USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.0743 (180deg=0) USER MOD Single : A 4 MET CE :methyl 179:sc= -0.136 (180deg=-0.138) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.0443 (180deg=-0.0443) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.138 F(o=-1.8,f=-0.14) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 12:sc= 0.565 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 25 THR OG1 : rot 51:sc= -0.839 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -20:sc= -2.57 USER MOD Single : A 34 THR OG1 : rot -42:sc= 0.841 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc=-0.00607 F(o=-0.59,f=-0.0061) USER MOD Single : A 42 MET CE :methyl -146:sc= 0 (180deg=-0.212) USER MOD Single : A 43 MET CE :methyl -148:sc= -3.86! (180deg=-5.67!) USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.0647 USER MOD Single : A 57 ASN : amide:sc= -0.325 X(o=-0.33,f=-0.071) USER MOD Single : A 61 SER OG : rot 80:sc= 0.163 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl -176:sc= -1.04 (180deg=-1.07) USER MOD Single : A 71 LYS NZ :NH3+ 145:sc= -1.5 (180deg=-4.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.813 -1.313 1.124 1.00 0.00 N ATOM 2 CA ALA A 1 5.781 -1.168 -0.326 1.00 0.00 C ATOM 3 C ALA A 1 4.876 -2.216 -0.964 1.00 0.00 C ATOM 4 O ALA A 1 4.611 -3.263 -0.373 1.00 0.00 O ATOM 5 CB ALA A 1 7.188 -1.266 -0.897 1.00 0.00 C ATOM 0 H1 ALA A 1 5.374 -0.480 1.566 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.288 -2.168 1.399 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.799 -1.395 1.443 1.00 0.00 H new ATOM 0 HA ALA A 1 5.373 -0.184 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.149 -1.156 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.808 -0.476 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.616 -2.237 -0.646 1.00 0.00 H new ATOM 11 N ASP A 2 4.404 -1.928 -2.172 1.00 0.00 N ATOM 12 CA ASP A 2 3.528 -2.847 -2.890 1.00 0.00 C ATOM 13 C ASP A 2 4.200 -3.356 -4.161 1.00 0.00 C ATOM 14 O ASP A 2 5.359 -3.042 -4.431 1.00 0.00 O ATOM 15 CB ASP A 2 2.207 -2.159 -3.237 1.00 0.00 C ATOM 16 CG ASP A 2 2.409 -0.764 -3.796 1.00 0.00 C ATOM 17 OD1 ASP A 2 3.280 -0.599 -4.675 1.00 0.00 O ATOM 18 OD2 ASP A 2 1.698 0.162 -3.353 1.00 0.00 O ATOM 0 H ASP A 2 4.613 -1.065 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 2 3.325 -3.699 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.666 -2.764 -3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.585 -2.103 -2.344 1.00 0.00 H new ATOM 23 N ASP A 3 3.464 -4.144 -4.938 1.00 0.00 N ATOM 24 CA ASP A 3 3.989 -4.698 -6.181 1.00 0.00 C ATOM 25 C ASP A 3 3.017 -4.461 -7.333 1.00 0.00 C ATOM 26 O ASP A 3 3.269 -3.636 -8.210 1.00 0.00 O ATOM 27 CB ASP A 3 4.259 -6.195 -6.024 1.00 0.00 C ATOM 28 CG ASP A 3 3.330 -6.848 -5.019 1.00 0.00 C ATOM 29 OD1 ASP A 3 2.232 -7.285 -5.423 1.00 0.00 O ATOM 30 OD2 ASP A 3 3.702 -6.923 -3.829 1.00 0.00 O ATOM 0 H ASP A 3 2.503 -4.413 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 3 4.926 -4.191 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.146 -6.685 -6.991 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.292 -6.344 -5.710 1.00 0.00 H new ATOM 35 N MET A 4 1.908 -5.193 -7.324 1.00 0.00 N ATOM 36 CA MET A 4 0.899 -5.063 -8.369 1.00 0.00 C ATOM 37 C MET A 4 0.557 -3.597 -8.615 1.00 0.00 C ATOM 38 O MET A 4 0.405 -3.170 -9.759 1.00 0.00 O ATOM 39 CB MET A 4 -0.365 -5.836 -7.986 1.00 0.00 C ATOM 40 CG MET A 4 -0.138 -7.330 -7.825 1.00 0.00 C ATOM 41 SD MET A 4 -0.597 -8.265 -9.297 1.00 0.00 S ATOM 42 CE MET A 4 1.003 -8.487 -10.070 1.00 0.00 C ATOM 0 H MET A 4 1.685 -5.882 -6.605 1.00 0.00 H new ATOM 0 HA MET A 4 1.308 -5.482 -9.288 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.758 -5.434 -7.052 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.126 -5.673 -8.749 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.912 -7.511 -7.597 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.716 -7.692 -6.975 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.887 -9.065 -10.987 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.431 -7.513 -10.307 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.666 -9.018 -9.387 1.00 0.00 H new ATOM 52 N GLU A 5 0.438 -2.832 -7.534 1.00 0.00 N ATOM 53 CA GLU A 5 0.113 -1.414 -7.635 1.00 0.00 C ATOM 54 C GLU A 5 1.111 -0.690 -8.534 1.00 0.00 C ATOM 55 O GLU A 5 0.735 0.175 -9.326 1.00 0.00 O ATOM 56 CB GLU A 5 0.101 -0.771 -6.247 1.00 0.00 C ATOM 57 CG GLU A 5 -0.933 0.333 -6.096 1.00 0.00 C ATOM 58 CD GLU A 5 -1.670 0.264 -4.772 1.00 0.00 C ATOM 59 OE1 GLU A 5 -2.300 -0.778 -4.498 1.00 0.00 O ATOM 60 OE2 GLU A 5 -1.616 1.253 -4.011 1.00 0.00 O ATOM 0 H GLU A 5 0.562 -3.170 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.879 -1.325 -8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.091 -1.542 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.089 -0.363 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.441 1.301 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.652 0.266 -6.912 1.00 0.00 H new ATOM 67 N ARG A 6 2.384 -1.049 -8.406 1.00 0.00 N ATOM 68 CA ARG A 6 3.436 -0.433 -9.205 1.00 0.00 C ATOM 69 C ARG A 6 3.215 -0.696 -10.691 1.00 0.00 C ATOM 70 O ARG A 6 3.054 0.236 -11.479 1.00 0.00 O ATOM 71 CB ARG A 6 4.806 -0.965 -8.780 1.00 0.00 C ATOM 72 CG ARG A 6 5.192 -0.589 -7.358 1.00 0.00 C ATOM 73 CD ARG A 6 5.876 0.768 -7.307 1.00 0.00 C ATOM 74 NE ARG A 6 6.131 1.201 -5.936 1.00 0.00 N ATOM 75 CZ ARG A 6 5.213 1.766 -5.160 1.00 0.00 C ATOM 76 NH1 ARG A 6 3.985 1.965 -5.619 1.00 0.00 N ATOM 77 NH2 ARG A 6 5.522 2.133 -3.923 1.00 0.00 N ATOM 0 H ARG A 6 2.712 -1.764 -7.756 1.00 0.00 H new ATOM 0 HA ARG A 6 3.403 0.643 -9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.809 -2.051 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.563 -0.584 -9.466 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.301 -0.572 -6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.857 -1.349 -6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.818 0.720 -7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.253 1.507 -7.811 1.00 0.00 H new ATOM 0 HE ARG A 6 7.066 1.062 -5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.744 1.684 -6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.281 2.399 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.466 1.981 -3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.816 2.567 -3.328 1.00 0.00 H new ATOM 91 N ILE A 7 3.209 -1.971 -11.066 1.00 0.00 N ATOM 92 CA ILE A 7 3.007 -2.356 -12.457 1.00 0.00 C ATOM 93 C ILE A 7 1.695 -1.798 -12.998 1.00 0.00 C ATOM 94 O ILE A 7 1.653 -1.227 -14.087 1.00 0.00 O ATOM 95 CB ILE A 7 3.007 -3.888 -12.623 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.213 -4.500 -11.907 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.014 -4.261 -14.098 1.00 0.00 C ATOM 98 CD1 ILE A 7 3.867 -5.140 -10.581 1.00 0.00 C ATOM 0 H ILE A 7 3.342 -2.754 -10.426 1.00 0.00 H new ATOM 0 HA ILE A 7 3.838 -1.937 -13.024 1.00 0.00 H new ATOM 0 HB ILE A 7 2.099 -4.288 -12.172 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.669 -5.249 -12.555 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.960 -3.724 -11.743 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.014 -5.346 -14.199 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.127 -3.852 -14.581 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.906 -3.853 -14.572 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.769 -5.553 -10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.439 -4.390 -9.916 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.143 -5.939 -10.741 1.00 0.00 H new ATOM 110 N PHE A 8 0.625 -1.965 -12.227 1.00 0.00 N ATOM 111 CA PHE A 8 -0.689 -1.477 -12.628 1.00 0.00 C ATOM 112 C PHE A 8 -0.625 -0.006 -13.027 1.00 0.00 C ATOM 113 O PHE A 8 -1.246 0.412 -14.005 1.00 0.00 O ATOM 114 CB PHE A 8 -1.695 -1.664 -11.490 1.00 0.00 C ATOM 115 CG PHE A 8 -3.055 -1.104 -11.793 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.982 -1.847 -12.506 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.406 0.166 -11.366 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.234 -1.334 -12.787 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.657 0.684 -11.643 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.572 -0.067 -12.355 1.00 0.00 C ATOM 0 H PHE A 8 0.643 -2.434 -11.322 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.015 -2.056 -13.492 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.790 -2.728 -11.271 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.307 -1.186 -10.590 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.723 -2.839 -12.846 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.694 0.758 -10.810 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.947 -1.924 -13.344 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.919 1.675 -11.303 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.550 0.336 -12.573 1.00 0.00 H new ATOM 130 N LYS A 9 0.131 0.775 -12.264 1.00 0.00 N ATOM 131 CA LYS A 9 0.280 2.200 -12.536 1.00 0.00 C ATOM 132 C LYS A 9 1.312 2.440 -13.634 1.00 0.00 C ATOM 133 O LYS A 9 1.327 3.497 -14.265 1.00 0.00 O ATOM 134 CB LYS A 9 0.691 2.944 -11.264 1.00 0.00 C ATOM 135 CG LYS A 9 -0.437 3.097 -10.258 1.00 0.00 C ATOM 136 CD