USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=17 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 Set 1.1: A 4 MET CE :methyl 137:sc= -0.515 (180deg=-1.44) USER MOD Set 1.2: A 63 CYS SG : rot 33:sc= 1.27 USER MOD Set 1.3: A 70 MET CE :methyl 162:sc= -7.42! (180deg=-10.5!) USER MOD Single : A 1 ALA N :NH3+ 170:sc=-0.00171 (180deg=-0.113) USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= -0.275 (180deg=-1.58!) USER MOD Single : A 13 THR OG1 : rot -96:sc= 0.17 USER MOD Single : A 14 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.93) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -45:sc= 0.225 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 50:sc= -0.717 USER MOD Single : A 30 THR OG1 : rot -26:sc= 0.166 USER MOD Single : A 33 SER OG : rot 68:sc= -0.454 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc=-0.000639 X(o=-0.00064,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -140:sc=-0.00959 (180deg=-1.87!) USER MOD Single : A 48 THR OG1 : rot 120:sc= -0.459 USER MOD Single : A 57 ASN : amide:sc= -0.0785 X(o=-0.079,f=0) USER MOD Single : A 61 SER OG : rot 165:sc= 0.134 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 66 ASN : amide:sc=-0.00916 X(o=-0.0092,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 144:sc= 0.308 (180deg=-0.827) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.862 0.652 -0.799 1.00 0.00 N ATOM 2 CA ALA A 1 4.197 1.231 -0.890 1.00 0.00 C ATOM 3 C ALA A 1 5.270 0.151 -0.803 1.00 0.00 C ATOM 4 O ALA A 1 6.312 0.347 -0.177 1.00 0.00 O ATOM 5 CB ALA A 1 4.399 2.268 0.205 1.00 0.00 C ATOM 0 H1 ALA A 1 2.161 1.412 -0.690 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.657 0.113 -1.665 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.814 0.017 0.023 1.00 0.00 H new ATOM 0 HA ALA A 1 4.289 1.721 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.400 2.692 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.659 3.061 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.282 1.795 1.180 1.00 0.00 H new ATOM 11 N ASP A 2 5.009 -0.989 -1.434 1.00 0.00 N ATOM 12 CA ASP A 2 5.953 -2.100 -1.428 1.00 0.00 C ATOM 13 C ASP A 2 6.610 -2.262 -2.795 1.00 0.00 C ATOM 14 O ASP A 2 6.323 -3.212 -3.524 1.00 0.00 O ATOM 15 CB ASP A 2 5.245 -3.397 -1.032 1.00 0.00 C ATOM 16 CG ASP A 2 4.705 -3.352 0.384 1.00 0.00 C ATOM 17 OD1 ASP A 2 3.791 -2.542 0.645 1.00 0.00 O ATOM 18 OD2 ASP A 2 5.197 -4.126 1.232 1.00 0.00 O ATOM 0 H ASP A 2 4.151 -1.168 -1.956 1.00 0.00 H new ATOM 0 HA ASP A 2 6.729 -1.881 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.425 -3.586 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.941 -4.231 -1.126 1.00 0.00 H new ATOM 23 N ASP A 3 7.492 -1.329 -3.136 1.00 0.00 N ATOM 24 CA ASP A 3 8.190 -1.368 -4.416 1.00 0.00 C ATOM 25 C ASP A 3 8.921 -2.695 -4.596 1.00 0.00 C ATOM 26 O ASP A 3 8.883 -3.295 -5.669 1.00 0.00 O ATOM 27 CB ASP A 3 9.181 -0.208 -4.516 1.00 0.00 C ATOM 28 CG ASP A 3 8.533 1.133 -4.232 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.292 1.226 -4.334 1.00 0.00 O ATOM 30 OD2 ASP A 3 9.267 2.089 -3.906 1.00 0.00 O ATOM 0 H ASP A 3 7.741 -0.536 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 3 7.449 -1.272 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.998 -0.370 -3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.619 -0.193 -5.514 1.00 0.00 H new ATOM 35 N MET A 4 9.588 -3.145 -3.538 1.00 0.00 N ATOM 36 CA MET A 4 10.328 -4.401 -3.579 1.00 0.00 C ATOM 37 C MET A 4 9.755 -5.403 -2.581 1.00 0.00 C ATOM 38 O MET A 4 9.802 -6.612 -2.806 1.00 0.00 O ATOM 39 CB MET A 4 11.808 -4.156 -3.281 1.00 0.00 C ATOM 40 CG MET A 4 12.059 -3.547 -1.911 1.00 0.00 C ATOM 41 SD MET A 4 12.026 -1.745 -1.935 1.00 0.00 S ATOM 42 CE MET A 4 13.521 -1.391 -2.856 1.00 0.00 C ATOM 0 H MET A 4 9.631 -2.659 -2.642 1.00 0.00 H new ATOM 0 HA MET A 4 10.231 -4.818 -4.581 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.346 -5.101 -3.354 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.219 -3.495 -4.044 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.306 -3.911 -1.212 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.027 -3.884 -1.540 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.325 -0.597 -3.577 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.305 -1.072 -2.169 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.844 -2.288 -3.383 1.00 0.00 H new ATOM 52 N GLU A 5 9.216 -4.891 -1.479 1.00 0.00 N ATOM 53 CA GLU A 5 8.636 -5.743 -0.447 1.00 0.00 C ATOM 54 C GLU A 5 7.503 -6.593 -1.016 1.00 0.00 C ATOM 55 O GLU A 5 7.127 -7.612 -0.438 1.00 0.00 O ATOM 56 CB GLU A 5 8.117 -4.893 0.714 1.00 0.00 C ATOM 57 CG GLU A 5 9.219 -4.318 1.588 1.00 0.00 C ATOM 58 CD GLU A 5 8.679 -3.536 2.769 1.00 0.00 C ATOM 59 OE1 GLU A 5 7.572 -3.867 3.244 1.00 0.00 O ATOM 60 OE2 GLU A 5 9.364 -2.594 3.220 1.00 0.00 O ATOM 0 H GLU A 5 9.169 -3.892 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 5 9.417 -6.409 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.518 -4.075 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.456 -5.501 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.849 -5.129 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.853 -3.667 0.986 1.00 0.00 H new ATOM 67 N ARG A 6 6.964 -6.165 -2.153 1.00 0.00 N ATOM 68 CA ARG A 6 5.873 -6.884 -2.800 1.00 0.00 C ATOM 69 C ARG A 6 6.412 -7.973 -3.722 1.00 0.00 C ATOM 70 O ARG A 6 5.650 -8.773 -4.267 1.00 0.00 O ATOM 71 CB ARG A 6 4.995 -5.916 -3.595 1.00 0.00 C ATOM 72 CG ARG A 6 3.755 -6.564 -4.187 1.00 0.00 C ATOM 73 CD ARG A 6 2.780 -5.523 -4.714 1.00 0.00 C ATOM 74 NE ARG A 6 1.396 -5.984 -4.642 1.00 0.00 N ATOM 75 CZ ARG A 6 0.664 -5.941 -3.535 1.00 0.00 C ATOM 76 NH1 ARG A 6 1.182 -5.462 -2.412 1.00 0.00 N ATOM 77 NH2 ARG A 6 -0.588 -6.379 -3.549 1.00 0.00 N ATOM 0 H ARG A 6 7.265 -5.324 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 6 5.270 -7.354 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.691 -5.097 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.586 -5.480 -4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.045 -7.235 -4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.264 -7.173 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.886 -4.603 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.029 -5.283 -5.748 1.00 0.00 H new ATOM 0 HE ARG A 6 0.968 -6.360 -5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.145 -5.126 -2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.618 -5.430 -1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.989 -6.749 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.150 -6.346 -2.698 1.00 0.00 H new ATOM 91 N ILE A 7 7.730 -7.998 -3.893 1.00 0.00 N ATOM 92 CA ILE A 7 8.370 -8.989 -4.749 1.00 0.00 C ATOM 93 C ILE A 7 9.283 -9.905 -3.942 1.00 0.00 C ATOM 94 O ILE A 7 9.343 -11.111 -4.185 1.00 0.00 O ATOM 95 CB ILE A 7 9.191 -8.321 -5.868 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.650 -6.920 -6.160 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.168 -9.176 -7.125 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.321 -6.246 -7.336 1.00 0.00 C ATOM 0 H ILE A 7 8.375 -7.343 -3.450 1.00 0.00 H new ATOM 0 HA ILE A 7 7.572 -9.580 -5.199 1.00 0.00 H new ATOM 0 HB ILE A 7 10.225 -8.229 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.579 -6.986 -6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.778 -6.298 -5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.753 -8.690 -7.906 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.596 -10.155 -6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.139 -9.297 -7.464 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.887 -5.257 -7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.389 -6.148 -7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.171 -6.846 -8.233 1.00 0.00 H new ATOM 110 N PHE A 8 9.991 -9.326 -2.979 1.00 0.00 N ATOM 111 CA PHE A 8 10.901 -10.090 -2.133 1.00 0.00 C ATOM 112 C PHE A 8 10.194 -11.298 -1.525 1.00 0.00 C ATOM 113 O PHE A 8 10.628 -12.437 -1.694 1.00 0.00 O ATOM 114 CB PHE A 8 11.466 -9.203 -1.022 1.00 0.00 C ATOM 115 CG PHE A 8 12.225 -9.965 0.026 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.284 -10.786 -0.326 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.879 -9.861 1.364 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.985 -11.488 0.636 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.576 -10.561 2.330 1.00 0.00 C ATOM 120 CZ PHE A 8 13.630 -11.376 1.966 1.00 0.00 C ATOM 0 H PHE A 8 9.953 -8.330 -2.764 1.00 0.00 H new ATOM 0 HA PHE A 8 11.722 -10.447 -2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.124 -8.455 -1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.647 -8.664 -0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.565 -10.878 -1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.055 -9.226 1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.809 -12.123 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.297 -10.471 3.369 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.175 -11.924 2.720 1.00 0.00 H new ATOM 130 N LYS A 9 9.100 -11.039 -0.815 1.00 0.00 N ATOM 131 CA LYS A 9 8.330 -12.103 -0.181 1.00 0.00 C ATOM 132 C LYS A 9 7.715 -13.027 -1.227 1.00 0.00 C ATOM 133 O LYS A 9 7.341 -14.160 -0.925 1.00 0.00 O ATOM 134 CB LYS A 9 7.230 -11.508 0.700 1.00 0.00 C ATOM 135 CG LYS A 9 7.750 -10.555 1.762 1.00 0.00 C ATOM 136 CD LYS A 9 6.645 -9.659 2.297 1.00 0.00 C ATOM 137 CE LYS A 9 5.924 -10.305 3.470 1.00 0.00 C ATOM 138 NZ LYS A 9 5.126 -11.489 3.048 1.00 0.00 N ATOM 0 H LYS A 9 8.727 -10.102 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 9 9.008 -12.688 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.516 -10.980 0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.687 -12.319 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.186 -11.126 2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.547 -9.941 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.068 -8.704 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.931 -9.446 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.653 -10.608 4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.267 -9.573 3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.292 -11.583 3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.817 -11.366 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.710 -12.346 3.124 1.00 0.00 H new ATOM 152 N ARG A 10 7.614 -12.536 -2.458 1.00 0.00 N ATOM 153 CA ARG A 10 7.044 -13.318 -3.549 1.00 0.00 C ATOM 154 C ARG A 10 8.012 -14.408 -3.999 1.00 0.00 C ATOM 155 O ARG A 10 7.595 -15.482 -4.433 1.00 0.00 O ATOM 156 CB ARG A 10 6.697 -12.409 -4.729 1.00 0.00 C ATOM 157 CG ARG A 10 5.226 -12.443 -5.112 1.00 0.00 C ATOM 158 CD ARG A 10 4.367 -11.724 -4.084 1.00 0.00 C ATOM 159 NE ARG A 10 3.039 -12.320 -3.968 1.00 0.00 N ATOM 160 CZ ARG A 10 2.026 -11.741 -3.333 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.189 -10.557 -2.760 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.847 -12.347 -3.271 1.00 0.00 N ATOM 0 H ARG A 10 7.920 -11.600 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 