.921 -3.574 -4.332 1.00 0.00 C ATOM 196 C ASP A 15 -2.549 -3.709 -2.859 1.00 0.00 C ATOM 197 O ASP A 15 -3.209 -3.143 -1.987 1.00 0.00 O ATOM 198 CB ASP A 15 -3.713 -4.802 -4.785 1.00 0.00 C ATOM 199 CG ASP A 15 -4.540 -4.531 -6.026 1.00 0.00 C ATOM 200 OD1 ASP A 15 -3.953 -4.451 -7.125 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.775 -4.398 -5.898 1.00 0.00 O ATOM 0 H ASP A 15 -1.535 -4.192 -5.778 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.542 -2.686 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.024 -5.623 -4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.370 -5.125 -3.978 1.00 0.00 H new ATOM 206 N ARG A 16 -1.489 -4.463 -2.589 1.00 0.00 N ATOM 207 CA ARG A 16 -1.029 -4.675 -1.220 1.00 0.00 C ATOM 208 C ARG A 16 -0.609 -3.357 -0.577 1.00 0.00 C ATOM 209 O ARG A 16 -1.012 -3.045 0.543 1.00 0.00 O ATOM 210 CB ARG A 16 0.139 -5.661 -1.199 1.00 0.00 C ATOM 211 CG ARG A 16 -0.286 -7.110 -1.382 1.00 0.00 C ATOM 212 CD ARG A 16 0.732 -7.892 -2.198 1.00 0.00 C ATOM 213 NE ARG A 16 1.505 -8.814 -1.369 1.00 0.00 N ATOM 214 CZ ARG A 16 2.648 -9.377 -1.755 1.00 0.00 C ATOM 215 NH1 ARG A 16 3.153 -9.115 -2.954 1.00 0.00 N ATOM 216 NH2 ARG A 16 3.288 -10.203 -0.939 1.00 0.00 N ATOM 0 H ARG A 16 -0.932 -4.938 -3.299 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.857 -5.091 -0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.843 -5.395 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.670 -5.563 -0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.410 -7.580 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.256 -7.146 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.218 -8.451 -2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.409 -7.197 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 16 1.148 -9.039 -0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.665 -8.479 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.029 -9.549 -3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.905 -10.407 -0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.164 -10.635 -1.234 1.00 0.00 H new ATOM 230 N VAL A 17 0.203 -2.587 -1.293 1.00 0.00 N ATOM 231 CA VAL A 17 0.678 -1.303 -0.792 1.00 0.00 C ATOM 232 C VAL A 17 -0.442 -0.268 -0.784 1.00 0.00 C ATOM 233 O VAL A 17 -0.464 0.631 0.057 1.00 0.00 O ATOM 234 CB VAL A 17 1.849 -0.768 -1.637 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.459 0.464 -0.986 1.00 0.00 C ATOM 236 CG2 VAL A 17 2.900 -1.849 -1.837 1.00 0.00 C ATOM 0 H VAL A 17 0.546 -2.830 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 17 1.023 -1.470 0.228 1.00 0.00 H new ATOM 0 HB VAL A 17 1.465 -0.481 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.285 0.828 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.701 1.243 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.829 0.206 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.720 -1.453 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.281 -2.170 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.453 -2.700 -2.351 1.00 0.00 H new ATOM 246 N LEU A 18 -1.372 -0.401 -1.724 1.00 0.00 N ATOM 247 CA LEU A 18 -2.496 0.523 -1.825 1.00 0.00 C ATOM 248 C LEU A 18 -3.400 0.415 -0.602 1.00 0.00 C ATOM 249 O LEU A 18 -4.018 1.397 -0.187 1.00 0.00 O ATOM 250 CB LEU A 18 -3.299 0.243 -3.095 1.00 0.00 C ATOM 251 CG LEU A 18 -4.517 1.145 -3.304 1.00 0.00 C ATOM 252 CD1 LEU A 18 -4.082 2.589 -3.507 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.340 0.663 -4.489 1.00 0.00 C ATOM 0 H LEU A 18 -1.370 -1.140 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.099 1.537 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.637 0.347 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.634 -0.794 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.140 1.096 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.961 3.217 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.535 2.931 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.438 2.655 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.202 1.316 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.727 0.682 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.682 -0.356 -4.305 1.00 0.00 H new ATOM 265 N HIS A 19 -3.474 -0.781 -0.030 1.00 0.00 N ATOM 266 CA HIS A 19 -4.305 -1.016 1.146 1.00 0.00 C ATOM 267 C HIS A 19 -3.541 -0.690 2.426 1.00 0.00 C ATOM 268 O HIS A 19 -4.122 -0.218 3.404 1.00 0.00 O ATOM 269 CB HIS A 19 -4.780 -2.470 1.179 1.00 0.00 C ATOM 270 CG HIS A 19 -5.893 -2.757 0.219 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.701 -3.123 -1.093 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.237 -2.726 0.406 1.00 0.00 C ATOM 273 CE1 HIS A 19 -6.906 -3.298 -1.653 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.872 -3.071 -0.784 1.00 0.00 N ATOM 0 H HIS A 19 -2.969 -1.603 -0.361 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.172 -0.359 1.084 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.938 -3.124 0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.110 -2.713 2.189 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.801 -3.240 -1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.735 -2.474 1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.065 -3.587 -2.681 1.00 0.00 H new ATOM 282 N LEU A 20 -2.238 -0.944 2.412 1.00 0.00 N ATOM 283 CA LEU A 20 -1.394 -0.678 3.573 1.00 0.00 C ATOM 284 C LEU A 20 -1.431 0.801 3.944 1.00 0.00 C ATOM 285 O LEU A 20 -1.699 1.157 5.092 1.00 0.00 O ATOM 286 CB LEU A 20 0.046 -1.112 3.292 1.00 0.00 C ATOM 287 CG LEU A 20 0.384 -2.543 3.713 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.331 -3.185 2.712 1.00 0.00 C ATOM 289 CD2 LEU A 20 0.991 -2.557 5.108 1.00 0.00 C ATOM 0 H LEU A 20 -1.742 -1.334 1.610 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.781 -1.254 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.239 -1.008 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.722 -0.429 3.806 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.538 -3.124 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.560 -4.203 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.861 -3.208 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.253 -2.605 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.226 -3.583 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.904 -1.961 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.279 -2.137 5.819 1.00 0.00 H new ATOM 301 N LEU A 21 -1.158 1.660 2.966 1.00 0.00 N ATOM 302 CA LEU A 21 -1.158 3.100 3.191 1.00 0.00 C ATOM 303 C LEU A 21 -2.567 3.608 3.482 1.00 0.00 C ATOM 304 O LEU A 21 -2.748 4.585 4.209 1.00 0.00 O ATOM 305 CB LEU A 21 -0.584 3.828 1.974 1.00 0.00 C ATOM 306 CG LEU A 21 0.779 3.321 1.499 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.170 3.991 0.190 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.837 3.565 2.564 1.00 0.00 C ATOM 0 H LEU A 21 -0.934 1.383 2.010 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.531 3.305 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.293 3.743 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.498 4.888 2.211 1.00 0.00 H new ATOM 0 HG LEU A 21 0.708 2.247 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.142 3.619 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.423 3.765 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.225 5.070 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.801 3.199 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.908 4.633 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.562 3.038 3.478 1.00 0.00 H new ATOM 320 N ALA A 22 -3.563 2.938 2.909 1.00 0.00 N ATOM 321 CA ALA A 22 -4.955 3.323 3.107 1.00 0.00 C ATOM 322 C ALA A 22 -5.331 3.289 4.585 1.00 0.00 C ATOM 323 O ALA A 22 -6.053 4.159 5.073 1.00 0.00 O ATOM 324 CB ALA A 22 -5.873 2.411 2.305 1.00 0.00 C ATOM 0 H ALA A 22 -3.431 2.127 2.305 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.077 4.347 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.910 2.709 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.629 2.490 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.739 1.380 2.633 1.00 0.00 H new ATOM 330 N LEU A 23 -4.836 2.279 5.293 1.00 0.00 N ATOM 331 CA LEU A 23 -5.121 2.132 6.716 1.00 0.00 C ATOM 332 C LEU A 23 -4.478 3.259 7.519 1.00 0.00 C ATOM 333 O LEU A 23 -5.158 3.979 8.250 1.00 0.00 O ATOM 334 CB LEU A 23 -4.616 0.779 7.220 1.00 0.00 C ATOM 335 CG LEU A 23 -5.558 -0.400 6.965 1.00 0.00 C ATOM 336 CD1 LEU A 23 -4.992 -1.675 7.568 1.00 0.00 C ATOM 337 CD2 LEU A 23 -6.940 -0.108 7.529 1.00 0.00 C ATOM 0 H LEU A 23 -4.236 1.551 4.905 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.201 2.184 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.657 0.567 6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.433 0.853 8.292 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.649 -0.542 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.675 -2.502 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.024 -1.892 7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.870 -1.546 8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.597 -0.957 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.866 0.061 8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.348 0.782 7.049 1.00 0.00 H new ATOM 349 N ARG A 24 -3.165 3.404 7.378 1.00 0.00 N ATOM 350 CA ARG A 24 -2.431 4.443 8.091 1.00 0.00 C ATOM 351 C ARG A 24 -1.071 4.692 7.441 1.00 0.00 C ATOM 352 O ARG A 24 -0.531 3.821 6.758 1.00 0.00 O ATOM 353 CB ARG A 24 -2.245 4.051 9.558 1.00 0.00 C ATOM 354 CG ARG A 24 -1.806 2.609 9.752 1.00 0.00 C ATOM 355 CD ARG A 24 -0.870 2.467 10.942 1.00 0.00 C ATOM 356 NE ARG A 24 -1.114 1.233 11.687 1.00 0.00 N ATOM 357 CZ ARG A 24 -0.257 0.715 12.563 1.00 0.00 C ATOM 358 NH1 ARG A 24 0.901 1.317 12.806 1.00 0.00 N ATOM 359 NH2 ARG A 24 -0.558 -0.409 13.199 1.00 0.00 N ATOM 0 H ARG A 24 -2.588 2.816 6.777 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.012 5.364 8.040 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.505 4.711 10.011 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.183 4.211 10.090 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.682 1.978 9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.306 2.255 8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.163 2.482 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.996 3.322 11.606 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.993 0.740 11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.138 2.182 12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.554 0.915 13.479 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.446 -0.876 13.017 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.099 -0.807 13.871 1.00 0.00 H new ATOM 373 N PRO A 25 -0.497 5.891 7.647 1.00 0.00 N ATOM 374 CA PRO A 25 0.805 6.250 7.079 1.00 0.00 C ATOM 375 C PRO A 25 1.882 5.219 7.400 1.00 0.00 C ATOM 376 O PRO A 25 2.242 5.024 8.561 1.00 0.00 O ATOM 377 CB PRO A 25 1.131 