LYS A 9 0.056 3.708 -8.957 1.00 0.00 C ATOM 137 CE LYS A 9 -0.901 3.422 -7.809 1.00 0.00 C ATOM 138 NZ LYS A 9 -0.380 3.936 -6.512 1.00 0.00 N ATOM 0 H LYS A 9 0.651 0.445 -11.451 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.683 2.581 -12.877 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.517 2.412 -10.793 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.062 3.933 -11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.221 3.724 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.882 2.122 -10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.042 3.310 -8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.168 4.785 -9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.868 3.880 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.067 2.347 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.060 3.722 -5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.530 3.481 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.246 4.965 -6.575 1.00 0.00 H new ATOM 152 N ARG A 10 2.172 1.451 -13.856 1.00 0.00 N ATOM 153 CA ARG A 10 3.207 1.555 -14.878 1.00 0.00 C ATOM 154 C ARG A 10 2.602 1.922 -16.230 1.00 0.00 C ATOM 155 O ARG A 10 3.137 2.761 -16.954 1.00 0.00 O ATOM 156 CB ARG A 10 3.975 0.237 -14.992 1.00 0.00 C ATOM 157 CG ARG A 10 5.330 0.378 -15.667 1.00 0.00 C ATOM 158 CD ARG A 10 5.877 -0.971 -16.104 1.00 0.00 C ATOM 159 NE ARG A 10 7.337 -0.987 -16.131 1.00 0.00 N ATOM 160 CZ ARG A 10 8.060 -2.102 -16.157 1.00 0.00 C ATOM 161 NH1 ARG A 10 7.461 -3.284 -16.160 1.00 0.00 N ATOM 162 NH2 ARG A 10 9.385 -2.034 -16.181 1.00 0.00 N ATOM 0 H ARG A 10 2.173 0.570 -13.343 1.00 0.00 H new ATOM 0 HA ARG A 10 3.897 2.345 -14.582 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.117 -0.178 -13.994 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.372 -0.478 -15.552 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.240 1.033 -16.533 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.032 0.852 -14.981 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.519 -1.745 -15.425 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.493 -1.214 -17.095 1.00 0.00 H new ATOM 0 HE ARG A 10 7.829 -0.093 -16.130 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.443 -3.340 -16.142 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.018 -4.138 -16.180 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.849 -1.126 -16.179 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.939 -2.890 -16.201 1.00 0.00 H new ATOM 176 N PHE A 11 1.483 1.287 -16.563 1.00 0.00 N ATOM 177 CA PHE A 11 0.806 1.545 -17.829 1.00 0.00 C ATOM 178 C PHE A 11 -0.221 2.664 -17.678 1.00 0.00 C ATOM 179 O PHE A 11 -0.519 3.380 -18.634 1.00 0.00 O ATOM 180 CB PHE A 11 0.121 0.273 -18.333 1.00 0.00 C ATOM 181 CG PHE A 11 1.033 -0.918 -18.387 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.392 -0.758 -18.609 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.533 -2.199 -18.214 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.233 -1.853 -18.659 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.370 -3.298 -18.262 1.00 0.00 C ATOM 186 CZ PHE A 11 2.722 -3.125 -18.485 1.00 0.00 C ATOM 0 H PHE A 11 1.026 0.591 -15.974 1.00 0.00 H new ATOM 0 HA PHE A 11 1.555 1.859 -18.556 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.724 0.044 -17.684 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.282 0.457 -19.329 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.798 0.234 -18.744 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.523 -2.340 -18.040 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.290 -1.715 -18.834 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.967 -4.291 -18.125 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.378 -3.982 -18.523 1.00 0.00 H new ATOM 196 N ASP A 12 -0.758 2.807 -16.471 1.00 0.00 N ATOM 197 CA ASP A 12 -1.751 3.838 -16.194 1.00 0.00 C ATOM 198 C ASP A 12 -1.091 5.208 -16.071 1.00 0.00 C ATOM 199 O ASP A 12 -1.041 5.791 -14.987 1.00 0.00 O ATOM 200 CB ASP A 12 -2.514 3.509 -14.910 1.00 0.00 C ATOM 201 CG ASP A 12 -3.912 4.095 -14.901 1.00 0.00 C ATOM 202 OD1 ASP A 12 -4.056 5.279 -14.529 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.862 3.371 -15.265 1.00 0.00 O ATOM 0 H ASP A 12 -0.522 2.222 -15.669 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.453 3.866 -17.028 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.576 2.427 -14.795 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.958 3.889 -14.053 1.00 0.00 H new ATOM 208 N THR A 13 -0.585 5.718 -17.189 1.00 0.00 N ATOM 209 CA THR A 13 0.073 7.018 -17.207 1.00 0.00 C ATOM 210 C THR A 13 -0.886 8.114 -17.657 1.00 0.00 C ATOM 211 O THR A 13 -0.476 9.248 -17.903 1.00 0.00 O ATOM 212 CB THR A 13 1.302 7.014 -18.136 1.00 0.00 C ATOM 213 OG1 THR A 13 1.931 5.728 -18.110 1.00 0.00 O ATOM 214 CG2 THR A 13 2.301 8.082 -17.718 1.00 0.00 C ATOM 0 H THR A 13 -0.618 5.250 -18.095 1.00 0.00 H new ATOM 0 HA THR A 13 0.399 7.220 -16.187 1.00 0.00 H new ATOM 0 HB THR A 13 0.965 7.233 -19.149 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.710 5.733 -18.704 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.160 8.059 -18.389 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.827 9.063 -17.768 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.633 7.891 -16.697 1.00 0.00 H new ATOM 222 N ASN A 14 -2.165 7.769 -17.761 1.00 0.00 N ATOM 223 CA ASN A 14 -3.183 8.725 -18.181 1.00 0.00 C ATOM 224 C ASN A 14 -4.155 9.021 -17.042 1.00 0.00 C ATOM 225 O ASN A 14 -5.192 9.650 -17.245 1.00 0.00 O ATOM 226 CB ASN A 14 -3.948 8.187 -19.392 1.00 0.00 C ATOM 227 CG ASN A 14 -3.885 6.675 -19.491 1.00 0.00 C ATOM 228 OD1 ASN A 14 -4.348 5.994 -18.449 1.00 0.00 O flip ATOM 229 ND2 ASN A 14 -3.426 6.126 -20.492 1.00 0.00 N flip ATOM 0 H ASN A 14 -2.521 6.835 -17.560 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.682 9.653 -18.458 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.990 8.501 -19.329 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.537 8.625 -20.302 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.081 6.689 -21.270 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.390 5.108 -20.544 1.00 0.00 H new ATOM 236 N GLY A 15 -3.809 8.562 -15.843 1.00 0.00 N ATOM 237 CA GLY A 15 -4.661 8.788 -14.689 1.00 0.00 C ATOM 238 C GLY A 15 -6.024 8.142 -14.839 1.00 0.00 C ATOM 239 O GLY A 15 -7.025 8.669 -14.353 1.00 0.00 O ATOM 0 H GLY A 15 -2.955 8.038 -15.650 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.172 8.395 -13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.785 9.860 -14.537 1.00 0.00 H new ATOM 243 N ASP A 16 -6.063 6.998 -15.514 1.00 0.00 N ATOM 244 CA ASP A 16 -7.314 6.279 -15.727 1.00 0.00 C ATOM 245 C ASP A 16 -7.502 5.192 -14.674 1.00 0.00 C ATOM 246 O ASP A 16 -6.566 4.838 -13.958 1.00 0.00 O ATOM 247 CB ASP A 16 -7.339 5.661 -17.126 1.00 0.00 C ATOM 248 CG ASP A 16 -7.634 6.683 -18.206 1.00 0.00 C ATOM 249 OD1 ASP A 16 -7.230 7.853 -18.041 1.00 0.00 O ATOM 250 OD2 ASP A 16 -8.271 6.314 -19.215 1.00 0.00 O ATOM 0 H ASP A 16 -5.243 6.549 -15.923 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.134 6.991 -15.638 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.377 5.190 -17.329 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.093 4.874 -17.159 1.00 0.00 H new ATOM 255 N GLY A 17 -8.721 4.667 -14.584 1.00 0.00 N ATOM 256 CA GLY A 17 -9.010 3.627 -13.614 1.00 0.00 C ATOM 257 C GLY A 17 -8.707 2.240 -14.144 1.00 0.00 C ATOM 258 O GLY A 17 -8.929 1.242 -13.457 1.00 0.00 O ATOM 0 H GLY A 17 -9.512 4.943 -15.165 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.425 3.804 -12.711 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.061 3.682 -13.329 1.00 0.00 H new ATOM 262 N LYS A 18 -8.199 2.174 -15.370 1.00 0.00 N ATOM 263 CA LYS A 18 -7.865 0.899 -15.993 1.00 0.00 C ATOM 264 C LYS A 18 -6.648 1.040 -16.901 1.00 0.00 C ATOM 265 O LYS A 18 -6.204 2.151 -17.192 1.00 0.00 O ATOM 266 CB LYS A 18 -9.057 0.373 -16.797 1.00 0.00 C ATOM 267 CG LYS A 18 -10.372 0.425 -16.039 1.00 0.00 C ATOM 268 CD LYS A 18 -11.547 0.072 -16.936 1.00 0.00 C ATOM 269 CE LYS A 18 -12.249 1.318 -17.451 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.038 1.042 -18.684 1.00 0.00 N ATOM 0 H LYS A 18 -8.009 2.990 -15.952 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.626 0.188 -15.202 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.152 0.956 -17.713 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.859 -0.657 -17.093 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.335 -0.266 -15.197 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.516 1.423 -15.626 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.197 -0.524 -17.779 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.256 -0.544 -16.383 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.910 1.708 -16.677 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.510 2.091 -17.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.501 1.917 -19.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.404 0.694 -19.