10 6.133 -13.793 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.976 -11.385 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.295 -12.703 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.092 -11.978 -6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.896 -13.478 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.863 -11.752 -3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.270 -10.675 -4.362 1.00 0.00 H new ATOM 0 HE ARG A 10 2.880 -13.231 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.094 -10.088 -2.806 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.410 -10.114 -2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.718 -13.258 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.070 -11.902 -2.783 1.00 0.00 H new ATOM 176 N PHE A 11 9.306 -14.123 -3.895 1.00 0.00 N ATOM 177 CA PHE A 11 10.333 -15.079 -4.293 1.00 0.00 C ATOM 178 C PHE A 11 10.917 -15.789 -3.075 1.00 0.00 C ATOM 179 O PHE A 11 11.446 -16.895 -3.183 1.00 0.00 O ATOM 180 CB PHE A 11 11.447 -14.369 -5.066 1.00 0.00 C ATOM 181 CG PHE A 11 11.018 -13.879 -6.420 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.612 -14.772 -7.398 1.00 0.00 C ATOM 183 CD2 PHE A 11 11.021 -12.525 -6.713 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.218 -14.323 -8.644 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.627 -12.070 -7.958 1.00 0.00 C ATOM 186 CZ PHE A 11 10.225 -12.971 -8.924 1.00 0.00 C ATOM 0 H PHE A 11 9.668 -13.238 -3.539 1.00 0.00 H new ATOM 0 HA PHE A 11 9.870 -15.825 -4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.804 -13.523 -4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.288 -15.052 -5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.603 -15.831 -7.184 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.335 -11.817 -5.960 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.905 -15.029 -9.399 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.634 -11.012 -8.174 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.916 -12.619 -9.897 1.00 0.00 H new ATOM 196 N ASP A 12 10.817 -15.144 -1.918 1.00 0.00 N ATOM 197 CA ASP A 12 11.334 -15.713 -0.679 1.00 0.00 C ATOM 198 C ASP A 12 10.253 -16.508 0.047 1.00 0.00 C ATOM 199 O ASP A 12 10.399 -16.847 1.222 1.00 0.00 O ATOM 200 CB ASP A 12 11.868 -14.606 0.232 1.00 0.00 C ATOM 201 CG ASP A 12 12.786 -15.139 1.314 1.00 0.00 C ATOM 202 OD1 ASP A 12 13.324 -16.253 1.141 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.968 -14.442 2.334 1.00 0.00 O ATOM 0 H ASP A 12 10.383 -14.227 -1.812 1.00 0.00 H new ATOM 0 HA ASP A 12 12.150 -16.390 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.407 -13.873 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.030 -14.085 0.695 1.00 0.00 H new ATOM 208 N THR A 13 9.167 -16.803 -0.660 1.00 0.00 N ATOM 209 CA THR A 13 8.060 -17.555 -0.084 1.00 0.00 C ATOM 210 C THR A 13 8.535 -18.893 0.471 1.00 0.00 C ATOM 211 O THR A 13 8.034 -19.367 1.490 1.00 0.00 O ATOM 212 CB THR A 13 6.951 -17.808 -1.122 1.00 0.00 C ATOM 213 OG1 THR A 13 7.520 -17.905 -2.433 1.00 0.00 O ATOM 214 CG2 THR A 13 5.918 -16.691 -1.094 1.00 0.00 C ATOM 0 H THR A 13 9.031 -16.532 -1.634 1.00 0.00 H new ATOM 0 HA THR A 13 7.656 -16.950 0.728 1.00 0.00 H new ATOM 0 HB THR A 13 6.456 -18.746 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.454 -17.037 -2.883 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.145 -16.892 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.466 -16.638 -0.104 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.402 -15.742 -1.323 1.00 0.00 H new ATOM 222 N ASN A 14 9.506 -19.498 -0.206 1.00 0.00 N ATOM 223 CA ASN A 14 10.050 -20.783 0.221 1.00 0.00 C ATOM 224 C ASN A 14 10.447 -20.743 1.693 1.00 0.00 C ATOM 225 O ASN A 14 10.380 -21.754 2.392 1.00 0.00 O ATOM 226 CB ASN A 14 11.260 -21.157 -0.636 1.00 0.00 C ATOM 227 CG ASN A 14 10.871 -21.936 -1.878 1.00 0.00 C ATOM 228 OD1 ASN A 14 9.982 -22.786 -1.838 1.00 0.00 O ATOM 229 ND2 ASN A 14 11.538 -21.648 -2.990 1.00 0.00 N ATOM 0 H ASN A 14 9.932 -19.120 -1.052 1.00 0.00 H new ATOM 0 HA ASN A 14 9.275 -21.539 0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.788 -20.250 -0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.954 -21.751 -0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.320 -22.139 -3.857 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.268 -20.935 -2.977 1.00 0.00 H new ATOM 236 N GLY A 15 10.862 -19.569 2.158 1.00 0.00 N ATOM 237 CA GLY A 15 11.264 -19.419 3.544 1.00 0.00 C ATOM 238 C GLY A 15 12.759 -19.578 3.735 1.00 0.00 C ATOM 239 O GLY A 15 13.299 -19.226 4.784 1.00 0.00 O ATOM 0 H GLY A 15 10.927 -18.718 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.957 -18.437 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.743 -20.158 4.152 1.00 0.00 H new ATOM 243 N ASP A 16 13.430 -20.111 2.719 1.00 0.00 N ATOM 244 CA ASP A 16 14.872 -20.317 2.780 1.00 0.00 C ATOM 245 C ASP A 16 15.588 -19.031 3.181 1.00 0.00 C ATOM 246 O ASP A 16 16.652 -19.067 3.799 1.00 0.00 O ATOM 247 CB ASP A 16 15.396 -20.806 1.429 1.00 0.00 C ATOM 248 CG ASP A 16 15.368 -22.317 1.310 1.00 0.00 C ATOM 249 OD1 ASP A 16 14.764 -22.970 2.187 1.00 0.00 O ATOM 250 OD2 ASP A 16 15.953 -22.848 0.342 1.00 0.00 O ATOM 0 H ASP A 16 12.998 -20.408 1.844 1.00 0.00 H new ATOM 0 HA ASP A 16 15.074 -21.076 3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.796 -20.370 0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.417 -20.452 1.289 1.00 0.00 H new ATOM 255 N GLY A 17 14.997 -17.894 2.825 1.00 0.00 N ATOM 256 CA GLY A 17 15.593 -16.613 3.156 1.00 0.00 C ATOM 257 C GLY A 17 15.996 -15.826 1.924 1.00 0.00 C ATOM 258 O GLY A 17 15.562 -14.689 1.735 1.00 0.00 O ATOM 0 H GLY A 17 14.116 -17.838 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.885 -16.027 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.470 -16.775 3.783 1.00 0.00 H new ATOM 262 N LYS A 18 16.830 -16.430 1.085 1.00 0.00 N ATOM 263 CA LYS A 18 17.293 -15.780 -0.135 1.00 0.00 C ATOM 264 C LYS A 18 16.387 -16.124 -1.313 1.00 0.00 C ATOM 265 O LYS A 18 15.532 -17.005 -1.214 1.00 0.00 O ATOM 266 CB LYS A 18 18.732 -16.198 -0.446 1.00 0.00 C ATOM 267 CG LYS A 18 19.635 -16.221 0.775 1.00 0.00 C ATOM 268 CD LYS A 18 21.043 -16.668 0.418 1.00 0.00 C ATOM 269 CE LYS A 18 22.080 -16.014 1.317 1.00 0.00 C ATOM 270 NZ LYS A 18 22.263 -16.765 2.590 1.00 0.00 N ATOM 0 H LYS A 18 17.200 -17.370 1.228 1.00 0.00 H new ATOM 0 HA LYS A 18 17.260 -14.702 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.724 -17.189 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 18 19.149 -15.513 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.670 -15.227 1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 18 19.218 -16.893 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 18 21.115 -17.752 0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.252 -16.418 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.032 -15.955 0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.775 -14.991 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.978 -16.287 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.360 -16.800 3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.579 -17.733 2.380 1.00 0.00 H new ATOM 284 N ILE A 19 16.580 -15.425 -2.427 1.00 0.00 N ATOM 285 CA ILE A 19 15.782 -15.660 -3.623 1.00 0.00 C ATOM 286 C ILE A 19 16.671 -15.900 -4.839 1.00 0.00 C ATOM 