7.588 7.747 1.00 0.00 C ATOM 378 CG PRO A 25 -0.194 8.160 8.116 1.00 0.00 C ATOM 379 CD PRO A 25 -1.073 6.986 8.450 1.00 0.00 C ATOM 0 HA PRO A 25 0.773 6.299 5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.761 7.449 8.626 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.672 8.248 7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.104 8.835 8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.612 8.739 7.293 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.051 6.758 9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.113 7.174 8.185 1.00 0.00 H new ATOM 387 N TYR A 26 2.392 4.560 6.364 1.00 0.00 N ATOM 388 CA TYR A 26 3.427 3.549 6.536 1.00 0.00 C ATOM 389 C TYR A 26 4.764 4.038 5.988 1.00 0.00 C ATOM 390 O TYR A 26 4.886 4.344 4.802 1.00 0.00 O ATOM 391 CB TYR A 26 3.022 2.250 5.837 1.00 0.00 C ATOM 392 CG TYR A 26 2.283 1.283 6.735 1.00 0.00 C ATOM 393 CD1 TYR A 26 2.945 0.605 7.751 1.00 0.00 C ATOM 394 CD2 TYR A 26 0.924 1.049 6.568 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.274 -0.279 8.574 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.246 0.167 7.388 1.00 0.00 C ATOM 397 CZ TYR A 26 0.926 -0.494 8.389 1.00 0.00 C ATOM 398 OH TYR A 26 0.254 -1.374 9.207 1.00 0.00 O ATOM 0 H TYR A 26 2.105 4.709 5.397 1.00 0.00 H new ATOM 0 HA TYR A 26 3.540 3.360 7.604 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.393 2.490 4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.916 1.762 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.002 0.772 7.900 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.388 1.565 5.785 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.804 -0.799 9.359 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.811 -0.004 7.246 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.689 -1.410 8.944 1.00 0.00 H new ATOM 408 N ARG A 27 5.764 4.111 6.860 1.00 0.00 N ATOM 409 CA ARG A 27 7.092 4.564 6.464 1.00 0.00 C ATOM 410 C ARG A 27 7.805 3.500 5.636 1.00 0.00 C ATOM 411 O ARG A 27 7.329 2.371 5.516 1.00 0.00 O ATOM 412 CB ARG A 27 7.926 4.908 7.699 1.00 0.00 C ATOM 413 CG ARG A 27 7.213 5.826 8.678 1.00 0.00 C ATOM 414 CD ARG A 27 8.075 6.122 9.895 1.00 0.00 C ATOM 415 NE ARG A 27 7.863 5.150 10.965 1.00 0.00 N ATOM 416 CZ ARG A 27 8.202 5.360 12.235 1.00 0.00 C ATOM 417 NH1 ARG A 27 8.770 6.504 12.597 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.973 4.424 13.146 1.00 0.00 N ATOM 0 H ARG A 27 5.680 3.862 7.846 1.00 0.00 H new ATOM 0 HA ARG A 27 6.976 5.458 5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.199 3.985 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.854 5.382 7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.953 6.760 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.279 5.364 8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.126 6.118 9.605 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.850 7.123 10.264 1.00 0.00 H new ATOM 0 HE ARG A 27 7.430 4.258 10.725 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.949 7.227 11.901 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.028 6.659 13.572 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.537 3.543 12.874 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.233 4.585 14.119 1.00 0.00 H new ATOM 432 N LYS A 28 8.948 3.868 5.066 1.00 0.00 N ATOM 433 CA LYS A 28 9.728 2.944 4.249 1.00 0.00 C ATOM 434 C LYS A 28 10.177 1.739 5.069 1.00 0.00 C ATOM 435 O LYS A 28 10.064 0.597 4.625 1.00 0.00 O ATOM 436 CB LYS A 28 10.946 3.656 3.659 1.00 0.00 C ATOM 437 CG LYS A 28 10.648 4.406 2.372 1.00 0.00 C ATOM 438 CD LYS A 28 11.889 4.538 1.504 1.00 0.00 C ATOM 439 CE LYS A 28 12.309 3.197 0.922 1.00 0.00 C ATOM 440 NZ LYS A 28 13.771 2.959 1.073 1.00 0.00 N ATOM 0 H LYS A 28 9.355 4.799 5.155 1.00 0.00 H new ATOM 0 HA LYS A 28 9.093 2.592 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.339 4.357 4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.729 2.922 3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.869 3.884 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.261 5.397 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.695 5.242 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.706 4.950 2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.758 2.398 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.043 3.160 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.016 2.035 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.297 3.707 0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.022 2.968 2.082 1.00 0.00 H new ATOM 454 N ALA A 29 10.686 2.002 6.268 1.00 0.00 N ATOM 455 CA ALA A 29 11.153 0.939 7.149 1.00 0.00 C ATOM 456 C ALA A 29 9.981 0.181 7.763 1.00 0.00 C ATOM 457 O ALA A 29 10.040 -1.035 7.938 1.00 0.00 O ATOM 458 CB ALA A 29 12.043 1.515 8.241 1.00 0.00 C ATOM 0 H ALA A 29 10.785 2.942 6.651 1.00 0.00 H new ATOM 0 HA ALA A 29 11.735 0.235 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.386 0.711 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.904 2.006 7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.478 2.241 8.826 1.00 0.00 H new ATOM 464 N GLU A 30 8.917 0.908 8.089 1.00 0.00 N ATOM 465 CA GLU A 30 7.731 0.303 8.683 1.00 0.00 C ATOM 466 C GLU A 30 6.964 -0.518 7.651 1.00 0.00 C ATOM 467 O GLU A 30 6.326 -1.516 7.988 1.00 0.00 O ATOM 468 CB GLU A 30 6.822 1.384 9.273 1.00 0.00 C ATOM 469 CG GLU A 30 6.294 1.045 10.657 1.00 0.00 C ATOM 470 CD GLU A 30 5.062 1.849 11.024 1.00 0.00 C ATOM 471 OE1 GLU A 30 5.203 3.058 11.302 1.00 0.00 O ATOM 472 OE2 GLU A 30 3.956 1.267 11.036 1.00 0.00 O ATOM 0 H GLU A 30 8.852 1.917 7.952 1.00 0.00 H new ATOM 0 HA GLU A 30 8.055 -0.364 9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.373 2.323 9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.979 1.545 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.056 -0.018 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.075 1.227 11.395 1.00 0.00 H new ATOM 479 N LEU A 31 7.031 -0.093 6.394 1.00 0.00 N ATOM 480 CA LEU A 31 6.341 -0.789 5.314 1.00 0.00 C ATOM 481 C LEU A 31 7.166 -1.971 4.813 1.00 0.00 C ATOM 482 O LEU A 31 6.622 -3.025 4.482 1.00 0.00 O ATOM 483 CB LEU A 31 6.054 0.173 4.160 1.00 0.00 C ATOM 484 CG LEU A 31 5.227 -0.417 3.016 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.852 -0.836 3.513 1.00 0.00 C ATOM 486 CD2 LEU A 31 5.102 0.585 1.878 1.00 0.00 C ATOM 0 H LEU A 31 7.556 0.730 6.098 1.00 0.00 H new ATOM 0 HA LEU A 31 5.397 -1.168 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.531 1.044 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.003 0.527 3.757 1.00 0.00 H new ATOM 0 HG LEU A 31 5.740 -1.302 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.278 -1.253 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.961 -1.588 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.330 0.032 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.511 0.149 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.611 1.488 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.094 0.837 1.504 1.00 0.00 H new ATOM 498 N LEU A 32 8.481 -1.789 4.760 1.00 0.00 N ATOM 499 CA LEU A 32 9.381 -2.841 4.298 1.00 0.00 C ATOM 500 C LEU A 32 9.260 -4.084 5.174 1.00 0.00 C ATOM 501 O LEU A 32 9.149 -5.201 4.671 1.00 0.00 O ATOM 502 CB LEU A 32 10.827 -2.341 4.296 1.00 0.00 C ATOM 503 CG LEU A 32 11.224 -1.511 3.075 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.531 -0.776 3.330 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.341 -2.396 1.843 1.00 0.00 C ATOM 0 H LEU A 32 8.948 -0.924 5.031 1.00 0.00 H new ATOM 0 HA LEU A 32 9.096 -3.107 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.989 -1.742 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.493 -3.201 4.363 1.00 0.00 H new ATOM 0 HG LEU A 32 10.444 -0.771 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.797 -0.191 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.414 -0.111 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.320 -1.499 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.624 -1.788 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.100 -3.159 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.382 -2.876 1.647 1.00 0.00 H new ATOM 517 N LEU A 33 9.283 -3.880 6.487 1.00 0.00 N ATOM 518 CA LEU A 33 9.177 -4.985 7.434 1.00 0.00 C ATOM 519 C LEU A 33 7.789 -5.615 7.384 1.00 0.00 C ATOM 520 O LEU A 33 7.641 -6.827 7.541 1.00 0.00 O ATOM 521 CB LEU A 33 9.479 -4.499 8.852 1.00 0.00 C ATOM 522 CG LEU A 33 10.840 -3.826 9.031 1.00 0.00 C ATOM 523 CD1 LEU A 33 10.823 -2.899 10.236 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.935 -4.871 9.176 1.00 0.00 C ATOM 0 H LEU A 33 9.374 -2.961 6.920 1.00 0.00 H new ATOM 0 HA LEU A 33 9.909 -5.742 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.701 -3.796 9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.419 -5.349 9.531 1.00 0.00 H new ATOM 0 HG LEU A 33 11.049 -3.229 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.800 -2.429 10.347 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.065 -2.129 10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.592 -3.473 11.133 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.897 -4.375 9.303 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.731 -5.494 10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.963 -5.495 8.283 1.00 0.00 H new ATOM 536 N ARG A 34 6.775 -4.784 7.166 1.00 0.00 N ATOM 537 CA ARG A 34 5.398 -5.261 7.097 1.00 0.00 C ATOM 538 C ARG A 34 5.187 -6.142 5.869 1.00 0.00 C ATOM 539 O ARG A 34 4.726 -7.278 5.979 1.00 0.00 O ATOM 540 CB ARG A 34 4.427 -4.078 7.066 1.00 0.00 C ATOM 541 CG ARG A 34 3.229 -4.251 7.987 1.00 0.00 C ATOM 542 CD ARG A 34 2.320 -5.377 7.517 1.00 0.00 C ATOM 543 NE ARG A 34 0.995 -4.889 7.143 1.00 0.00 N ATOM 544 CZ ARG A 34 0.028 -5.668 6.662 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.233 -6.968 6.496 1.00 0.00 N ATOM 546 NH2 ARG A 34 -1.148 -5.143 6.346 1.00 0.00 N ATOM 0 H ARG A 34 6.880 -3.778 7.034 1.00 0.00 H new ATOM 0 HA ARG A 34 5.202 -5.859 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.963 -3.171 7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.073 -3.936 6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.575 -4.460 8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.664 -3.320 8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.776 -5.879 6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.223 -6.119 8.309 1.00 0.00 H new ATOM 0 HE ARG A 34 0.799 -3.894 7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.136 -7.377 6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.512 -7.559 6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.311 -4.144 6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.890 -5.738 5.977 1.00 0.00 H new ATOM 560 N LEU A 35 5.528 -5.609 4.700 1.00 0.00 N ATOM 561 CA LEU A 35 5.376 -6.346 3.450 1.00 0.00 C ATOM 562 C LEU A 35 6.202 -7.630 3.470 1.00 0.00 C ATOM 563 O LEU A 35 5.846 -8.616 2.826 1.00 0.00 