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.761 0.322 -18.480 1.00 0.00 H new ATOM 284 N ILE A 19 -6.114 -0.092 -17.347 1.00 0.00 N ATOM 285 CA ILE A 19 -4.950 -0.094 -18.224 1.00 0.00 C ATOM 286 C ILE A 19 -5.156 -1.031 -19.409 1.00 0.00 C ATOM 287 O ILE A 19 -5.672 -2.138 -19.256 1.00 0.00 O ATOM 288 CB ILE A 19 -3.675 -0.513 -17.468 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.867 -1.888 -16.825 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.319 0.526 -16.415 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.640 -2.390 -16.097 1.00 0.00 C ATOM 0 H ILE A 19 -6.469 -1.020 -17.115 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.828 0.926 -18.587 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.852 -0.577 -18.179 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.701 -1.840 -16.125 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.141 -2.607 -17.598 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.416 0.216 -15.889 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.146 1.488 -16.897 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.140 0.619 -15.704 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.848 -3.369 -15.666 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.809 -2.471 -16.798 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.378 -1.692 -15.302 1.00 0.00 H new ATOM 303 N SER A 20 -4.747 -0.581 -20.591 1.00 0.00 N ATOM 304 CA SER A 20 -4.888 -1.379 -21.804 1.00 0.00 C ATOM 305 C SER A 20 -4.225 -2.742 -21.637 1.00 0.00 C ATOM 306 O SER A 20 -3.031 -2.834 -21.348 1.00 0.00 O ATOM 307 CB SER A 20 -4.276 -0.643 -22.997 1.00 0.00 C ATOM 308 OG SER A 20 -5.213 -0.516 -24.053 1.00 0.00 O ATOM 0 H SER A 20 -4.315 0.332 -20.735 1.00 0.00 H new ATOM 0 HA SER A 20 -5.951 -1.532 -21.988 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.939 0.345 -22.685 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.397 -1.183 -23.349 1.00 0.00 H new ATOM 0 HG SER A 20 -6.107 -0.752 -23.727 1.00 0.00 H new ATOM 314 N LEU A 21 -5.007 -3.800 -21.821 1.00 0.00 N ATOM 315 CA LEU A 21 -4.497 -5.161 -21.691 1.00 0.00 C ATOM 316 C LEU A 21 -3.888 -5.641 -23.005 1.00 0.00 C ATOM 317 O LEU A 21 -3.143 -6.621 -23.033 1.00 0.00 O ATOM 318 CB LEU A 21 -5.618 -6.108 -21.260 1.00 0.00 C ATOM 319 CG LEU A 21 -6.991 -5.851 -21.883 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.918 -5.960 -23.398 1.00 0.00 C ATOM 321 CD2 LEU A 21 -8.020 -6.824 -21.326 1.00 0.00 C ATOM 0 H LEU A 21 -5.997 -3.742 -22.061 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.718 -5.160 -20.929 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.317 -7.128 -21.500 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.717 -6.052 -20.176 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.302 -4.838 -21.626 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.904 -5.774 -23.824 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.212 -5.224 -23.782 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.586 -6.960 -23.675 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.991 -6.626 -21.780 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.715 -7.846 -21.552 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.093 -6.698 -20.246 1.00 0.00 H new ATOM 333 N SER A 22 -4.209 -4.944 -24.090 1.00 0.00 N ATOM 334 CA SER A 22 -3.694 -5.300 -25.407 1.00 0.00 C ATOM 335 C SER A 22 -2.290 -4.741 -25.611 1.00 0.00 C ATOM 336 O SER A 22 -1.405 -5.428 -26.120 1.00 0.00 O ATOM 337 CB SER A 22 -4.627 -4.778 -26.501 1.00 0.00 C ATOM 338 OG SER A 22 -5.060 -3.459 -26.215 1.00 0.00 O ATOM 0 H SER A 22 -4.823 -4.130 -24.083 1.00 0.00 H new ATOM 0 HA SER A 22 -3.646 -6.387 -25.469 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.112 -4.795 -27.461 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.491 -5.436 -26.591 1.00 0.00 H new ATOM 0 HG SER A 22 -5.654 -3.147 -26.930 1.00 0.00 H new ATOM 344 N GLU A 23 -2.094 -3.489 -25.211 1.00 0.00 N ATOM 345 CA GLU A 23 -0.797 -2.836 -25.350 1.00 0.00 C ATOM 346 C GLU A 23 0.224 -3.446 -24.395 1.00 0.00 C ATOM 347 O GLU A 23 1.430 -3.393 -24.641 1.00 0.00 O ATOM 348 CB GLU A 23 -0.926 -1.335 -25.086 1.00 0.00 C ATOM 349 CG GLU A 23 -1.957 -0.648 -25.967 1.00 0.00 C ATOM 350 CD GLU A 23 -2.006 0.852 -25.746 1.00 0.00 C ATOM 351 OE1 GLU A 23 -2.783 1.299 -24.877 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.266 1.578 -26.444 1.00 0.00 O ATOM 0 H GLU A 23 -2.816 -2.906 -24.788 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.449 -2.989 -26.372 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.193 -1.180 -24.041 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.044 -0.863 -25.241 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.728 -0.850 -27.013 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.941 -1.073 -25.768 1.00 0.00 H new ATOM 359 N LEU A 24 -0.266 -4.024 -23.304 1.00 0.00 N ATOM 360 CA LEU A 24 0.603 -4.644 -22.310 1.00 0.00 C ATOM 361 C LEU A 24 1.386 -5.803 -22.919 1.00 0.00 C ATOM 362 O LEU A 24 2.616 -5.775 -22.974 1.00 0.00 O ATOM 363 CB LEU A 24 -0.222 -5.140 -21.121 1.00 0.00 C ATOM 364 CG LEU A 24 0.450 -6.182 -20.226 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.156 -7.587 -20.729 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.951 -5.941 -20.161 1.00 0.00 C ATOM 0 H LEU A 24 -1.261 -4.076 -23.085 1.00 0.00 H new ATOM 0 HA LEU A 24 1.312 -3.892 -21.964 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.490 -4.281 -20.506 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.152 -5.562 -21.501 1.00 0.00 H new ATOM 0 HG LEU A 24 0.042 -6.085 -19.220 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.642 -8.315 -20.080 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.921 -7.758 -20.723 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.535 -7.697 -21.745 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.413 -6.692 -19.520 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.374 -6.010 -21.163 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.143 -4.948 -19.754 1.00 0.00 H new ATOM 378 N THR A 25 0.665 -6.822 -23.377 1.00 0.00 N ATOM 379 CA THR A 25 1.292 -7.990 -23.983 1.00 0.00 C ATOM 380 C THR A 25 2.225 -7.586 -25.119 1.00 0.00 C ATOM 381 O THR A 25 3.269 -8.205 -25.327 1.00 0.00 O ATOM 382 CB THR A 25 0.239 -8.975 -24.524 1.00 0.00 C ATOM 383 OG1 THR A 25 0.866 -9.947 -25.369 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.841 -8.239 -25.302 1.00 0.00 C ATOM 0 H THR A 25 -0.354 -6.862 -23.340 1.00 0.00 H new ATOM 0 HA THR A 25 1.870 -8.481 -23.200 1.00 0.00 H new ATOM 0 HB THR A 25 -0.226 -9.478 -23.676 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.632 -10.341 -24.902 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.573 -8.955 -25.674 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.336 -7.521 -24.648 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.389 -7.712 -26.142 1.00 0.00 H new ATOM 392 N ASP A 26 1.843 -6.545 -25.850 1.00 0.00 N ATOM 393 CA ASP A 26 2.647 -6.058 -26.965 1.00 0.00 C ATOM 394 C ASP A 26 3.807 -5.203 -26.465 1.00 0.00 C ATOM 395 O ASP A 26 4.792 -4.999 -27.175 1.00 0.00 O ATOM 396 CB ASP A 26 1.780 -5.248 -27.931 1.00 0.00 C ATOM 397 CG ASP A 26 2.312 -5.277 -29.350 1.00 0.00 C ATOM 398 OD1 ASP A 26 2.415 -6.382 -29.923 1.00 0.00 O ATOM 399 OD2 ASP A 26 2.626 -4.195 -29.888 1.00 0.00 O ATOM 0 H ASP A 26 0.982 -6.022 -25.691 1.00 0.00 H new ATOM 0 HA ASP A 26 3.055 -6.921 -27.491 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.763 -5.641 -27.919 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.726 -4.215 -27.587 1.00 0.00 H new ATOM 404 N ALA A 27 3.684 -4.705 -25.239 1.00 0.00 N ATOM 405 CA ALA A 27 4.723 -3.874 -24.644 1.00 0.00 C ATOM 406 C ALA A 27 5.764 -4.726 -23.927 1.00 0.00 C ATOM 407 O ALA A 27 6.952 -4.399 -23.922 1.00 0.00 O ATOM 408 CB ALA A 27 4.107 -2.868 -23.682 1.00 0.00 C ATOM 0 H ALA A 27 2.875 -4.863 -24.638 1.00 0.00 H new ATOM 0 HA ALA A 27 5.225 -3.333 -25.446 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.894 -2.254 -23.245 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.407 -2.230 -24.222 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.578 -3.399 -22.890 1.00 0.00 H new ATOM 414 N LEU A 28 5.313 -5.818 -23.321 1.00 0.00 N ATOM 415 CA LEU A 28 6.206 -6.718 -22.599 1.00 0.00 C ATOM 416 C LEU A 28 7.384 -7.133 -23.475 1.00 0.00 C ATOM 417 O LEU A 28 8.451 -7.485 -22.971 1.00 0.00 O ATOM 418 CB LEU A 28 5.443 -7.957 -22.129 1.00 0.00 C ATOM 419 CG LEU A 28 4.873 -7.897 -20.712 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.979 -9.098 -20.445 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.996 -7.827 -19.688 1.00 0.00 C ATOM 0 H LEU A 28 4.333 -6.102 -23.315 1.00 0.00 H new ATOM 0 HA LEU A 28 6.593 -6.187 -21.729 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.621 -8.138 -22.822 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.110 -8.816 -22.195 1.00 0.00 H new ATOM 0 HG LEU A 28 4.269 -6.994 -20.622 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.582 -9.038 -19.432 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.154 -9.103 -21.158 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.559 -10.015 -20.554 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.572 -7.785 -18.685 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.626 -8.712 -19.778 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.596 -6.934 -19.866 1.00 0.00 H new ATOM 433 N ARG A 29 7.184 -7.088 -24.788 1.00 0.00 