287 O ILE A 19 17.632 -15.167 -5.072 1.00 0.00 O ATOM 288 CB ILE A 19 14.842 -14.475 -3.914 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.651 -13.192 -4.117 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.841 -14.302 -2.782 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.798 -11.981 -4.423 1.00 0.00 C ATOM 0 H ILE A 19 17.282 -14.692 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 19 15.183 -16.550 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 19 14.291 -14.684 -4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.237 -12.996 -3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.358 -13.343 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.184 -13.461 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.246 -15.210 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.374 -14.111 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.438 -11.109 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.232 -12.157 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.108 -11.804 -3.598 1.00 0.00 H new ATOM 303 N SER A 20 16.342 -16.930 -5.612 1.00 0.00 N ATOM 304 CA SER A 20 17.111 -17.268 -6.803 1.00 0.00 C ATOM 305 C SER A 20 16.950 -16.196 -7.877 1.00 0.00 C ATOM 306 O SER A 20 15.965 -16.185 -8.617 1.00 0.00 O ATOM 307 CB SER A 20 16.671 -18.626 -7.352 1.00 0.00 C ATOM 308 OG SER A 20 16.211 -19.472 -6.312 1.00 0.00 O ATOM 0 H SER A 20 15.548 -17.545 -5.434 1.00 0.00 H new ATOM 0 HA SER A 20 18.163 -17.321 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.879 -18.485 -8.088 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.505 -19.100 -7.869 1.00 0.00 H new ATOM 0 HG SER A 20 16.830 -19.425 -5.554 1.00 0.00 H new ATOM 314 N LEU A 21 17.923 -15.295 -7.956 1.00 0.00 N ATOM 315 CA LEU A 21 17.890 -14.218 -8.938 1.00 0.00 C ATOM 316 C LEU A 21 17.556 -14.756 -10.326 1.00 0.00 C ATOM 317 O LEU A 21 16.755 -14.170 -11.054 1.00 0.00 O ATOM 318 CB LEU A 21 19.236 -13.490 -8.972 1.00 0.00 C ATOM 319 CG LEU A 21 20.427 -14.256 -8.395 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.659 -14.060 -9.264 1.00 0.00 C ATOM 321 CD2 LEU A 21 20.704 -13.813 -6.966 1.00 0.00 C ATOM 0 H LEU A 21 18.745 -15.289 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 21 17.111 -13.515 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.462 -13.233 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.133 -12.552 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 21 20.181 -15.318 -8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.496 -14.612 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.457 -14.427 -10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.908 -13.000 -9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.555 -14.369 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.929 -12.747 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.827 -14.006 -6.349 1.00 0.00 H new ATOM 333 N SER A 22 18.173 -15.877 -10.684 1.00 0.00 N ATOM 334 CA SER A 22 17.942 -16.494 -11.985 1.00 0.00 C ATOM 335 C SER A 22 16.450 -16.583 -12.287 1.00 0.00 C ATOM 336 O SER A 22 16.037 -16.540 -13.446 1.00 0.00 O ATOM 337 CB SER A 22 18.567 -17.890 -12.029 1.00 0.00 C ATOM 338 OG SER A 22 18.141 -18.674 -10.928 1.00 0.00 O ATOM 0 H SER A 22 18.836 -16.377 -10.092 1.00 0.00 H new ATOM 0 HA SER A 22 18.412 -15.869 -12.744 1.00 0.00 H new ATOM 0 HB2 SER A 22 18.293 -18.386 -12.960 1.00 0.00 H new ATOM 0 HB3 SER A 22 19.654 -17.806 -12.021 1.00 0.00 H new ATOM 0 HG SER A 22 18.553 -19.562 -10.980 1.00 0.00 H new ATOM 344 N GLU A 23 15.646 -16.707 -11.236 1.00 0.00 N ATOM 345 CA GLU A 23 14.199 -16.802 -11.389 1.00 0.00 C ATOM 346 C GLU A 23 13.556 -15.419 -11.355 1.00 0.00 C ATOM 