O ATOM 564 CB LEU A 35 5.797 -5.474 2.266 1.00 0.00 C ATOM 565 CG LEU A 35 4.822 -4.350 1.912 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.512 -3.292 1.066 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.608 -4.908 1.186 1.00 0.00 C ATOM 0 H LEU A 35 5.911 -4.670 4.592 1.00 0.00 H new ATOM 0 HA LEU A 35 4.325 -6.614 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.770 -5.035 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.925 -6.112 1.392 1.00 0.00 H new ATOM 0 HG LEU A 35 4.484 -3.882 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.803 -2.500 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.350 -2.871 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.879 -3.745 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.925 -4.095 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.928 -5.401 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.100 -5.628 1.827 1.00 0.00 H new ATOM 579 N GLN A 36 7.304 -7.609 4.212 1.00 0.00 N ATOM 580 CA GLN A 36 8.179 -8.772 4.315 1.00 0.00 C ATOM 581 C GLN A 36 7.418 -9.983 4.844 1.00 0.00 C ATOM 582 O GLN A 36 7.734 -11.123 4.507 1.00 0.00 O ATOM 583 CB GLN A 36 9.368 -8.461 5.228 1.00 0.00 C ATOM 584 CG GLN A 36 10.688 -9.015 4.717 1.00 0.00 C ATOM 585 CD GLN A 36 11.699 -9.229 5.827 1.00 0.00 C ATOM 586 OE1 GLN A 36 11.916 -8.352 6.662 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.322 -10.402 5.840 1.00 0.00 N ATOM 0 H GLN A 36 7.613 -6.800 4.751 1.00 0.00 H new ATOM 0 HA GLN A 36 8.548 -9.008 3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.456 -7.380 5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.171 -8.870 6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.508 -9.961 4.207 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.104 -8.330 3.979 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.110 -11.100 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.012 -10.605 6.563 1.00 0.00 H new ATOM 596 N LYS A 37 6.412 -9.728 5.676 1.00 0.00 N ATOM 597 CA LYS A 37 5.605 -10.797 6.252 1.00 0.00 C ATOM 598 C LYS A 37 4.921 -11.612 5.159 1.00 0.00 C ATOM 599 O LYS A 37 5.033 -12.836 5.122 1.00 0.00 O ATOM 600 CB LYS A 37 4.558 -10.217 7.204 1.00 0.00 C ATOM 601 CG LYS A 37 5.138 -9.727 8.521 1.00 0.00 C ATOM 602 CD LYS A 37 4.133 -8.887 9.293 1.00 0.00 C ATOM 603 CE LYS A 37 4.606 -8.620 10.714 1.00 0.00 C ATOM 604 NZ LYS A 37 5.662 -7.572 10.759 1.00 0.00 N ATOM 0 H LYS A 37 6.137 -8.790 5.966 1.00 0.00 H new ATOM 0 HA LYS A 37 6.267 -11.458 6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.049 -9.389 6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.805 -10.977 7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.442 -10.581 9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.035 -9.138 8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.976 -7.940 8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.172 -9.400 9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.759 -8.309 11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.991 -9.543 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.958 -7.419 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.480 -7.879 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.287 -6.684 10.368 1.00 0.00 H new ATOM 618 N ASP A 38 4.211 -10.922 4.271 1.00 0.00 N ATOM 619 CA ASP A 38 3.509 -11.582 3.177 1.00 0.00 C ATOM 620 C ASP A 38 4.486 -12.037 2.099 1.00 0.00 C ATOM 621 O ASP A 38 4.402 -13.162 1.604 1.00 0.00 O ATOM 622 CB ASP A 38 2.465 -10.641 2.571 1.00 0.00 C ATOM 623 CG ASP A 38 1.407 -11.384 1.779 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.779 -12.155 0.870 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.207 -11.193 2.068 1.00 0.00 O ATOM 0 H ASP A 38 4.107 -9.907 4.288 1.00 0.00 H new ATOM 0 HA ASP A 38 3.006 -12.461 3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.986 -10.073 3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.963 -9.921 1.921 1.00 0.00 H new ATOM 630 N GLY A 39 5.414 -11.156 1.738 1.00 0.00 N ATOM 631 CA GLY A 39 6.394 -11.487 0.720 1.00 0.00 C ATOM 632 C GLY A 39 7.084 -10.258 0.159 1.00 0.00 C ATOM 633 O GLY A 39 6.430 -9.351 -0.354 1.00 0.00 O ATOM 0 H GLY A 39 5.505 -10.220 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.141 -12.158 1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.904 -12.027 -0.090 1.00 0.00 H new ATOM 637 N LEU A 40 8.409 -10.231 0.258 1.00 0.00 N ATOM 638 CA LEU A 40 9.189 -9.105 -0.242 1.00 0.00 C ATOM 639 C LEU A 40 10.610 -9.538 -0.589 1.00 0.00 C ATOM 640 O LEU A 40 11.188 -10.396 0.079 1.00 0.00 O ATOM 641 CB LEU A 40 9.226 -7.980 0.794 1.00 0.00 C ATOM 642 CG LEU A 40 9.930 -6.701 0.336 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.929 -5.729 -0.270 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.667 -6.054 1.500 1.00 0.00 C ATOM 0 H LEU A 40 8.965 -10.975 0.680 1.00 0.00 H new ATOM 0 HA LEU A 40 8.708 -8.738 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.203 -7.732 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.723 -8.349 1.691 1.00 0.00 H new ATOM 0 HG LEU A 40 10.660 -6.964 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.447 -4.825 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.445 -6.193 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.176 -5.471 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.162 -5.146 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.956 -5.805 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.411 -6.748 1.890 1.00 0.00 H new ATOM 656 N THR A 41 11.166 -8.939 -1.637 1.00 0.00 N ATOM 657 CA THR A 41 12.520 -9.264 -2.072 1.00 0.00 C ATOM 658 C THR A 41 13.265 -8.007 -2.511 1.00 0.00 C ATOM 659 O THR A 41 12.737 -6.897 -2.423 1.00 0.00 O ATOM 660 CB THR A 41 12.482 -10.275 -3.218 1.00 0.00 C ATOM 661 OG1 THR A 41 13.794 -10.601 -3.643 1.00 0.00 O ATOM 662 CG2 THR A 41 11.716 -9.782 -4.427 1.00 0.00 C ATOM 0 H THR A 41 10.701 -8.227 -2.200 1.00 0.00 H new ATOM 0 HA THR A 41 13.051 -9.704 -1.228 1.00 0.00 H new ATOM 0 HB THR A 41 11.969 -11.148 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 41 14.313 -10.929 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.728 -10.548 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.685 -9.570 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.182 -8.873 -4.807 1.00 0.00 H new ATOM 670 N GLN A 42 14.493 -8.188 -2.984 1.00 0.00 N ATOM 671 CA GLN A 42 15.310 -7.069 -3.437 1.00 0.00 C ATOM 672 C GLN A 42 14.639 -6.338 -4.597 1.00 0.00 C ATOM 673 O GLN A 42 14.801 -5.128 -4.758 1.00 0.00 O ATOM 674 CB GLN A 42 16.697 -7.563 -3.859 1.00 0.00 C ATOM 675 CG GLN A 42 17.836 -6.889 -3.112 1.00 0.00 C ATOM 676 CD GLN A 42 18.048 -5.451 -3.545 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.238 -5.169 -4.728 1.00 0.00 O ATOM 678 NE2 GLN A 42 18.015 -4.533 -2.586 1.00 0.00 N ATOM 0 H GLN A 42 14.944 -9.099 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 42 15.418 -6.370 -2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.755 -8.639 -3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.824 -7.393 -4.928 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.630 -6.916 -2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.755 -7.452 -3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.854 -4.812 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.150 -3.549 -2.817 1.00 0.00 H new ATOM 687 N ALA A 43 13.886 -7.081 -5.401 1.00 0.00 N ATOM 688 CA ALA A 43 13.191 -6.502 -6.545 1.00 0.00 C ATOM 689 C ALA A 43 12.101 -5.536 -6.094 1.00 0.00 C ATOM 690 O ALA A 43 12.000 -4.419 -6.600 1.00 0.00 O ATOM 691 CB ALA A 43 12.597 -7.602 -7.412 1.00 0.00 C ATOM 0 H ALA A 43 13.741 -8.084 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 43 13.917 -5.941 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.081 -7.156 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.394 -8.252 -7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.889 -8.187 -6.824 1.00 0.00 H new ATOM 697 N ASP A 44 11.288 -5.974 -5.138 1.00 0.00 N ATOM 698 CA ASP A 44 10.206 -5.147 -4.617 1.00 0.00 C ATOM 699 C ASP A 44 10.748 -4.028 -3.734 1.00 0.00 C ATOM 700 O ASP A 44 10.150 -2.956 -3.636 1.00 0.00 O ATOM 701 CB ASP A 44 9.218 -6.005 -3.824 1.00 0.00 C ATOM 702 CG ASP A 44 8.578 -7.085 -4.674 1.00 0.00 C ATOM 703 OD1 ASP A 44 8.530 -6.916 -5.911 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.122 -8.099 -4.103 1.00 0.00 O ATOM 0 H ASP A 44 11.358 -6.897 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 44 9.689 -4.696 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.736 -6.467 -2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.440 -5.366 -3.407 1.00 0.00 H new ATOM 709 N LYS A 45 11.884 -4.285 -3.092 1.00 0.00 N ATOM 710 CA LYS A 45 12.506 -3.297 -2.216 1.00 0.00 C ATOM 711 C LYS A 45 12.855 -2.027 -2.987 1.00 0.00 C ATOM 712 O LYS A 45 12.838 -0.928 -2.431 1.00 0.00 O ATOM 713 CB LYS A 45 13.765 -3.882 -1.571 1.00 0.00 C ATOM 714 CG LYS A 45 13.599 -4.205 -0.094 1.00 0.00 C ATOM 715 CD LYS A 45 14.709 -3.589 0.742 1.00 0.00 C ATOM 716 CE LYS A 45 14.705 -2.072 0.641 1.00 0.00 C ATOM 717 NZ LYS A 45 15.538 -1.441 1.701 1.00 0.00 N ATOM 0 H LYS A 45 12.392 -5.167 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 45 11.792 -3.038 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.047 -4.790 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.586 -3.175 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.634 -3.836 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.596 -5.286 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.589 -3.886 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.673 -3.974 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.077 -1.773 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.681 -1.706 0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.389 -0.412 1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.267 -1.823 2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.542 -1.646 1.522 1.00 0.00 H new ATOM 731 N ASP A 46 13.169 -2.185 -4.268 1.00 0.00 N ATOM 732 CA ASP A 46 13.520 -1.051 -5.115 1.00 0.00 C ATOM 733 C ASP A 46 12.284 -0.478 -5.801 1.00 0.00 C ATOM 734 O ASP A 46 12.206 0.723 -6.060 1.00 0.00 O ATOM 735 CB ASP A 46 14.550 -1.470 -6.165 1.00 0.00 C ATOM 736 CG ASP A 46 15.969 -1.436 -5.630 1.00 0.00 C ATOM 737 OD1 ASP A 46 16.206 -1.999 -4.541 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.842 -0.847 -6.301 1.00 0.00 O ATOM 0 H ASP A 46 13.188 -3.088 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 46 13.952 -0.278 -4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.320 -2.477 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.474 -0.809 -7.028 1.00 0.00 H new ATOM 743 N ALA A 47 11.320 -1.344 -6.091 1.00 0.00 N ATOM 744 CA ALA A 47 10.087 -0.926 -6.748 1.00 0.00 C ATOM 745 C ALA A 47 9.118 -0.293 -5.752 1.00 0.00 C ATOM 746 O ALA A 47 8.272 0.519 -6.126 1.00 0.00 O ATOM 747 CB ALA A 47 9.432 -2.109 -7.445 