N ATOM 434 CA ARG A 29 8.229 -7.458 -25.734 1.00 0.00 C ATOM 435 C ARG A 29 9.429 -6.523 -25.613 1.00 0.00 C ATOM 436 O ARG A 29 10.575 -6.938 -25.787 1.00 0.00 O ATOM 437 CB ARG A 29 7.687 -7.427 -27.164 1.00 0.00 C ATOM 438 CG ARG A 29 7.528 -6.024 -27.725 1.00 0.00 C ATOM 439 CD ARG A 29 6.754 -6.031 -29.034 1.00 0.00 C ATOM 440 NE ARG A 29 7.637 -6.137 -30.192 1.00 0.00 N ATOM 441 CZ ARG A 29 7.211 -6.080 -31.449 1.00 0.00 C ATOM 442 NH1 ARG A 29 5.921 -5.918 -31.708 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.077 -6.184 -32.449 1.00 0.00 N ATOM 0 H ARG A 29 6.307 -6.799 -25.221 1.00 0.00 H new ATOM 0 HA ARG A 29 8.555 -8.471 -25.498 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.358 -7.994 -27.810 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.721 -7.930 -27.188 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.011 -5.397 -26.999 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.511 -5.581 -27.885 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.052 -6.865 -29.036 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.164 -5.118 -29.111 1.00 0.00 H new ATOM 0 HE ARG A 29 8.636 -6.262 -30.027 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.253 -5.837 -30.941 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.596 -5.875 -32.674 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.070 -6.308 -32.253 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.749 -6.140 -33.414 1.00 0.00 H new ATOM 457 N THR A 30 9.157 -5.256 -25.313 1.00 0.00 N ATOM 458 CA THR A 30 10.212 -4.261 -25.170 1.00 0.00 C ATOM 459 C THR A 30 11.050 -4.523 -23.924 1.00 0.00 C ATOM 460 O THR A 30 12.223 -4.153 -23.863 1.00 0.00 O ATOM 461 CB THR A 30 9.633 -2.836 -25.095 1.00 0.00 C ATOM 462 OG1 THR A 30 10.597 -1.890 -25.573 1.00 0.00 O ATOM 463 CG2 THR A 30 9.237 -2.487 -23.668 1.00 0.00 C ATOM 0 H THR A 30 8.214 -4.895 -25.164 1.00 0.00 H new ATOM 0 HA THR A 30 10.845 -4.342 -26.054 1.00 0.00 H new ATOM 0 HB THR A 30 8.743 -2.796 -25.722 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.221 -0.986 -25.524 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.831 -1.476 -23.640 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.482 -3.191 -23.317 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.114 -2.544 -23.023 1.00 0.00 H new ATOM 471 N LEU A 31 10.442 -5.165 -22.932 1.00 0.00 N ATOM 472 CA LEU A 31 11.134 -5.478 -21.686 1.00 0.00 C ATOM 473 C LEU A 31 11.924 -6.777 -21.814 1.00 0.00 C ATOM 474 O LEU A 31 12.552 -7.230 -20.858 1.00 0.00 O ATOM 475 CB LEU A 31 10.130 -5.590 -20.537 1.00 0.00 C ATOM 476 CG LEU A 31 9.959 -4.341 -19.672 1.00 0.00 C ATOM 477 CD1 LEU A 31 11.286 -3.938 -19.048 1.00 0.00 C ATOM 478 CD2 LEU A 31 9.386 -3.196 -20.495 1.00 0.00 C ATOM 0 H LEU A 31 9.472 -5.479 -22.966 1.00 0.00 H new ATOM 0 HA LEU A 31 11.832 -4.669 -21.473 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.158 -5.854 -20.954 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.435 -6.415 -19.893 1.00 0.00 H new ATOM 0 HG LEU A 31 9.258 -4.572 -18.870 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.145 -3.047 -18.436 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.657 -4.752 -18.425 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.009 -3.726 -19.836 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.271 -2.315 -19.863 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.062 -2.966 -21.318 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.414 -3.486 -20.894 1.00 0.00 H new ATOM 490 N GLY A 32 11.890 -7.370 -23.003 1.00 0.00 N ATOM 491 CA GLY A 32 12.609 -8.609 -23.235 1.00 0.00 C ATOM 492 C GLY A 32 11.790 -9.832 -22.871 1.00 0.00 C ATOM 493 O GLY A 32 12.308 -10.948 -22.839 1.00 0.00 O ATOM 0 H GLY A 32 11.377 -7.015 -23.810 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.897 -8.667 -24.285 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.530 -8.606 -22.652 1.00 0.00 H new ATOM 497 N SER A 33 10.507 -9.621 -22.593 1.00 0.00 N ATOM 498 CA SER A 33 9.616 -10.714 -22.224 1.00 0.00 C ATOM 499 C SER A 33 9.696 -11.848 -23.241 1.00 0.00 C ATOM 500 O SER A 33 9.770 -11.612 -24.448 1.00 0.00 O ATOM 501 CB SER A 33 8.175 -10.211 -22.116 1.00 0.00 C ATOM 502 OG SER A 33 7.614 -9.991 -23.399 1.00 0.00 O ATOM 0 H SER A 33 10.062 -8.703 -22.616 1.00 0.00 H new ATOM 0 HA SER A 33 9.934 -11.097 -21.254 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.572 -10.938 -21.572 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.152 -9.285 -21.542 1.00 0.00 H new ATOM 0 HG SER A 33 8.333 -9.895 -24.058 1.00 0.00 H new ATOM 508 N THR A 34 9.681 -13.082 -22.746 1.00 0.00 N ATOM 509 CA THR A 34 9.753 -14.253 -23.609 1.00 0.00 C ATOM 510 C THR A 34 8.425 -15.002 -23.632 1.00 0.00 C ATOM 511 O THR A 34 8.340 -16.118 -24.144 1.00 0.00 O ATOM 512 CB THR A 34 10.866 -15.217 -23.157 1.00 0.00 C ATOM 513 OG1 THR A 34 11.038 -16.257 -24.127 1.00 0.00 O ATOM 514 CG2 THR A 34 10.535 -15.829 -21.804 1.00 0.00 C ATOM 0 H THR A 34 9.620 -13.295 -21.750 1.00 0.00 H new ATOM 0 HA THR A 34 9.981 -13.892 -24.612 1.00 0.00 H new ATOM 0 HB THR A 34 11.792 -14.650 -23.065 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.160 -16.562 -24.438 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.335 -16.506 -21.505 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.434 -15.037 -21.062 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.599 -16.383 -21.874 1.00 0.00 H new ATOM 522 N SER A 35 7.391 -14.381 -23.075 1.00 0.00 N ATOM 523 CA SER A 35 6.067 -14.991 -23.028 1.00 0.00 C ATOM 524 C SER A 35 4.998 -14.005 -23.489 1.00 0.00 C ATOM 525 O SER A 35 3.810 -14.196 -23.234 1.00 0.00 O ATOM 526 CB SER A 35 5.754 -15.474 -21.611 1.00 0.00 C ATOM 527 OG SER A 35 6.566 -16.581 -21.259 1.00 0.00 O ATOM 0 H SER A 35 7.444 -13.455 -22.650 1.00 0.00 H new ATOM 0 HA SER A 35 6.064 -15.846 -23.704 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.914 -14.661 -20.903 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.703 -15.754 -21.543 1.00 0.00 H new ATOM 0 HG SER A 35 6.348 -16.870 -20.348 1.00 0.00 H new ATOM 533 N ALA A 36 5.431 -12.949 -24.171 1.00 0.00 N ATOM 534 CA ALA A 36 4.512 -11.933 -24.670 1.00 0.00 C ATOM 535 C ALA A 36 3.381 -12.564 -25.475 1.00 0.00 C ATOM 536 O ALA A 36 2.290 -12.002 -25.575 1.00 0.00 O ATOM 537 CB ALA A 36 5.261 -10.914 -25.516 1.00 0.00 C ATOM 0 H ALA A 36 6.412 -12.775 -24.390 1.00 0.00 H new ATOM 0 HA ALA A 36 4.072 -11.423 -23.813 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.563 -10.161 -25.882 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.029 -10.433 -24.911 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.729 -11.417 -26.362 1.00 0.00 H new ATOM 543 N ASP A 37 3.649 -13.732 -26.047 1.00 0.00 N ATOM 544 CA ASP A 37 2.653 -14.439 -26.844 1.00 0.00 C ATOM 545 C ASP A 37 1.705 -15.232 -25.949 1.00 0.00 C ATOM 546 O ASP A 37 0.531 -15.408 -26.275 1.00 0.00 O ATOM 547 CB ASP A 37 3.337 -15.376 -27.840 1.00 0.00 C ATOM 548 CG ASP A 37 4.614 -14.787 -28.406 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.572 -13.638 -28.896 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.656 -15.473 -28.359 1.00 0.00 O ATOM 0 H ASP A 37 4.547 -14.210 -25.974 1.00 0.00 H new ATOM 0 HA ASP A 37 2.072 -13.699 -27.394 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.564 -16.322 -27.348 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.650 -15.598 -28.656 1.00 0.00 H new ATOM 555 N GLU A 38 2.223 -15.709 -24.821 1.00 0.00 N ATOM 556 CA GLU A 38 1.423 -16.484 -23.881 1.00 0.00 C ATOM 557 C GLU A 38 0.599 -15.567 -22.982 1.00 0.00 C ATOM 558 O GLU A 38 -0.499 -15.922 -22.554 1.00 0.00 O ATOM 559 CB GLU A 38 2.323 -17.380 -23.028 1.00 0.00 C ATOM 560 CG GLU A 38 1.556 -18.335 -22.129 1.00 0.00 C ATOM 561 CD GLU A 38 1.104 -19.585 -22.858 1.00 0.00 C ATOM 562 OE1 GLU A 38 1.932 -20.186 -23.574 1.00 0.00 O ATOM 563 OE2 GLU A 38 -0.078 -19.962 -22.713 1.00 0.00 O ATOM 0 H GLU A 38 3.193 -15.572 -24.537 1.00 0.00 H new ATOM 0 HA GLU A 38 0.740 -17.110 -24.455 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.974 -17.957 -23.685 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.967 -16.752 -22.412 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.185 -18.618 -21.285 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.685 -17.823 -21.720 1.00 0.00 H new ATOM 570 N VAL A 39 1.138 -14.386 -22.699 1.00 0.00 N ATOM 571 CA VAL A 39 0.454 -13.417 -21.851 1.00 0.00 C ATOM 572 C VAL A 39 -0.749 -12.813 -22.566 1.00 0.00 C ATOM 573 O VAL A 39 -1.754 -12.481 -21.938 1.00 0.00 O ATOM 574 CB VAL A 39 1.402 -12.283 -21.417 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.819 -11.447 -22.618 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.743 -11.414 -20.356 1.00 0.00 C ATOM 0 H VAL A 39 2.047 -14.077 -23.045 1.00 0.00 H new ATOM 0 HA VAL A 39 0.114 -13.955 -20.966 1.00 0.00 H new ATOM 0 HB VAL A 39 2.298 -12.728 -20.985 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.488 -10.651 -22.292 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.333 -12.080 -23.341 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.935 -11.010 -23.082 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.427 -10.618 -20.061 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.170 -10.977 -20.760 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.499 -12.024 -19.486 1.00 0.00 H new ATOM 586 N GLN A 40 -0.639 -12.675 -23.884 1.00 0.00 N ATOM 587 CA GLN A 40 -1.719 -12.111 -24.685 1.00 0.00 C ATOM 588 C GLN A 40 -2.997 -12.929 -24.529 1.00 0.00 C ATOM 589 O GLN A 40 -4.096 -12.377 -24.470 1.00 0.00 O ATOM 590 CB GLN A 40 -1.313 -12.053 -26.158 1.00 0.00 C ATOM 591 CG GLN A 40 -2.487 -12.156 -27.118 1.00 0.00 C ATOM 592 CD GLN A 40 -2.056 -12.153 -28.571 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.006 -12.906 -28.878 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.659 -11.482 -29.409 1.00 0.00 N flip ATOM 0 H GLN A 40 0.186 -12.946 -24.419 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.912 -11.099 -24.329 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.784 -11.118 -26.344 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.613 -12.862 -26.365 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.042 -13.071 -26.910 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.168 -11.323 -26.943 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.461 -10.917 -29.129 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.356 -11.491 -30.383 1.00 0.00 H new ATOM 603 N ARG A 41 -2.845 -14.248 -24.464 1.00 0.00 N ATOM 604 CA ARG A 41 -3.987 -15.142 -24.317 1.00 0.00 C ATOM 605 C ARG A 41 -4.386 -15.278 -22.851 1.00 0.00 C ATOM 606 O ARG A 41 -5.512 -15.661 -22.537 1.00 0.00 O ATOM 607 CB ARG A 41 -3.661 -16.519 -24.898 1.00 0.00 C ATOM 608 CG ARG A 41 -2.398 -17.139 -24.325 1.00 0.00 C ATOM 609 CD ARG A 41 -2.093 -18.482 -24.971 1.00 0.00 C ATOM 610 NE ARG A 41 -2.906 -19.557 -24.408 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.902 -20.801 -24.873 1.00 0.00 C ATOM 612 NH1 ARG A 41 -2.132 -21.125 -25.903 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.669 -21.724 -24.307 1.00 0.00 N ATOM 0 H ARG A 41 -1.942 -14.721 -24.511 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.826 -14.713 -24.865 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.500 -17.190 -24.714 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.554 -16.432 -25.979 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.558 -16.462 -24.477 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.511 -17.269 -23.249 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.271 -18.417 -26.044 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.037 -18.717 -24.837 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.510 -19.341 -23.615 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.541 -20.418 -26.340 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.131 -22.081 -26.258 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.262 -21.478 -23.514 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.666 -22.679 -24.665 1.00 0.00 H new ATOM 627 N MET A 42 -3.453 -14.963 -21.957 1.00 0.00 N ATOM 628 CA MET A 42 -3.708 -15.050 -20.524 1.00 0.00 C ATOM 629 C MET A 42 -4.492 -13.835 -20.037 1.00 0.00 C ATOM 630 O MET A 42 -5.472 -13.971 -19.306 1.00 0.00 O ATOM 631 CB MET A 42 -2.390 -15.162 -19.756 1.00 0.00 C ATOM 632 CG MET A 42 -1.655 -16.471 -19.998 1.00 0.00 C ATOM 633 SD MET A 42 -2.099 -17.748 -18.806 1.00 0.00 S ATOM 634 CE MET A 42 -1.139 -19.131 -19.418 1.00 0.00 C ATOM 0 H MET A 42 -2.515 -14.646 -22.200 1.00 0.00 H new ATOM 0 HA MET A 42 -4.305 -15.943 -20.340 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.742 -14.333 -20.040 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.590 -15.059 -18.690 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.876 -16.826 -21.004 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.581 -16.294 -19.951 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.686 -20.058 -19.246 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.962 -19.007 -20.486 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.184 -19.171 -18.894 1.00 0.00 H new ATOM 644 N MET A 43 -4.053 -12.650 -20.447 1.00 0.00 N ATOM 645 CA MET A 43 -4.715 -11.412 -20.052 1.00 0.00 C ATOM 646 C MET A 43 -6.195 -11.445 -20.420 1.00 0.00 C ATOM 647 O MET A 43 -7.012 -10.761 -19.806 1.00 0.00 O ATOM 648 CB MET A 43 -4.038 -10.212 -20.718 1.00 0.00 C ATOM 649 CG MET A 43 -3.834 -10.382 -22.214 1.00 0.00 C ATOM 650 SD MET A 43 -4.885 -9.287 -23.188 1.00 0.00 S ATOM 651 CE MET A 43 -4.088 -9.388 -24.788 1.00 0.00 C ATOM 0 H MET A 43 -3.242 -12.521 -21.052 1.00 0.00 H new ATOM 0 HA MET A 43 -4.631 -11.313 -18.970 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.640 -9.321 -20.541 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.071 -10.042 -20.245 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.790 -10.189 -22.458 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.040 -11.416 -22.489 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.200 -8.438 -25.311 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.028 -9.606 -24.654 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.550 -10.182 -25.375 1.00 0.00 H new ATOM 661 N ALA A 44 -6.531 -12.245 -21.427 1.00 0.00 N ATOM 662 CA ALA A 44 -7.913 -12.369 -21.875 1.00 0.00 C ATOM 663 C ALA A 44 -8.776 -13.042 -20.814 1.00 0.00 C ATOM 664 O ALA A 44 -9.999 -12.901 -20.815 1.00 0.00 O ATOM 665 CB ALA A 44 -7.976 -13.146 -23.182 1.00 0.00 C ATOM 0 H ALA A 44 -5.866 -12.816 -21.948 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.306 -11.366 -22.042 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.014 -13.231 -23.505 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.400 -12.622 -23.945 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.559 -14.142 -23.033 1.00 0.00 H new ATOM 671 N GLU A 45 -8.132 -13.775 -19.911 1.00 0.00 N ATOM 672 CA GLU A 45 -8.843 -14.471 -18.846 1.00 0.00 C ATOM 673 C GLU A 45 -9.372 -13.485 -17.808 1.00 0.00 C ATOM 674 O GLU A 45 -10.536 -13.547 -17.414 1.00 0.00 O ATOM 675 CB GLU A 45 -7.925 -15.493 -18.172 1.00 0.00 C ATOM 676 CG GLU A 45 -7.353 -16.524 -19.131 1.00 0.00 C ATOM 677 CD GLU A 45 -6.491 -17.557 -18.432 1.00 0.00 C ATOM 678 OE1 GLU A 45 -7.019 -18.280 -17.562 1.00 0.00 O ATOM 679 OE2 GLU A 45 -5.288 -17.641 -18.756 1.00 0.00 O ATOM 0 H GLU A 45 -7.120 -13.902 -19.896 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.690 -14.992 -19.292 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.104 -14.966 -17.686 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.481 -16.007 -17.389 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.171 -17.028 -19.647 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.760 -16.017 -19.892 1.00 0.00 H new ATOM 686 N ILE A 46 -8.507 -12.575 -17.371 1.00 0.00 N ATOM 687 CA ILE A 46 -8.886 -11.575 -16.381 1.00 0.00 C ATOM 688 C ILE A 46 -9.902 -10.593 -16.953 1.00 0.00 C ATOM 689 O ILE A 46 -10.742 -10.061 -16.228 1.00 0.00 O ATOM 690 CB ILE A 46 -7.661 -10.792 -15.874 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.912 -10.159 -17.049 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.738 -11.706 -15.082 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.835 -9.185 -16.624 1.00 0.00 C ATOM 0 H ILE A 46 -7.539 -12.510 -17.687 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.334 -12.112 -15.545 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.005 -9.996 -15.214 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.460 -10.949 -17.649 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.627 -9.642 -17.689 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.877 -11.138 -14.731 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.277 -12.115 -14.227 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.398 -12.522 -15.720 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.346 -8.775 -17.508 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.283 -8.375 -16.049 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.099 -9.702 -16.009 1.00 0.00 H new ATOM 705 N ASP A 47 -9.821 -10.359 -18.259 1.00 0.00 N ATOM 706 CA ASP A 47 -10.735 -9.441 -18.929 1.00 0.00 C ATOM 707 C ASP A 47 -12.097 -10.093 -19.147 1.00 0.00 C ATOM 708 O ASP A 47 -12.235 -11.016 -19.951 1.00 0.00 O ATOM 709 CB ASP A 47 -10.149 -8.994 -20.270 1.00 0.00 C ATOM 710 CG ASP A 47 -10.888 -7.809 -20.856 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.614 -7.085 -20.011 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.808 -7.544 -22.056 1.00 0.00 O ATOM 0 H ASP A 47 -9.132 -10.792 -18.874 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.868 -8.568 -18.290 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.099 -8.734 -20.136 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.184 -9.825 -20.974 1.00 0.00 H new ATOM 717 N THR A 48 -13.102 -9.605 -18.427 1.00 0.00 N ATOM 718 CA THR A 48 -14.454 -10.139 -18.541 1.00 0.00 C ATOM 719 C THR A 48 -15.291 -9.315 -19.513 1.00 0.00 C ATOM 720 O THR A 48 -16.334 -9.766 -19.986 1.00 0.00 O ATOM 721 CB THR A 48 -15.161 -10.174 -17.174 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.356 -10.958 -17.260 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.504 -8.768 -16.706 1.00 0.00 C ATOM 0 H THR A 48 -13.005 -8.841 -17.758 1.00 0.00 H new ATOM 0 HA THR A 48 -14.361 -11.157 -18.919 1.00 0.00 H new ATOM 0 HB THR A 48 -14.482 -10.625 -16.450 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.678 -10.964 -18.186 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.003 -8.818 -15.738 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.589 -8.182 -16.613 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.166 -8.295 -17.431 1.00 0.00 H new ATOM 731 N ASP A 49 -14.827 -8.106 -19.807 1.00 0.00 N ATOM 732 CA ASP A 49 -15.532 -7.218 -20.725 1.00 0.00 C ATOM 733 C ASP A 49 -14.895 -7.251 -22.110 1.00 0.00 C ATOM 734 O ASP A 49 -15.322 -6.539 -23.018 1.00 0.00 O ATOM 735 CB ASP A 49 -15.534 -5.788 -20.184 1.00 0.00 C ATOM 736 CG ASP A 49 -14.964 -5.697 -18.783 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.739 -5.850 -17.816 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.742 -5.473 -18.652 1.00 0.00 O ATOM 0 H ASP A 49 -13.965 -7.718 -19.423 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.561 -7.567 -20.811 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.954 -5.150 -20.851 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.554 -5.405 -20.183 1.00 0.00 H new ATOM 743 N GLY A 50 -13.869 -8.083 -22.265 1.00 0.00 N ATOM 744 CA GLY A 50 -13.189 -8.192 -23.542 1.00 0.00 C ATOM 745 C GLY A 50 -12.857 -6.839 -24.140 1.00 0.00 C ATOM 746 O GLY A 50 -12.871 -6.671 -25.359 1.00 0.00 O ATOM 0 H GLY A 50 -13.497 -8.683 -21.529 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.270 -8.764 -23.413 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.816 -8.749 -24.238 1.00 0.00 H new ATOM 750 N ASP A 51 -12.559 -5.871 -23.280 1.00 0.00 N ATOM 751 CA ASP A 51 -12.223 -4.525 -23.730 1.00 0.00 C ATOM 752 C ASP A 51 -10.726 -4.266 -23.596 1.00 0.00 C ATOM 753 O ASP A 51 -10.004 -5.044 -22.974 1.00 0.00 O ATOM 754 CB ASP A 51 -13.007 -3.486 -22.928 1.00 0.00 C ATOM 755 CG ASP A 51 -12.453 -3.295 -21.529 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.184 -4.311 -20.854 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.288 -2.130 -21.111 1.00 0.00 O ATOM 0 H ASP A 51 -12.543 -5.993 -22.267 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.495 -4.441 -24.782 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.987 -2.533 -23.457 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.051 -3.793 -22.863 1.00 0.00 H new ATOM 762 N GLY A 52 -10.265 -3.167 -24.186 1.00 0.00 N ATOM 763 CA GLY A 52 -8.856 -2.825 -24.122 1.00 0.00 C ATOM 764 C GLY A 52 -8.494 -2.097 -22.843 1.00 0.00 C ATOM 765 O GLY A 52 -7.838 -1.055 -22.878 1.00 0.00 O ATOM 0 H GLY A 52 -10.843 -2.507 -24.707 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.261 -3.735 -24.200 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.598 -2.201 -24.977 1.00 0.00 H new ATOM 769 N PHE A 53 -8.923 -2.644 -21.711 1.00 0.00 N ATOM 770 CA PHE A 53 -8.642 -2.038 -20.414 1.00 0.00 C ATOM 771 C PHE A 53 -8.940 -3.015 -19.281 1.00 0.00 C ATOM 772 O PHE A 53 -9.837 -3.851 -19.389 1.00 0.00 O ATOM 773 CB PHE A 53 -9.468 -0.762 -20.234 1.00 0.00 C ATOM 774 CG PHE A 53 -8.817 0.461 -20.813 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.637 0.952 -20.277 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.384 1.119 -21.892 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.036 2.078 -20.808 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.787 2.246 -22.427 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.611 2.725 -21.884 1.00 0.00 C ATOM 0 H PHE A 53 -9.467 -3.506 -21.665 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.582 -1.784 -20.381 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.443 -0.901 -20.702 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.645 -0.600 -19.171 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.182 0.450 -19.436 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.303 0.748 -22.321 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.117 2.452 -20.381 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.240 2.751 -23.268 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.142 3.604 -22.300 1.00 0.00 H new ATOM 789 N ILE A 54 -8.181 -2.903 -18.196 1.00 0.00 N ATOM 790 CA ILE A 54 -8.364 -3.775 -17.043 1.00 0.00 C ATOM 791 C ILE A 54 -8.249 -2.994 -15.739 1.00 0.00 C ATOM 792 O ILE A 54 -7.358 -2.158 -15.580 1.00 0.00 O ATOM 793 CB ILE A 54 -7.335 -4.921 -17.035 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.921 -4.366 -17.225 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.662 -5.934 -18.121 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.832 -5.342 -16.836 1.00 0.00 C ATOM 0 H ILE A 54 -7.434 -2.217 -18.092 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.366 -4.198 -17.123 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.381 -5.425 -16.070 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.788 -4.082 -18.269 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.813 -3.458 -16.632 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.926 -6.738 -18.103 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.655 -6.348 -17.946 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.640 -5.444 -19.094 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.857 -4.882 -16.996 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.940 -5.607 -15.784 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.914 -6.241 -17.447 1.00 0.00 H new ATOM 808 N ASP A 55 -9.153 -3.272 -14.807 1.00 0.00 N ATOM 809 CA ASP A 55 -9.152 -2.598 -13.514 1.00 0.00 C ATOM 810 C ASP A 55 -8.257 -3.331 -12.520 1.00 0.00 C ATOM 811 O ASP A 55 -7.726 -4.401 -12.818 1.00 0.00 O ATOM 812 CB ASP A 55 -10.575 -2.502 -12.963 1.00 0.00 C ATOM 813 CG ASP A 55 -11.610 -2.331 -14.058 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.879 -3.314 -14.779 1.00 0.00 O ATOM 815 OD2 ASP A 55 -12.150 -1.214 -14.193 1.00 0.00 O ATOM 0 H ASP A 55 -9.897 -3.960 -14.923 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.758 -1.592 -13.657 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.801 -3.402 -12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.638 -1.661 -12.273 1.00 0.00 H new ATOM 820 N PHE A 56 -8.093 -2.747 -11.337 1.00 0.00 N ATOM 821 CA PHE A 56 -7.260 -3.343 -10.299 1.00 0.00 C ATOM 822 C PHE A 56 -7.632 -4.807 -10.077 1.00 0.00 C ATOM 823 O PHE A 56 -6.763 -5.659 -9.897 1.00 0.00 O ATOM 824 CB PHE A 56 -7.404 -2.565 -8.990 1.00 0.00 C ATOM 825 CG PHE A 56 -6.180 -2.622 -8.121 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.941 -2.255 -8.621 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.268 -3.042 -6.804 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.813 -2.305 -7.824 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.144 -3.095 -6.002 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.915 -2.727 -6.513 1.00 0.00 C ATOM 0 H PHE A 56 -8.526 -1.862 -11.074 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.222 -3.296 -10.629 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.629 -1.523 -9.219 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.254 -2.960 -8.433 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.856 -1.926 -9.646 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.226 -3.331 -6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.853 -2.015 -8.226 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.227 -3.424 -4.977 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.035 -2.769 -5.888 1.00 0.00 H new ATOM 840 N ASN A 57 -8.931 -5.089 -10.091 1.00 0.00 N ATOM 841 CA ASN A 57 -9.419 -6.449 -9.890 1.00 0.00 C ATOM 842 C ASN A 57 -9.024 -7.347 -11.058 1.00 0.00 C ATOM 843 O ASN A 57 -8.666 -8.509 -10.867 1.00 0.00 O ATOM 844 CB ASN A 57 -10.940 -6.447 -9.725 1.00 0.00 C ATOM 845 CG ASN A 57 -11.378 -7.023 -8.392 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.255 -6.475 -7.725 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.765 -8.133 -7.998 1.00 0.00 N ATOM 0 H ASN A 57 -9.664 -4.395 -10.239 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.962 -6.842 -8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.311 -5.426 -9.816 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.391 -7.024 -10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.016 -8.566 -7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.043 -8.553 -8.584 1.00 0.00 H new ATOM 854 N GLU A 58 -9.091 -6.799 -12.268 1.00 0.00 N ATOM 855 CA GLU A 58 -8.740 -7.552 -13.467 1.00 0.00 C ATOM 856 C GLU A 58 -7.246 -7.863 -13.496 1.00 0.00 C ATOM 857 O GLU A 58 -6.844 -9.024 -13.579 1.00 0.00 O ATOM 858 CB GLU A 58 -9.133 -6.768 -14.721 1.00 0.00 C ATOM 859 CG GLU A 58 -10.624 -6.800 -15.016 1.00 0.00 C ATOM 860 CD GLU A 58 -10.961 -6.223 -16.377 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.325 -6.635 -17.370 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.860 -5.360 -16.450 1.00 0.00 O ATOM 0 H GLU A 58 -9.385 -5.838 -12.444 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.289 -8.493 -13.448 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.816 -5.732 -14.606 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.593 -7.173 -15.577 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.979 -7.829 -14.964 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.155 -6.240 -14.246 1.00 0.00 H new ATOM 869 N PHE A 59 -6.429 -6.818 -13.428 1.00 0.00 N ATOM 870 CA PHE A 59 -4.979 -6.978 -13.448 1.00 0.00 C ATOM 871 C PHE A 59 -4.521 -7.922 -12.340 1.00 0.00 C