1.00 0.00 C ATOM 0 H ALA A 47 11.368 -2.341 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 47 10.341 -0.174 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.513 -1.782 -7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.114 -2.514 -8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.200 -2.881 -6.711 1.00 0.00 H new ATOM 753 N LEU A 48 9.243 -0.674 -4.483 1.00 0.00 N ATOM 754 CA LEU A 48 8.376 -0.144 -3.437 1.00 0.00 C ATOM 755 C LEU A 48 8.446 1.379 -3.384 1.00 0.00 C ATOM 756 O LEU A 48 7.419 2.058 -3.375 1.00 0.00 O ATOM 757 CB LEU A 48 8.766 -0.731 -2.078 1.00 0.00 C ATOM 758 CG LEU A 48 7.795 -0.423 -0.937 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.510 -1.219 -1.101 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.441 -0.722 0.407 1.00 0.00 C ATOM 0 H LEU A 48 9.936 -1.347 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 48 7.351 -0.432 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.853 -1.813 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.753 -0.355 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 48 7.548 0.638 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.831 -0.987 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.038 -0.957 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.739 -2.285 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.736 -0.497 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.717 -1.776 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.334 -0.108 0.526 1.00 0.00 H new ATOM 772 N ASP A 49 9.664 1.910 -3.348 1.00 0.00 N ATOM 773 CA ASP A 49 9.869 3.354 -3.295 1.00 0.00 C ATOM 774 C ASP A 49 9.224 4.041 -4.495 1.00 0.00 C ATOM 775 O ASP A 49 8.652 5.124 -4.369 1.00 0.00 O ATOM 776 CB ASP A 49 11.363 3.676 -3.251 1.00 0.00 C ATOM 777 CG ASP A 49 11.634 5.101 -2.807 1.00 0.00 C ATOM 778 OD1 ASP A 49 11.285 6.034 -3.560 1.00 0.00 O ATOM 779 OD2 ASP A 49 12.194 5.283 -1.705 1.00 0.00 O ATOM 0 H ASP A 49 10.524 1.362 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 49 9.396 3.729 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.861 2.985 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.795 3.518 -4.239 1.00 0.00 H new ATOM 784 N GLY A 50 9.319 3.405 -5.657 1.00 0.00 N ATOM 785 CA GLY A 50 8.741 3.970 -6.862 1.00 0.00 C ATOM 786 C GLY A 50 7.226 3.905 -6.867 1.00 0.00 C ATOM 787 O GLY A 50 6.566 4.722 -7.508 1.00 0.00 O ATOM 0 H GLY A 50 9.786 2.508 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.057 5.009 -6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.127 3.436 -7.731 1.00 0.00 H new ATOM 791 N LEU A 51 6.675 2.930 -6.151 1.00 0.00 N ATOM 792 CA LEU A 51 5.228 2.761 -6.077 1.00 0.00 C ATOM 793 C LEU A 51 4.613 3.747 -5.089 1.00 0.00 C ATOM 794 O LEU A 51 3.594 4.375 -5.377 1.00 0.00 O ATOM 795 CB LEU A 51 4.882 1.328 -5.666 1.00 0.00 C ATOM 796 CG LEU A 51 3.571 0.788 -6.244 1.00 0.00 C ATOM 797 CD1 LEU A 51 3.844 -0.109 -7.441 1.00 0.00 C ATOM 798 CD2 LEU A 51 2.788 0.033 -5.179 1.00 0.00 C ATOM 0 H LEU A 51 7.208 2.246 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 51 4.814 2.960 -7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.695 0.671 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.829 1.281 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 51 2.970 1.634 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.900 -0.483 -7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.362 0.461 -8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.466 -0.949 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.859 -0.343 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.384 -0.803 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.559 0.704 -4.351 1.00 0.00 H new ATOM 810 N LEU A 52 5.237 3.877 -3.922 1.00 0.00 N ATOM 811 CA LEU A 52 4.751 4.787 -2.891 1.00 0.00 C ATOM 812 C LEU A 52 4.685 6.219 -3.412 1.00 0.00 C ATOM 813 O LEU A 52 3.715 6.935 -3.167 1.00 0.00 O ATOM 814 CB LEU A 52 5.652 4.722 -1.656 1.00 0.00 C ATOM 815 CG LEU A 52 5.782 3.337 -1.021 1.00 0.00 C ATOM 816 CD1 LEU A 52 6.995 3.283 -0.105 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.517 2.982 -0.255 1.00 0.00 C ATOM 0 H LEU A 52 6.081 3.363 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 52 3.744 4.475 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.646 5.073 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.266 5.413 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 52 5.919 2.604 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.072 2.290 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.896 3.494 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.887 4.026 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.627 1.993 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.349 3.718 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.667 2.980 -0.937 1.00 0.00 H new ATOM 829 N GLN A 53 5.724 6.630 -4.132 1.00 0.00 N ATOM 830 CA GLN A 53 5.786 7.976 -4.687 1.00 0.00 C ATOM 831 C GLN A 53 4.604 8.241 -5.617 1.00 0.00 C ATOM 832 O GLN A 53 4.187 9.385 -5.795 1.00 0.00 O ATOM 833 CB GLN A 53 7.100 8.179 -5.443 1.00 0.00 C ATOM 834 CG GLN A 53 8.322 8.212 -4.540 1.00 0.00 C ATOM 835 CD GLN A 53 8.704 9.620 -4.126 1.00 0.00 C ATOM 836 OE1 GLN A 53 7.852 10.504 -4.031 1.00 0.00 O ATOM 837 NE2 GLN A 53 9.992 9.836 -3.880 1.00 0.00 N ATOM 0 H GLN A 53 6.535 6.049 -4.345 1.00 0.00 H new ATOM 0 HA GLN A 53 5.737 8.683 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.218 7.377 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.047 9.113 -6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.127 7.616 -3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.163 7.748 -5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.663 9.074 -3.971 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.309 10.764 -3.600 1.00 0.00 H new ATOM 846 N GLN A 54 4.071 7.177 -6.210 1.00 0.00 N ATOM 847 CA GLN A 54 2.940 7.298 -7.124 1.00 0.00 C ATOM 848 C GLN A 54 1.617 7.155 -6.378 1.00 0.00 C ATOM 849 O GLN A 54 0.743 8.018 -6.471 1.00 0.00 O ATOM 850 CB GLN A 54 3.035 6.243 -8.228 1.00 0.00 C ATOM 851 CG GLN A 54 3.651 6.765 -9.516 1.00 0.00 C ATOM 852 CD GLN A 54 2.876 6.341 -10.748 1.00 0.00 C ATOM 853 OE1 GLN A 54 1.702 5.980 -10.664 1.00 0.00 O ATOM 854 NE2 GLN A 54 3.532 6.378 -11.902 1.00 0.00 N ATOM 0 H GLN A 54 4.404 6.222 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 54 2.974 8.290 -7.575 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.627 5.403 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.037 5.861 -8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.697 7.853 -9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.677 6.405 -9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.505 6.684 -11.926 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.063 6.101 -12.764 1.00 0.00 H new ATOM 863 N VAL A 55 1.473 6.059 -5.639 1.00 0.00 N ATOM 864 CA VAL A 55 0.253 5.803 -4.882 1.00 0.00 C ATOM 865 C VAL A 55 0.409 6.225 -3.424 1.00 0.00 C ATOM 866 O VAL A 55 -0.133 5.586 -2.522 1.00 0.00 O ATOM 867 CB VAL A 55 -0.138 4.314 -4.935 1.00 0.00 C ATOM 868 CG1 VAL A 55 -0.500 3.906 -6.355 1.00 0.00 C ATOM 869 CG2 VAL A 55 0.988 3.446 -4.394 1.00 0.00 C ATOM 0 H VAL A 55 2.186 5.335 -5.549 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.536 6.396 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.015 4.166 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.773 2.851 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.342 4.505 -6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.356 4.070 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.693 2.398 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.885 3.597 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.194 3.720 -3.359 1.00 0.00 H new ATOM 879 N ALA A 56 1.151 7.304 -3.200 1.00 0.00 N ATOM 880 CA ALA A 56 1.375 7.811 -1.851 1.00 0.00 C ATOM 881 C ALA A 56 2.204 9.090 -1.877 1.00 0.00 C ATOM 882 O ALA A 56 2.694 9.503 -2.928 1.00 0.00 O ATOM 883 CB ALA A 56 2.057 6.755 -0.995 1.00 0.00 C ATOM 0 H ALA A 56 1.607 7.844 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 56 0.405 8.046 -1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.217 7.148 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.426 5.868 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.017 6.491 -1.439 1.00 0.00 H new ATOM 889 N ASN A 57 2.357 9.713 -0.712 1.00 0.00 N ATOM 890 CA ASN A 57 3.129 10.946 -0.601 1.00 0.00 C ATOM 891 C ASN A 57 4.217 10.813 0.461 1.00 0.00 C ATOM 892 O ASN A 57 3.948 10.408 1.592 1.00 0.00 O ATOM 893 CB ASN A 57 2.209 12.119 -0.260 1.00 0.00 C ATOM 894 CG ASN A 57 1.099 12.298 -1.277 1.00 0.00 C ATOM 895 OD1 ASN A 57 1.349 12.648 -2.431 1.00 0.00 O ATOM 896 ND2 ASN A 57 -0.137 12.058 -0.854 1.00 0.00 N ATOM 0 H ASN A 57 1.957 9.385 0.167 1.00 0.00 H new ATOM 0 HA ASN A 57 3.606 11.135 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.772 11.960 0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.798 13.035 -0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.924 12.162 -1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.299 11.770 0.111 1.00 0.00 H new ATOM 903 N MET A 58 5.445 11.156 0.088 1.00 0.00 N ATOM 904 CA MET A 58 6.574 11.076 1.008 1.00 0.00 C ATOM 905 C MET A 58 6.600 12.280 1.944 1.00 0.00 C ATOM 906 O MET A 58 6.699 13.423 1.498 1.00 0.00 O ATOM 907 CB MET A 58 7.888 10.991 0.229 1.00 0.00 C ATOM 908 CG MET A 58 8.922 10.084 0.877 1.00 0.00 C ATOM 909 SD MET A 58 9.900 9.172 -0.332 1.00 0.00 S ATOM 910 CE MET A 58 10.742 8.000 0.730 1.00 0.00 C ATOM 0 H MET A 58 5.684 11.492 -0.845 1.00 0.00 H new ATOM 0 HA MET A 58 6.458 10.175 1.610 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.681 10.630 -0.778 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.307 11.992 0.129 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.587 10.684 1.499 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.418 9.379 1.538 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.550 7.522 0.176 1.00 0.00 H new ATOM 0 HE2 MET A 58 11.154 8.522 1.594 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.035 7.242 1.068 1.00 0.00 H new ATOM 920 N SER A 59 6.510 12.015 3.244 1.00 0.00 N ATOM 921 CA SER A 59 6.523 13.077 4.242 1.00 0.00 C ATOM 922 C SER A 59 7.896 13.738 4.316 1.00 0.00 C ATOM 923 O SER A 59 8.872 13.224 3.770 1.00 0.00 O ATOM 924 CB SER A 59 6.136 12.521 5.614 1.00 0.00 C ATOM 925 OG SER A 59 5.755 13.561 6.497 1.00 0.00 O ATOM 0 H SER A 59 6.427 11.074 3.630 1.00 0.00 H new ATOM 0 HA SER A 59 5.793 13.830 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.314 11.814 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.976 11.970 6.037 1.00 0.00 H new ATOM 0 HG SER A 59 5.511 13.179 7.366 1.00 0.00 H new ATOM 931 N ALA A 60 7.964 14.877 4.997 1.00 0.00 N ATOM 932 CA ALA A 60 9.218 15.607 5.143 1.00 0.00 C ATOM 933 C ALA A 60 9.621 15.717 6.609 1.00 0.00 C ATOM 934 O ALA A 60 10.249 16.695 7.018 1.00 0.00 O ATOM 935 CB ALA A 60 9.097 16.990 4.520 1.00 0.00 C ATOM 0 H ALA A 60 7.165 15.315 5.457 1.00 0.00 H new ATOM 0 HA ALA A 60 9.997 15.052 4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.040 17.525 4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.863 16.892 3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.302 17.545 5.018 1.00 0.00 H new ATOM 941 N LYS A 61 9.259 14.709 7.395 1.00 0.00 N ATOM 942 CA LYS A 61 9.585 14.694 8.816 1.00 0.00 C ATOM 943 C LYS A 61 10.170 13.346 9.226 1.00 0.00 C ATOM 944 O LYS A 61 11.222 13.282 9.861 1.00 0.00 O ATOM 945 CB LYS A 61 8.339 14.997 9.651 1.00 0.00 C ATOM 946 CG LYS A 61 8.644 15.314 11.106 1.00 0.00 C ATOM 947 CD LYS A 61 7.748 16.421 11.636 1.00 0.00 C ATOM 948 CE LYS A 61 8.130 16.817 13.054 1.00 0.00 C ATOM 949 NZ LYS A 61 7.232 17.872 13.598 1.00 0.00 N ATOM 0 H LYS A 61 8.740 13.892 7.072 1.00 0.00 H new ATOM 0 HA LYS A 61 10.333 15.466 8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.811 15.841 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.666 14.141 9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.511 14.417 11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.688 15.612 11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.818 17.291 10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.710 16.090 11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.091 15.939 13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.159 17.175 13.