ATOM 872 O PHE A 59 -3.621 -8.739 -12.539 1.00 0.00 O ATOM 873 CB PHE A 59 -4.292 -5.620 -13.293 1.00 0.00 C ATOM 874 CG PHE A 59 -2.836 -5.640 -13.660 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.408 -6.265 -14.820 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.894 -5.033 -12.844 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.069 -6.284 -15.161 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.554 -5.049 -13.180 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.140 -5.677 -14.339 1.00 0.00 C ATOM 0 H PHE A 59 -6.746 -5.851 -13.359 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.700 -7.411 -14.409 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.806 -4.889 -13.917 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.394 -5.286 -12.260 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.130 -6.743 -15.466 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.211 -4.542 -11.936 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.749 -6.773 -16.069 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.170 -4.571 -12.537 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.908 -5.693 -14.601 1.00 0.00 H new ATOM 889 N ILE A 60 -5.146 -7.803 -11.174 1.00 0.00 N ATOM 890 CA ILE A 60 -4.804 -8.645 -10.034 1.00 0.00 C ATOM 891 C ILE A 60 -5.151 -10.105 -10.306 1.00 0.00 C ATOM 892 O ILE A 60 -4.349 -11.002 -10.049 1.00 0.00 O ATOM 893 CB ILE A 60 -5.530 -8.185 -8.756 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.842 -6.950 -8.169 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.568 -9.312 -7.735 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.559 -7.266 -7.434 1.00 0.00 C ATOM 0 H ILE A 60 -5.892 -7.131 -10.993 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.728 -8.552 -9.884 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.555 -7.919 -9.013 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.627 -6.247 -8.974 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.529 -6.451 -7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.084 -8.972 -6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.097 -10.167 -8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.550 -9.606 -7.479 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.126 -6.344 -7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.771 -7.945 -6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.854 -7.737 -8.119 1.00 0.00 H new ATOM 908 N SER A 61 -6.352 -10.335 -10.827 1.00 0.00 N ATOM 909 CA SER A 61 -6.807 -11.686 -11.132 1.00 0.00 C ATOM 910 C SER A 61 -5.743 -12.455 -11.910 1.00 0.00 C ATOM 911 O SER A 61 -5.674 -13.683 -11.843 1.00 0.00 O ATOM 912 CB SER A 61 -8.108 -11.640 -11.935 1.00 0.00 C ATOM 913 OG SER A 61 -9.231 -11.518 -11.079 1.00 0.00 O ATOM 0 H SER A 61 -7.027 -9.603 -11.047 1.00 0.00 H new ATOM 0 HA SER A 61 -6.988 -12.203 -10.190 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.082 -10.799 -12.628 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.201 -12.545 -12.535 1.00 0.00 H new ATOM 0 HG SER A 61 -9.334 -10.583 -10.805 1.00 0.00 H new ATOM 919 N PHE A 62 -4.915 -11.724 -12.648 1.00 0.00 N ATOM 920 CA PHE A 62 -3.854 -12.335 -13.441 1.00 0.00 C ATOM 921 C PHE A 62 -2.800 -12.971 -12.540 1.00 0.00 C ATOM 922 O PHE A 62 -2.344 -14.088 -12.792 1.00 0.00 O ATOM 923 CB PHE A 62 -3.202 -11.292 -14.350 1.00 0.00 C ATOM 924 CG PHE A 62 -2.504 -11.887 -15.540 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.508 -12.835 -15.374 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.846 -11.498 -16.826 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.864 -13.383 -16.467 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.206 -12.043 -17.923 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.214 -12.987 -17.743 1.00 0.00 C ATOM 0 H PHE A 62 -4.958 -10.707 -12.714 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.299 -13.116 -14.058 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.966 -10.596 -14.697 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.484 -10.713 -13.769 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.231 -13.150 -14.379 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.621 -10.761 -16.972 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.088 -14.120 -16.324 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.481 -11.731 -18.920 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.713 -13.415 -18.599 1.00 0.00 H new ATOM 939 N CYS A 63 -2.417 -12.253 -11.490 1.00 0.00 N ATOM 940 CA CYS A 63 -1.415 -12.746 -10.551 1.00 0.00 C ATOM 941 C CYS A 63 -2.003 -13.821 -9.642 1.00 0.00 C ATOM 942 O CYS A 63 -1.376 -14.849 -9.393 1.00 0.00 O ATOM 943 CB CYS A 63 -0.865 -11.594 -9.709 1.00 0.00 C ATOM 944 SG CYS A 63 0.361 -12.099 -8.479 1.00 0.00 S ATOM 0 H CYS A 63 -2.785 -11.328 -11.267 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.601 -13.188 -11.126 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.415 -10.855 -10.373 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.694 -11.102 -9.200 1.00 0.00 H new ATOM 0 HG CYS A 63 0.768 -11.056 -7.819 1.00 0.00 H new ATOM 950 N ASN A 64 -3.212 -13.573 -9.149 1.00 0.00 N ATOM 951 CA ASN A 64 -3.885 -14.519 -8.265 1.00 0.00 C ATOM 952 C ASN A 64 -4.024 -15.884 -8.933 1.00 0.00 C ATOM 953 O ASN A 64 -4.108 -16.910 -8.259 1.00 0.00 O ATOM 954 CB ASN A 64 -5.265 -13.988 -7.872 1.00 0.00 C ATOM 955 CG ASN A 64 -5.296 -13.452 -6.453 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.883 -14.061 -5.560 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.661 -12.305 -6.241 1.00 0.00 N ATOM 0 H ASN A 64 -3.746 -12.726 -9.346 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.278 -14.634 -7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.557 -13.197 -8.563 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.000 -14.786 -7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.647 -11.895 -5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.187 -11.834 -7.012 1.00 0.00 H new ATOM 964 N ALA A 65 -4.046 -15.886 -10.262 1.00 0.00 N ATOM 965 CA ALA A 65 -4.172 -17.124 -11.021 1.00 0.00 C ATOM 966 C ALA A 65 -2.841 -17.865 -11.087 1.00 0.00 C ATOM 967 O ALA A 65 -2.799 -19.060 -11.378 1.00 0.00 O ATOM 968 CB ALA A 65 -4.687 -16.833 -12.423 1.00 0.00 C ATOM 0 H ALA A 65 -3.978 -15.045 -10.835 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.889 -17.765 -10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.776 -17.766 -12.979 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.664 -16.354 -12.360 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.990 -16.170 -12.936 1.00 0.00 H new ATOM 974 N ASN A 66 -1.755 -17.148 -10.816 1.00 0.00 N ATOM 975 CA ASN A 66 -0.422 -17.738 -10.847 1.00 0.00 C ATOM 976 C ASN A 66 -0.199 -18.511 -12.142 1.00 0.00 C ATOM 977 O ASN A 66 0.177 -19.684 -12.138 1.00 0.00 O ATOM 978 CB ASN A 66 -0.225 -18.665 -9.646 1.00 0.00 C ATOM 979 CG ASN A 66 0.193 -17.913 -8.397 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.365 -17.917 -8.019 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.767 -17.262 -7.749 1.00 0.00 N ATOM 0 H ASN A 66 -1.772 -16.158 -10.573 1.00 0.00 H new ATOM 0 HA ASN A 66 0.308 -16.930 -10.798 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.153 -19.203 -9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.531 -19.412 -9.887 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.546 -16.738 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.725 -17.286 -8.098 1.00 0.00 H new ATOM 988 N PRO A 67 -0.434 -17.841 -13.280 1.00 0.00 N ATOM 989 CA PRO A 67 -0.264 -18.444 -14.605 1.00 0.00 C ATOM 990 C PRO A 67 1.201 -18.698 -14.943 1.00 0.00 C ATOM 991 O PRO A 67 1.531 -19.661 -15.634 1.00 0.00 O ATOM 992 CB PRO A 67 -0.858 -17.397 -15.551 1.00 0.00 C ATOM 993 CG PRO A 67 -0.726 -16.107 -14.818 1.00 0.00 C ATOM 994 CD PRO A 67 -0.884 -16.441 -13.360 1.00 0.00 C ATOM 0 HA PRO A 67 -0.744 -19.420 -14.673 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.321 -17.370 -16.499 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.901 -17.617 -15.781 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.243 -15.646 -15.010 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.486 -15.396 -15.140 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.280 -15.788 -12.730 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.918 -16.332 -13.032 1.00 0.00 H new ATOM 1002 N GLY A 68 2.077 -17.828 -14.450 1.00 0.00 N ATOM 1003 CA GLY A 68 3.497 -17.976 -14.710 1.00 0.00 C ATOM 1004 C GLY A 68 4.048 -16.857 -15.572 1.00 0.00 C ATOM 1005 O GLY A 68 5.180 -16.933 -16.052 1.00 0.00 O ATOM 0 H GLY A 68 1.828 -17.023 -13.875 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.036 -18.000 -13.763 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.675 -18.932 -15.203 1.00 0.00 H new ATOM 1009 N LEU A 69 3.246 -15.817 -15.772 1.00 0.00 N ATOM 1010 CA LEU A 69 3.660 -14.677 -16.583 1.00 0.00 C ATOM 1011 C LEU A 69 4.054 -13.496 -15.703 1.00 0.00 C ATOM 1012 O LEU A 69 5.181 -13.007 -15.773 1.00 0.00 O ATOM 1013 CB LEU A 69 2.532 -14.267 -17.532 1.00 0.00 C ATOM 1014 CG LEU A 69 2.059 -15.338 -18.515 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.242 -15.948 -19.251 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.266 -16.415 -17.790 