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.526 18.113 14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.288 18.719 12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.253 17.522 13.611 1.00 0.00 H new ATOM 963 N ASP A 62 9.481 12.271 8.858 1.00 0.00 N ATOM 964 CA ASP A 62 9.934 10.924 9.187 1.00 0.00 C ATOM 965 C ASP A 62 9.842 10.002 7.974 1.00 0.00 C ATOM 966 O ASP A 62 9.732 8.785 8.115 1.00 0.00 O ATOM 967 CB ASP A 62 9.105 10.352 10.339 1.00 0.00 C ATOM 968 CG ASP A 62 9.709 10.661 11.695 1.00 0.00 C ATOM 969 OD1 ASP A 62 9.917 11.857 11.994 1.00 0.00 O ATOM 970 OD2 ASP A 62 9.973 9.710 12.458 1.00 0.00 O ATOM 0 H ASP A 62 8.608 12.306 8.332 1.00 0.00 H new ATOM 0 HA ASP A 62 10.978 10.986 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.095 10.759 10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.019 9.272 10.220 1.00 0.00 H new ATOM 975 N GLY A 63 9.888 10.590 6.781 1.00 0.00 N ATOM 976 CA GLY A 63 9.809 9.805 5.561 1.00 0.00 C ATOM 977 C GLY A 63 8.588 8.907 5.521 1.00 0.00 C ATOM 978 O GLY A 63 8.598 7.864 4.867 1.00 0.00 O ATOM 0 H GLY A 63 9.979 11.596 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.789 10.476 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.707 9.194 5.468 1.00 0.00 H new ATOM 982 N THR A 64 7.534 9.310 6.223 1.00 0.00 N ATOM 983 CA THR A 64 6.301 8.534 6.265 1.00 0.00 C ATOM 984 C THR A 64 5.498 8.715 4.981 1.00 0.00 C ATOM 985 O THR A 64 5.333 9.833 4.493 1.00 0.00 O ATOM 986 CB THR A 64 5.454 8.945 7.471 1.00 0.00 C ATOM 987 OG1 THR A 64 6.277 9.410 8.526 1.00 0.00 O ATOM 988 CG2 THR A 64 4.603 7.818 8.016 1.00 0.00 C ATOM 0 H THR A 64 7.510 10.170 6.771 1.00 0.00 H new ATOM 0 HA THR A 64 6.569 7.482 6.359 1.00 0.00 H new ATOM 0 HB THR A 64 4.795 9.733 7.107 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.717 9.670 9.287 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.028 8.177 8.870 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.922 7.469 7.240 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.246 6.996 8.331 1.00 0.00 H new ATOM 996 N CYS A 65 5.002 7.608 4.438 1.00 0.00 N ATOM 997 CA CYS A 65 4.216 7.644 3.210 1.00 0.00 C ATOM 998 C CYS A 65 2.728 7.776 3.521 1.00 0.00 C ATOM 999 O CYS A 65 2.209 7.108 4.415 1.00 0.00 O ATOM 1000 CB CYS A 65 4.466 6.381 2.384 1.00 0.00 C ATOM 1001 SG CYS A 65 6.186 6.167 1.867 1.00 0.00 S ATOM 0 H CYS A 65 5.130 6.675 4.829 1.00 0.00 H new ATOM 0 HA CYS A 65 4.527 8.515 2.633 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.162 5.512 2.967 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.832 6.408 1.498 1.00 0.00 H new ATOM 0 HG CYS A 65 6.714 5.172 2.516 1.00 0.00 H new ATOM 1007 N THR A 66 2.048 8.640 2.775 1.00 0.00 N ATOM 1008 CA THR A 66 0.619 8.859 2.970 1.00 0.00 C ATOM 1009 C THR A 66 -0.136 8.730 1.652 1.00 0.00 C ATOM 1010 O THR A 66 0.184 9.404 0.672 1.00 0.00 O ATOM 1011 CB THR A 66 0.371 10.239 3.580 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.184 11.216 2.956 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.646 10.295 5.067 1.00 0.00 C ATOM 0 H THR A 66 2.463 9.200 2.030 1.00 0.00 H new ATOM 0 HA THR A 66 0.251 8.096 3.655 1.00 0.00 H new ATOM 0 HB THR A 66 -0.687 10.441 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.010 12.092 3.359 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.450 11.302 5.436 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.002 9.587 5.584 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.688 10.036 5.254 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.141 7.860 1.633 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.942 7.643 0.434 1.00 0.00 C ATOM 1023 C LEU A 67 -2.638 8.930 0.004 1.00 0.00 C ATOM 1024 O LEU A 67 -2.982 9.769 0.837 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.978 6.545 0.679 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.635 5.982 -0.581 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.781 4.873 -1.178 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -5.033 5.470 -0.269 1.00 0.00 C ATOM 0 H LEU A 67 -1.420 7.294 2.434 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.273 7.329 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.498 5.727 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.757 6.941 1.331 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.718 6.784 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.264 4.484 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.800 5.270 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.667 4.070 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.486 5.073 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.973 4.682 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.643 6.288 0.113 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.845 9.079 -1.300 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.500 10.264 -1.839 1.00 0.00 C ATOM 1042 C GLN A 68 -5.011 10.190 -1.636 1.00 0.00 C ATOM 1043 O GLN A 68 -5.588 9.104 -1.591 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.181 10.416 -3.328 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.711 10.213 -3.657 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.316 10.850 -4.975 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -2.096 11.583 -5.583 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -0.097 10.573 -5.424 1.00 0.00 N ATOM 0 H GLN A 68 -2.568 8.394 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.121 11.134 -1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.774 9.698 -3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.485 11.410 -3.657 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.102 10.634 -2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.495 9.145 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.517 9.960 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.225 10.973 -6.305 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.644 11.352 -1.514 1.00 0.00 N ATOM 1058 CA ASP A 69 -7.088 11.419 -1.315 1.00 0.00 C ATOM 1059 C ASP A 69 -7.828 10.774 -2.483 1.00 0.00 C ATOM 1060 O ASP A 69 -8.904 10.201 -2.307 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.533 12.874 -1.151 1.00 0.00 C ATOM 1062 CG ASP A 69 -7.918 13.203 0.277 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -7.023 13.211 1.147 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -9.117 13.453 0.526 1.00 0.00 O ATOM 0 H ASP A 69 -5.180 12.260 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.332 10.868 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.727 13.536 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.382 13.068 -1.807 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.245 10.870 -3.673 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.850 10.294 -4.868 1.00 0.00 C ATOM 1071 C CYS A 70 -7.583 8.794 -4.946 1.00 0.00 C ATOM 1072 O CYS A 70 -8.461 8.016 -5.320 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.310 10.985 -6.121 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.101 10.451 -7.658 1.00 0.00 S ATOM 0 H CYS A 70 -6.355 11.341 -3.836 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.927 10.450 -4.810 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.440 12.062 -6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.238 10.798 -6.193 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.579 11.093 -8.661 1.00 0.00 H new ATOM 1080 N MET A 71 -6.367 8.396 -4.589 1.00 0.00 N ATOM 1081 CA MET A 71 -5.983 6.989 -4.617 1.00 0.00 C ATOM 1082 C MET A 71 -6.874 6.161 -3.696 1.00 0.00 C ATOM 1083 O MET A 71 -7.064 4.964 -3.913 1.00 0.00 O ATOM 1084 CB MET A 71 -4.519 6.830 -4.207 1.00 0.00 C ATOM 1085 CG MET A 71 -3.535 7.260 -5.283 1.00 0.00 C ATOM 1086 SD MET A 71 -3.721 6.319 -6.810 1.00 0.00 S ATOM 1087 CE MET A 71 -3.872 4.655 -6.167 1.00 0.00 C ATOM 0 H MET A 71 -5.630 9.028 -4.277 1.00 0.00 H new ATOM 0 HA MET A 71 -6.109 6.625 -5.637 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.337 7.415 -3.306 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.333 5.787 -3.952 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.674 8.320 -5.495 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.518 7.141 -4.909 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.709 3.938 -6.972 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.129 4.498 -5.385 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.870 4.514 -5.752 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.418 6.804 -2.666 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.287 6.124 -1.712 1.00 0.00 C ATOM 1099 C TYR A 72 -9.472 5.472 -2.419 1.00 0.00 C ATOM 1100 O TYR A 72 -9.978 4.440 -1.981 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.789 7.110 -0.655 1.00 0.00 C ATOM 1102 CG TYR A 72 -7.950 7.129 0.603 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.032 6.099 1.531 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.076 8.177 0.861 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.266 6.113 2.682 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.307 8.198 2.009 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.406 7.164 2.916 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.642 7.182 4.060 1.00 0.00 O ATOM 0 H TYR A 72 -7.272 7.795 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.705 5.342 -1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.807 8.112 -1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.816 6.857 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.705 