1.00 0.00 C ATOM 0 H LEU A 69 2.306 -15.739 -15.384 1.00 0.00 H new ATOM 0 HA LEU A 69 4.530 -14.975 -17.168 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.678 -13.949 -16.933 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.862 -13.399 -18.103 1.00 0.00 H new ATOM 0 HG LEU A 69 1.406 -14.866 -19.249 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.885 -16.708 -19.946 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.768 -15.169 -19.803 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.922 -16.405 -18.532 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.937 -17.169 -18.506 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.896 -16.883 -17.033 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.396 -15.966 -17.311 1.00 0.00 H new ATOM 1028 N MET A 70 3.120 -13.045 -14.873 1.00 0.00 N ATOM 1029 CA MET A 70 3.372 -11.923 -13.976 1.00 0.00 C ATOM 1030 C MET A 70 4.481 -12.259 -12.984 1.00 0.00 C ATOM 1031 O MET A 70 5.053 -11.370 -12.352 1.00 0.00 O ATOM 1032 CB MET A 70 2.094 -11.548 -13.223 1.00 0.00 C ATOM 1033 CG MET A 70 0.961 -11.103 -14.133 1.00 0.00 C ATOM 1034 SD MET A 70 0.767 -9.311 -14.177 1.00 0.00 S ATOM 1035 CE MET A 70 1.862 -8.886 -15.529 1.00 0.00 C ATOM 0 H MET A 70 2.182 -13.439 -14.803 1.00 0.00 H new ATOM 0 HA MET A 70 3.693 -11.073 -14.578 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.763 -12.405 -12.637 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.319 -10.747 -12.518 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.146 -11.469 -15.143 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.029 -11.557 -13.795 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.906 -7.802 -15.634 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.861 -9.272 -15.323 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.486 -9.325 -16.453 1.00 0.00 H new ATOM 1045 N LYS A 71 4.780 -13.546 -12.852 1.00 0.00 N ATOM 1046 CA LYS A 71 5.822 -14.000 -11.938 1.00 0.00 C ATOM 1047 C LYS A 71 7.138 -13.280 -12.212 1.00 0.00 C ATOM 1048 O LYS A 71 7.776 -12.763 -11.294 1.00 0.00 O ATOM 1049 CB LYS A 71 6.019 -15.512 -12.067 1.00 0.00 C ATOM 1050 CG LYS A 71 4.727 -16.305 -11.966 1.00 0.00 C ATOM 1051 CD LYS A 71 4.063 -16.119 -10.612 1.00 0.00 C ATOM 1052 CE LYS A 71 2.987 -15.046 -10.662 1.00 0.00 C ATOM 1053 NZ LYS A 71 1.955 -15.342 -11.694 1.00 0.00 N ATOM 0 H LYS A 71 4.315 -14.294 -13.367 1.00 0.00 H new ATOM 0 HA LYS A 71 5.505 -13.766 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.494 -15.728 -13.024 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.704 -15.848 -11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.043 -15.990 -12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.935 -17.363 -12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.623 -17.062 -10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.815 -15.848 -9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.510 -14.964 -9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.447 -14.081 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.025 -15.019 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.195 -14.847 -12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.923 -16.367 -11.869 1.00 0.00 H new ATOM 1067 N ASP A 72 7.537 -13.249 -13.478 1.00 0.00 N ATOM 1068 CA ASP A 72 8.777 -12.589 -13.873 1.00 0.00 C ATOM 1069 C ASP A 72 8.558 -11.092 -14.067 1.00 0.00 C ATOM 1070 O ASP A 72 9.467 -10.288 -13.858 1.00 0.00 O ATOM 1071 CB ASP A 72 9.321 -13.208 -15.161 1.00 0.00 C ATOM 1072 CG ASP A 72 9.686 -14.670 -14.992 1.00 0.00 C ATOM 1073 OD1 ASP A 72 8.805 -15.529 -15.206 1.00 0.00 O ATOM 1074 OD2 ASP A 72 10.851 -14.955 -14.644 1.00 0.00 O ATOM 0 H ASP A 72 7.021 -13.673 -14.249 1.00 0.00 H new ATOM 0 HA ASP A 72 9.505 -12.731 -13.075 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.575 -13.112 -15.950 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.201 -12.652 -15.484 1.00 0.00 H new ATOM 1079 N VAL A 73 7.345 -10.723 -14.468 1.00 0.00 N ATOM 1080 CA VAL A 73 7.006 -9.323 -14.690 1.00 0.00 C ATOM 1081 C VAL A 73 7.127 -8.517 -13.402 1.00 0.00 C ATOM 1082 O VAL A 73 7.766 -7.466 -13.373 1.00 0.00 O ATOM 1083 CB VAL A 73 5.577 -9.172 -15.245 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.270 -7.712 -15.540 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.397 -10.026 -16.491 1.00 0.00 C ATOM 0 H VAL A 73 6.581 -11.375 -14.646 1.00 0.00 H new ATOM 0 HA VAL A 73 7.715 -8.939 -15.423 1.00 0.00 H new ATOM 0 HB VAL A 73 4.873 -9.520 -14.489 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.256 -7.625 -15.931 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.356 -7.130 -14.623 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.977 -7.333 -16.278 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.382 -9.907 -16.870 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.108 -9.711 -17.254 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.572 -11.073 -16.243 1.00 0.00 H new ATOM 1095 N ALA A 74 6.509 -9.018 -12.337 1.00 0.00 N ATOM 1096 CA ALA A 74 6.549 -8.346 -11.044 1.00 0.00 C ATOM 1097 C ALA A 74 7.960 -8.349 -10.468 1.00 0.00 C ATOM 1098 O ALA A 74 8.271 -7.584 -9.555 1.00 0.00 O ATOM 1099 CB ALA A 74 5.579 -9.007 -10.076 1.00 0.00 C ATOM 0 H ALA A 74 5.975 -9.887 -12.344 1.00 0.00 H new ATOM 0 HA ALA A 74 6.248 -7.309 -11.191 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.619 -8.495 -9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.567 -8.947 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.855 -10.053 -9.942 1.00 0.00 H new ATOM 1105 N LYS A 75 8.812 -9.216 -11.005 1.00 0.00 N ATOM 1106 CA LYS A 75 10.192 -9.320 -10.545 1.00 0.00 C ATOM 1107 C LYS A 75 10.998 -8.094 -10.962 1.00 0.00 C ATOM 1108 O LYS A 75 11.966 -7.720 -10.300 1.00 0.00 O ATOM 1109 CB LYS A 75 10.844 -10.586 -11.103 1.00 0.00 C ATOM 1110 CG LYS A 75 11.850 -10.316 -12.209 1.00 0.00 C ATOM 1111 CD LYS A 75 12.199 -11.586 -12.967 1.00 0.00 C ATOM 1112 CE LYS A 75 12.775 -12.647 -12.042 1.00 0.00 C ATOM 1113 NZ LYS A 75 13.890 -13.397 -12.683 1.00 0.00 N ATOM 0 H LYS A 75 8.571 -9.858 -11.760 1.00 0.00 H new ATOM 0 HA LYS A 75 10.182 -9.374 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.343 -11.116 -10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.066 -11.247 -11.485 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.443 -9.579 -12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.756 -9.886 -11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.307 -11.975 -13.457 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.920 -11.356 -13.752 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.134 -12.175 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.988 -13.343 -11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.255 -14.110 -12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.542 -13.869 -13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.653 -12.737 -12.935 1.00 0.00 H new ATOM 1127 N VAL A 76 10.592 -7.471 -12.064 1.00 0.00 N ATOM 1128 CA VAL A 76 11.275 -6.286 -12.568 1.00 0.00 C ATOM 1129 C VAL A 76 10.500 -5.018 -12.227 1.00 0.00 C ATOM 1130 O VAL A 76 10.612 -4.004 -12.916 1.00 0.00 O ATOM 1131 CB VAL A 76 11.472 -6.358 -14.094 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.512 -7.410 -14.449 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.150 -6.648 -14.789 1.00 0.00 C ATOM 0 H VAL A 76 9.793 -7.768 -12.625 1.00 0.00 H new ATOM 0 HA VAL A 76 12.251 -6.254 -12.084 1.00 0.00 H new ATOM 0 HB VAL A 76 11.835 -5.391 -14.442 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.638 -7.447 -15.531 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.463 -7.154 -13.982 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.182 -8.384 -14.089 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.308 -6.695 -15.866 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.756 -7.602 -14.438 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.438 -5.855 -14.561 1.00 0.00 H new ATOM 1143 N PHE A 77 9.713 -5.082 -11.158 1.00 0.00 N ATOM 1144 CA PHE A 77 8.919 -3.939 -10.724 1.00 0.00 C ATOM 1145 C PHE A 77 8.213 -4.236 -9.404 1.00 0.00 C ATOM 1146 O PHE A 77 7.249 -5.000 -9.364 1.00 0.00 O ATOM 1147 CB PHE A 77 7.889 -3.570 -11.794 1.00 0.00 C ATOM 1148 CG PHE A 77 7.764 -2.091 -12.022 1.00 0.00 C ATOM 1149 CD1 PHE A 77 8.811 -1.371 -12.576 1.00 0.00 C ATOM 1150 CD2 PHE A 77 6.601 -1.420 -11.682 1.00 0.00 C ATOM 1151 CE1 PHE A 77 8.699 -0.010 -12.787 1.00 0.00 C ATOM 1152 CE2 PHE A 77 6.483 -0.059 -11.892 1.00 0.00 C ATOM 1153 CZ PHE A 77 7.534 0.647 -12.444 1.00 0.00 C ATOM 0 H PHE A 77 9.608 -5.913 -10.577 1.00 0.00 H new ATOM 0 HA PHE A 77 9.594 -3.097 -10.573 1.00 0.00 H new ATOM 0 HB2 PHE A 77 8.163 -4.052 -12.732 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.917 -3.968 -11.503 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.725 -1.880 -12.846 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.777 -1.967 -11.248 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.522 0.539 -13.220 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.570 0.452 -11.625 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.445 1.711 -12.607 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.547 -5.385 -18.925 1.00 0.00 MG