5.274 1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.996 8.989 0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.341 5.304 3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.632 9.020 2.195 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.579 6.275 4.426 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.907 6.080 -3.518 1.00 0.00 N ATOM 1119 CA LYS A 73 -11.031 5.557 -4.287 1.00 0.00 C ATOM 1120 C LYS A 73 -10.713 4.172 -4.841 1.00 0.00 C ATOM 1121 O LYS A 73 -11.607 3.344 -5.020 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.379 6.510 -5.433 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.773 7.903 -4.967 1.00 0.00 C ATOM 1124 CD LYS A 73 -13.264 8.148 -5.133 1.00 0.00 C ATOM 1125 CE LYS A 73 -14.069 7.442 -4.054 1.00 0.00 C ATOM 1126 NZ LYS A 73 -15.488 7.248 -4.456 1.00 0.00 N ATOM 0 H LYS A 73 -9.499 6.935 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.889 5.474 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.522 6.588 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.198 6.084 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.498 8.028 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.216 8.648 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.464 9.219 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.584 7.798 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.617 6.474 -3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.029 8.023 -3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.002 6.763 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.927 8.173 -4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.528 6.672 -5.321 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.435 3.926 -5.111 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.999 2.641 -5.646 1.00 0.00 C ATOM 1142 C ASP A 74 -9.074 1.549 -4.582 1.00 0.00 C ATOM 1143 O ASP A 74 -9.165 0.364 -4.903 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.570 2.748 -6.182 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.469 3.679 -7.374 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.515 4.910 -7.172 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -7.342 3.176 -8.510 1.00 0.00 O ATOM 0 H ASP A 74 -8.683 4.600 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.669 2.372 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.913 3.105 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.216 1.757 -6.467 1.00 0.00 H new ATOM 1152 N VAL A 75 -9.035 1.952 -3.315 1.00 0.00 N ATOM 1153 CA VAL A 75 -9.097 1.004 -2.208 1.00 0.00 C ATOM 1154 C VAL A 75 -10.346 0.131 -2.299 1.00 0.00 C ATOM 1155 O VAL A 75 -11.451 0.632 -2.511 1.00 0.00 O ATOM 1156 CB VAL A 75 -9.086 1.725 -0.846 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -9.010 0.720 0.294 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.932 2.715 -0.772 1.00 0.00 C ATOM 0 H VAL A 75 -8.961 2.929 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.210 0.374 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.018 2.281 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.003 1.250 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.875 0.058 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.097 0.131 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.942 3.214 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.988 2.184 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.038 3.457 -1.563 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.161 -1.174 -2.138 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.272 -2.117 -2.201 1.00 0.00 C ATOM 1170 C GLN A 76 -11.886 -2.329 -0.821 1.00 0.00 C ATOM 1171 O GLN A 76 -11.394 -1.799 0.176 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.800 -3.456 -2.772 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.071 -3.328 -4.100 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.286 -4.575 -4.455 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -9.321 -5.571 -3.733 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.571 -4.527 -5.573 1.00 0.00 N ATOM 0 H GLN A 76 -9.253 -1.604 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.034 -1.697 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.140 -3.937 -2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.662 -4.110 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.794 -3.121 -4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.393 -2.476 -4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.571 -3.681 -6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.022 -5.337 -5.863 1.00 0.00 H new ATOM 1185 N LYS A 77 -12.961 -3.108 -0.771 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.642 -3.391 0.487 1.00 0.00 C ATOM 1187 C LYS A 77 -13.459 -4.851 0.889 1.00 0.00 C ATOM 1188 O LYS A 77 -13.433 -5.180 2.076 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.133 -3.065 0.369 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.489 -1.666 0.844 1.00 0.00 C ATOM 1191 CD LYS A 77 -15.988 -1.677 2.280 1.00 0.00 C ATOM 1192 CE LYS A 77 -17.306 -2.426 2.410 1.00 0.00 C ATOM 1193 NZ LYS A 77 -17.132 -3.744 3.081 1.00 0.00 N ATOM 0 H LYS A 77 -13.380 -3.555 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.200 -2.762 1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.439 -3.175 -0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.702 -3.792 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.614 -1.020 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.256 -1.244 0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.240 -2.142 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.115 -0.652 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.013 -1.821 2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.737 -2.577 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.741 -4.451 2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.139 -4.043 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.394 -3.660 4.084 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.333 -5.723 -0.104 1.00 0.00 N ATOM 1208 CA ASP A 78 -13.154 -7.149 0.147 1.00 0.00 C ATOM 1209 C ASP A 78 -11.684 -7.544 0.031 1.00 0.00 C ATOM 1210 O ASP A 78 -11.342 -8.512 -0.649 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.996 -7.970 -0.833 1.00 0.00 C ATOM 1212 CG ASP A 78 -15.420 -8.162 -0.350 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -16.230 -7.223 -0.502 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -15.726 -9.250 0.180 1.00 0.00 O ATOM 0 H ASP A 78 -13.351 -5.468 -1.091 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.486 -7.358 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.008 -7.473 -1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.530 -8.945 -0.980 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.819 -6.789 0.701 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.387 -7.063 0.673 1.00 0.00 C ATOM 1221 C TRP A 79 -9.017 -8.125 1.708 1.00 0.00 C ATOM 1222 O TRP A 79 -9.253 -7.944 2.903 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.597 -5.780 0.940 1.00 0.00 C ATOM 1224 CG TRP A 79 -7.114 -5.968 0.858 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -6.214 -5.844 1.877 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.356 -6.313 -0.308 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.943 -6.090 1.417 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -5.003 -6.381 0.080 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.689 -6.572 -1.640 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.987 -6.697 -0.819 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.678 -6.885 -2.531 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.342 -6.947 -2.116 1.00 0.00 C ATOM 0 H TRP A 79 -11.084 -5.984 1.269 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.133 -7.440 -0.318 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.900 -5.019 0.221 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.854 -5.403 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.465 -5.590 2.896 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -4.093 -6.061 1.980 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.717 -6.529 -1.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.955 -6.743 -0.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.923 -7.085 -3.564 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.576 -7.197 -2.835 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.431 -9.254 1.267 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.035 -10.340 2.171 1.00 0.00 C ATOM 1245 C PRO A 80 -7.155 -9.852 3.317 1.00 0.00 C ATOM 1246 O PRO A 80 -7.115 -10.463 4.385 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.250 -11.292 1.264 1.00 0.00 C ATOM 1248 CG PRO A 80 -7.768 -11.025 -0.106 1.00 0.00 C ATOM 1249 CD PRO A 80 -8.110 -9.562 -0.140 1.00 0.00 C ATOM 0 HA PRO A 80 -8.898 -10.801 2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.178 -11.103 1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.408 -12.332 1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.020 -11.269 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.645 -11.636 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.275 -8.962 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.955 -9.362 -0.798 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.452 -8.747 3.088 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.583 -8.197 4.112 1.00 0.00 C ATOM 1259 C GLY A 81 -6.326 -7.870 5.393 1.00 0.00 C ATOM 1260 O GLY A 81 -5.828 -8.124 6.489 1.00 0.00 O ATOM 0 H GLY A 81 -6.469 -8.223 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.788 -8.910 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.106 -7.293 3.732 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.521 -7.306 5.254 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.334 -6.946 6.410 1.00 0.00 C ATOM 1266 C TYR A 82 -9.092 -8.157 6.941 1.00 0.00 C ATOM 1267 O TYR A 82 -9.254 -9.157 6.242 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.319 -5.835 6.039 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.677 -4.668 5.321 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.453 -4.160 5.740 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.293 -4.077 4.227 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.864 -3.094 5.087 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.711 -3.011 3.569 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.496 -2.523 4.003 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.912 -1.462 3.351 1.00 0.00 O ATOM 0 H TYR A 82 -7.948 -7.088 4.353 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.668 -6.586 7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.103 -6.253 5.407 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.801 -5.471 6.946 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.955 -4.605 6.589 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.244 -4.457 3.884 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.913 -2.710 5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.204 -2.562 2.720 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.980 -1.373 3.641 1.00 0.00 H new ATOM 1285 N SER A 83 -9.556 -8.060 8.183 1.00 0.00 N ATOM 1286 CA SER A 83 -10.298 -9.148 8.809 1.00 0.00 C ATOM 1287 C SER A 83 -11.510 -8.615 9.565 1.00 0.00 C ATOM 1288 O SER A 83 -12.649 -8.962 9.257 1.00 0.00 O ATOM 1289 CB SER A 83 -9.392 -9.930 9.761 1.00 0.00 C ATOM 1290 OG SER A 83 -10.135 -10.868 10.519 1.00 0.00 O ATOM 0 H SER A 83 -9.431 -7.239 8.775 1.00 0.00 H new ATOM 0 HA SER A 83 -10.648 -9.816 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.621 -10.448 9.190 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.882 -9.239 10.432 1.00 0.00 H new ATOM 0 HG SER A 83 -9.532 -11.355 11.118 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.256 -7.768 10.558 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.326 -7.187 11.359 1.00 0.00 C ATOM 1298 C GLU A 84 -11.896 -5.849 11.954 1.00 0.00 C ATOM 1299 O GLU A 84 -12.622 -4.858 11.870 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.737 -8.149 12.477 1.00 0.00 C ATOM 1301 CG GLU A 84 -13.945 -9.003 12.131 1.00 0.00 C ATOM 1302 CD GLU A 84 -14.085 -10.209 13.039 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -13.616 -10.140 14.195 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -14.663 -11.223 12.595 1.00 0.00 O ATOM 0 H GLU A 84 -10.318 -7.469 10.826 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.182 -7.015 10.706 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.896 -8.802 12.711 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.954 -7.575 13.377 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.847 -8.395 12.199 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.864 -9.339 11.097 1.00 0.00 H new ATOM 1311 N GLY A 85 -10.712 -5.829 12.557 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.206 -4.608 13.157 1.00 0.00 C ATOM 1313 C GLY A 85 -9.672 -3.632 12.128 1.00 0.00 C ATOM 1314 O GLY A 85 -9.688 -2.420 12.345 1.00 0.00 O ATOM 0 H GLY A 85 -10.094 -6.636 12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.003 -4.130 13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.414 -4.856 13.863 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.198 -4.160 11.003 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.656 -3.326 9.937 1.00 0.00 C ATOM 1320 C ASP A 86 -9.764 -2.841 9.008 1.00 0.00 C ATOM 1321 O ASP A 86 -9.682 -1.749 8.444 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.607 -4.102 9.137 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.492 -4.637 10.013 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -5.876 -3.836 10.746 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -6.234 -5.859 9.965 1.00 0.00 O ATOM 0 H ASP A 86 -9.179 -5.161 10.807 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.184 -2.457 10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.089 -4.932 8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.184 -3.452 8.371 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.800 -3.658 8.852 1.00 0.00 N ATOM 1331 CA GLN A 87 -11.925 -3.312 7.992 1.00 0.00 C ATOM 1332 C GLN A 87 -12.631 -2.056 8.494 1.00 0.00 C ATOM 1333 O GLN A 87 -12.821 -1.097 7.746 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.918 -4.473 7.923 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.592 -5.488 6.839 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.704 -6.500 6.635 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.869 -6.137 6.478 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -13.347 -7.779 6.641 1.00 0.00 N ATOM 0 H GLN A 87 -10.884 -4.565 9.311 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.536 -3.114 6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.940 -4.979 8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.918 -4.075 7.748 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.405 -4.965 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.673 -6.012 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.369 -8.035 6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.051 -8.506 6.512 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.018 -2.070 9.766 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.703 -0.933 10.368 1.00 0.00 C ATOM 1349 C GLN A 88 -12.806 0.301 10.383 1.00 0.00 C ATOM 1350 O GLN A 88 -13.272 1.423 10.178 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.142 -1.274 11.793 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.156 -2.405 11.863 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.059 -2.305 13.077 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -15.953 -1.368 13.868 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -16.953 -3.275 13.230 1.00 0.00 N ATOM 0 H GLN A 88 -12.869 -2.856 10.399 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.583 -0.711 9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.264 -1.547 12.379 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.570 -0.384 12.255 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.766 -2.397 10.960 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -14.629 -3.359 11.884 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.005 -4.033 12.549 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.587 -3.262 14.029 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.517 0.086 10.626 1.00 0.00 N ATOM 1365 CA LEU A 89 -10.554 1.181 10.668 1.00 0.00 C ATOM 1366 C LEU A 89 -10.447 1.866 9.310 1.00 0.00 C ATOM 1367 O LEU A 89 -10.227 3.074 9.229 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.182 0.663 11.101 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.156 1.747 11.434 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.428 2.336 12.809 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -6.744 1.183 11.363 1.00 0.00 C ATOM 0 H LEU A 89 -11.115 -0.836 10.797 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.905 1.913 11.395 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.311 0.025 11.976 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.780 0.036 10.305 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.246 2.545 10.696 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.688 3.105 13.028 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.425 2.776 12.825 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.367 1.549 13.561 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.026 1.968 11.603 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.642 0.367 12.078 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.551 0.810 10.357 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.603 1.086 8.244 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.522 1.620 6.889 1.00 0.00 C ATOM 1385 C LEU A 90 -11.715 2.520 6.583 1.00 0.00 C ATOM 1386 O LEU A 90 -11.610 3.458 5.794 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.458 0.476 5.873 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.372 0.915 4.410 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.927 1.181 4.017 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.989 -0.139 3.502 1.00 0.00 C ATOM 0 H LEU A 90 -10.786 0.084 8.293 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.613 2.217 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.592 -0.145 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.341 -0.150 5.997 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.934 1.841 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.885 1.492 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.518 1.970 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.341 0.271 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.920 0.189 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.453 -1.081 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.036 -0.281 3.769 1.00 0.00 H new ATOM 1402 N LYS A 91 -12.848 2.227 7.211 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.061 3.009 7.005 1.00 0.00 C ATOM 1404 C LYS A 91 -13.896 4.427 7.544 1.00 0.00 C ATOM 1405 O LYS A 91 -14.242 5.400 6.875 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.253 2.329 7.683 1.00 0.00 C ATOM 1407 CG LYS A 91 -16.021 1.391 6.765 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.474 1.818 6.616 1.00 0.00 C ATOM 1409 CE LYS A 91 -18.398 0.617 6.497 1.00 0.00 C ATOM 1410 NZ LYS A 91 -19.105 0.331 7.776 1.00 0.00 N ATOM 0 H LYS A 91 -12.952 1.453 7.867 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.246 3.068 5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -14.897 1.768 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.933 3.094 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.545 1.370 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.978 0.377 7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.767 2.420 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.580 2.449 5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.130 0.799 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.820 -0.258 6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.725 -0.495 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.407 0.132 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.677 1.156 8.048 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.367 4.536 8.758 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.158 5.834 9.388 1.00 0.00 C ATOM 1426 C ARG A 92 -12.133 6.662 8.617 1.00 0.00 C ATOM 1427 O ARG A 92 -12.150 7.892 8.671 1.00 0.00 O ATOM 1428 CB ARG A 92 -12.701 5.654 10.836 1.00 0.00 C ATOM 1429 CG ARG A 92 -11.384 4.907 10.971 1.00 0.00 C ATOM 1430 CD ARG A 92 -10.736 5.157 12.324 1.00 0.00 C ATOM 1431 NE ARG A 92 -10.950 4.045 13.247 1.00 0.00 N ATOM 1432 CZ ARG A 92 -10.438 3.991 14.474 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -9.682 4.984 14.930 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -10.681 2.943 15.249 1.00 0.00 N ATOM 0 H ARG A 92 -13.075 3.740 9.325 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.108 6.369 9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.602 6.635 11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.472 5.116 11.387 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.556 3.839 10.841 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.705 5.219 10.178 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.666 5.316 12.190 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.142 6.071 12.757 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.526 3.264 12.932 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.492 5.793 14.339 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.292 4.937 15.871 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.261 2.178 14.905 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.288 2.902 16.189 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.241 5.983 7.902 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.211 6.662 7.123 1.00 0.00 C ATOM 1450 C VAL A 93 -10.775 7.197 5.810 1.00 0.00 C ATOM 1451 O VAL A 93 -10.624 8.377 5.493 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.026 5.725 6.816 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -7.905 6.486 6.125 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -8.522 5.064 8.090 1.00 0.00 C ATOM 0 H VAL A 93 -11.211 4.965 7.846 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.857 7.496 7.730 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.374 4.943 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.078 5.807 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.273 6.906 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.559 7.291 6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.686 4.407 7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.193 5.830 8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.326 4.481 8.540 1.00 0.00 H new ATOM 1464 N LEU A 94 -11.421 6.320 5.048 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.003 6.702 3.766 1.00 0.00 C ATOM 1466 C LEU A 94 -13.005 7.841 3.935 1.00 0.00 C ATOM 1467 O LEU A 94 -12.962 8.831 3.205 1.00 0.00 O ATOM 1468 CB LEU A 94 -12.690 5.499 3.116 1.00 0.00 C ATOM 1469 CG LEU A 94 -11.742 4.471 2.495 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.337 3.075 2.583 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.438 4.833 1.049 1.00 0.00 C ATOM 0 H LEU A 94 -11.555 5.340 5.296 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.195 7.047 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.302 4.999 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.367 5.861 2.342 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.807 4.481 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -11.649 2.357 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -12.504 2.816 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.286 3.049 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.762 4.091 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.365 4.851 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.968 5.816 1.011 1.00 0.00 H new ATOM 1483 N VAL A 95 -13.906 7.693 4.900 1.00 0.00 N ATOM 1484 CA VAL A 95 -14.920 8.709 5.162 1.00 0.00 C ATOM 1485 C VAL A 95 -14.282 10.031 5.576 1.00 0.00 C ATOM 1486 O VAL A 95 -14.839 11.102 5.334 1.00 0.00 O ATOM 1487 CB VAL A 95 -15.898 8.256 6.264 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.033 9.256 6.416 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.440 6.866 5.960 1.00 0.00 C ATOM 0 H VAL A 95 -13.955 6.880 5.514 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.472 8.851 4.233 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.355 8.211 7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -17.713 8.919 7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -16.626 10.231 6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -17.576 9.337 5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.129 6.563 6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -16.966 6.881 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.614 6.157 5.908 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.113 9.951 6.204 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.403 11.144 6.652 1.00 0.00 C ATOM 1501 C ARG A 96 -11.747 11.864 5.477 1.00 0.00 C ATOM 1502 O ARG A 96 -11.644 13.090 5.468 1.00 0.00 O ATOM 1503 CB ARG A 96 -11.347 10.772 7.696 1.00 0.00 C ATOM 1504 CG ARG A 96 -11.685 11.248 9.100 1.00 0.00 C ATOM 1505 CD ARG A 96 -13.016 10.685 9.574 1.00 0.00 C ATOM 1506 NE ARG A 96 -13.672 11.569 10.536 1.00 0.00 N ATOM 1507 CZ ARG A 96 -14.969 11.514 10.828 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -15.753 10.619 10.237 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -15.485 12.354 11.715 1.00 0.00 N ATOM 0 H ARG A 96 -12.638 9.073 6.414 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.129 11.819 7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.226 9.689 7.708 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.388 11.197 7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.895 10.946 9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.723 12.337 9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.671 10.532 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.855 9.708 10.030 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.102 12.269 11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.361 9.969 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.746 10.582 10.465 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.888 13.042 12.173 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.479 12.312 11.939 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.305 11.094 4.489 1.00 0.00 N ATOM 1524 CA LYS A 97 -10.658 11.660 3.311 1.00 0.00 C ATOM 1525 C LYS A 97 -11.691 12.081 2.271 1.00 0.00 C ATOM 1526 O LYS A 97 -11.651 13.202 1.762 1.00 0.00 O ATOM 1527 CB LYS A 97 -9.686 10.648 2.701 1.00 0.00 C ATOM 1528 CG LYS A 97 -8.523 10.295 3.614 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.429 11.347 3.552 1.00 0.00 C ATOM 1530 CE LYS A 97 -6.276 11.007 4.482 1.00 0.00 C ATOM 1531 NZ LYS A 97 -5.173 12.003 4.389 1.00 0.00 N ATOM 0 H LYS A 97 -11.383 10.077 4.480 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.103 12.544 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.231 9.737 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.294 11.050 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.880 10.199 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.115 9.326 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.061 11.431 2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.842 12.319 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.639 10.963 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.892 10.017 4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.407 11.734 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.808 12.027 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.532 12.944 4.648 1.00 0.00 H new ATOM 1545 N LEU A 98 -12.612 11.177 1.957 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.654 11.456 0.976 1.00 0.00 C ATOM 1547 C LEU A 98 -14.767 12.301 1.588 1.00 0.00 C ATOM 1548 O LEU A 98 -15.117 12.134 2.757 1.00 0.00 O ATOM 1549 CB LEU A 98 -14.234 10.149 0.431 1.00 0.00 C ATOM 1550 CG LEU A 98 -13.199 9.082 0.073 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -13.847 7.707 0.016 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -12.529 9.413 -1.253 1.00 0.00 C ATOM 0 H LEU A 98 -12.658 10.244 2.368 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.204 12.017 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.918 9.736 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -14.824 10.374 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.435 9.069 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.095 6.961 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.279 7.468 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -14.632 7.706 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.795 8.643 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.281 9.454 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.030 10.379 -1.177 1.00 0.00 H new ATOM 1564 N SER A 99 -15.319 13.210 0.790 1.00 0.00 N ATOM 1565 CA SER A 99 -16.392 14.083 1.253 1.00 0.00 C ATOM 1566 C SER A 99 -17.658 13.282 1.538 1.00 0.00 C ATOM 1567 O SER A 99 -17.633 12.051 1.570 1.00 0.00 O ATOM 1568 CB SER A 99 -16.682 15.165 0.211 1.00 0.00 C ATOM 1569 OG SER A 99 -17.339 16.275 0.797 1.00 0.00 O ATOM 0 H SER A 99 -15.041 13.361 -0.180 1.00 0.00 H new ATOM 0 HA SER A 99 -16.068 14.558 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.749 15.492 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 99 -17.301 14.751 -0.585 1.00 0.00 H new ATOM 0 HG SER A 99 -17.511 16.953 0.111 1.00 0.00 H new ATOM 1575 N GLY A 100 -18.766 13.987 1.744 1.00 0.00 N ATOM 1576 CA GLY A 100 -20.025 13.324 2.024 1.00 0.00 C ATOM 1577 C GLY A 100 -20.915 14.133 2.951 1.00 0.00 C ATOM 1578 O GLY A 100 -20.712 14.129 4.165 1.00 0.00 O ATOM 0 H GLY A 100 -18.814 15.006 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -20.552 13.142 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -19.827 12.351 2.473 1.00 0.00 H new ATOM 1582 N PRO A 101 -21.920 14.844 2.407 1.00 0.00 N ATOM 1583 CA PRO A 101 -22.836 15.658 3.212 1.00 0.00 C ATOM 1584 C PRO A 101 -23.420 14.882 4.388 1.00 0.00 C ATOM 1585 O PRO A 101 -24.102 13.875 4.203 1.00 0.00 O ATOM 1586 CB PRO A 101 -23.937 16.036 2.221 1.00 0.00 C ATOM 1587 CG PRO A 101 -23.274 16.001 0.888 1.00 0.00 C ATOM 1588 CD PRO A 101 -22.240 14.911 0.968 1.00 0.00 C ATOM 0 HA PRO A 101 -22.334 16.516 3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -24.770 15.334 2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -24.341 17.025 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -23.997 15.796 0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -22.812 16.961 0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -22.628 13.962 0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -21.359 15.149 0.372 1.00 0.00 H new ATOM 1596 N SER A 102 -23.147 15.359 5.599 1.00 0.00 N ATOM 1597 CA SER A 102 -23.645 14.710 6.805 1.00 0.00 C ATOM 1598 C SER A 102 -24.357 15.712 7.709 1.00 0.00 C ATOM 1599 O SER A 102 -23.775 16.718 8.116 1.00 0.00 O ATOM 1600 CB SER A 102 -22.494 14.049 7.567 1.00 0.00 C ATOM 1601 OG SER A 102 -22.951 13.456 8.770 1.00 0.00 O ATOM 0 H SER A 102 -22.584 16.192 5.770 1.00 0.00 H new ATOM 0 HA SER A 102 -24.361 13.945 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 102 -22.027 13.291 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 102 -21.729 14.792 7.792 1.00 0.00 H new ATOM 0 HG SER A 102 -22.197 13.039 9.237 1.00 0.00 H new ATOM 1607 N SER A 103 -25.618 15.431 8.017 1.00 0.00 N ATOM 1608 CA SER A 103 -26.410 16.308 8.872 1.00 0.00 C ATOM 1609 C SER A 103 -26.099 16.057 10.344 1.00 0.00 C ATOM 1610 O SER A 103 -25.333 15.155 10.682 1.00 0.00 O ATOM 1611 CB SER A 103 -27.902 16.099 8.611 1.00 0.00 C ATOM 1612 OG SER A 103 -28.139 15.743 7.260 1.00 0.00 O ATOM 0 H SER A 103 -26.114 14.603 7.688 1.00 0.00 H new ATOM 0 HA SER A 103 -26.148 17.339 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 103 -28.283 15.318 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 103 -28.448 17.012 8.851 1.00 0.00 H new ATOM 0 HG SER A 103 -29.100 15.613 7.120 1.00 0.00 H new ATOM 1618 N GLY A 104 -26.700 16.861 11.216 1.00 0.00 N ATOM 1619 CA GLY A 104 -26.476 16.709 12.641 1.00 0.00 C ATOM 1620 C GLY A 104 -25.038 16.988 13.035 1.00 0.00 C ATOM 1621 O GLY A 104 -24.174 17.032 12.134 1.00 0.00 O ATOM 1622 OXT GLY A 104 -24.777 17.163 14.243 1.00 0.00 O ATOM 0 H GLY A 104 -27.338 17.615 10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -27.136 17.386 13.184 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -26.742 15.695 12.941 1.00 0.00 H new TER 1626 GLY A 104