347 O GLU A 23 12.539 -15.178 -12.008 1.00 0.00 O ATOM 348 CB GLU A 23 13.604 -17.680 -10.285 1.00 0.00 C ATOM 349 CG GLU A 23 12.417 -18.511 -10.742 1.00 0.00 C ATOM 350 CD GLU A 23 12.833 -19.752 -11.507 1.00 0.00 C ATOM 351 OE1 GLU A 23 13.104 -19.637 -12.721 1.00 0.00 O ATOM 352 OE2 GLU A 23 12.887 -20.838 -10.893 1.00 0.00 O ATOM 0 H GLU A 23 15.972 -16.744 -10.270 1.00 0.00 H new ATOM 0 HA GLU A 23 13.991 -17.257 -12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.379 -18.346 -9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.294 -17.045 -9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.828 -18.805 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.772 -17.900 -11.373 1.00 0.00 H new ATOM 359 N LEU A 24 14.154 -14.513 -10.590 1.00 0.00 N ATOM 360 CA LEU A 24 13.641 -13.153 -10.469 1.00 0.00 C ATOM 361 C LEU A 24 13.889 -12.362 -11.750 1.00 0.00 C ATOM 362 O LEU A 24 12.959 -11.818 -12.347 1.00 0.00 O ATOM 363 CB LEU A 24 14.295 -12.443 -9.283 1.00 0.00 C ATOM 364 CG LEU A 24 13.736 -11.062 -8.936 1.00 0.00 C ATOM 365 CD1 LEU A 24 13.919 -10.769 -7.455 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.406 -9.988 -9.781 1.00 0.00 C ATOM 0 H LEU A 24 14.996 -14.696 -10.044 1.00 0.00 H new ATOM 0 HA LEU A 24 12.566 -13.210 -10.301 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.200 -13.082 -8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.360 -12.340 -9.489 1.00 0.00 H new ATOM 0 HG LEU A 24 12.669 -11.057 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.516 -9.782 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.393 -11.521 -6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.980 -10.793 -7.208 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.996 -9.012 -9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.479 -9.993 -9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.223 -10.189 -10.837 1.00 0.00 H new ATOM 378 N THR A 25 15.149 -12.304 -12.169 1.00 0.00 N ATOM 379 CA THR A 25 15.520 -11.581 -13.379 1.00 0.00 C ATOM 380 C THR A 25 14.685 -12.039 -14.570 1.00 0.00 C ATOM 381 O THR A 25 14.493 -11.291 -15.529 1.00 0.00 O ATOM 382 CB THR A 25 17.012 -11.768 -13.710 1.00 0.00 C ATOM 383 OG1 THR A 25 17.355 -11.006 -14.873 1.00 0.00 O ATOM 384 CG2 THR A 25 17.335 -13.236 -13.946 1.00 0.00 C ATOM 0 H THR A 25 15.930 -12.749 -11.688 1.00 0.00 H new ATOM 0 HA THR A 25 15.328 -10.525 -13.188 1.00 0.00 H new ATOM 0 HB THR A 25 17.597 -11.416 -12.860 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.032 -10.087 -14.769 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.395 -13.343 -14.178 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.101 -13.809 -13.049 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.741 -13.610 -14.780 1.00 0.00 H new ATOM 392 N ASP A 26 14.192 -13.270 -14.502 1.00 0.00 N ATOM 393 CA ASP A 26 13.376 -13.827 -15.575 1.00 0.00 C ATOM 394 C ASP A 26 11.891 -13.688 -15.256 1.00 0.00 C ATOM 395 O ASP A 26 11.047 -13.736 -16.151 1.00 0.00 O ATOM 396 CB ASP A 26 13.726 -15.299 -15.800 1.00 0.00 C ATOM 397 CG ASP A 26 13.391 -15.766 -17.203 1.00 0.00 C ATOM 398 OD1 ASP A 26 13.396 -14.924 -18.125 1.00 0.00 O ATOM 399 OD2 ASP A 26 13.123 -16.973 -17.378 1.00 0.00 O ATOM 0 H ASP A 26 14.343 -13.902 -13.715 1.00 0.00 H new ATOM 0 HA ASP A 26 13.588 -13.268 -16.486 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.790 -15.449 -15.615 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.187 -15.912 -15.078 1.00 0.00 H new ATOM 404 N ALA A 27 11.579 -13.516 -13.976 1.00 0.00 N ATOM 405 CA ALA A 27 10.196 -13.369 -13.539 1.00 0.00 C ATOM 406 C ALA A 27 9.804 -11.898 -13.443 1.00 0.00 C ATOM 407 O ALA A 27 8.815 -11.549 -12.798 1.00 0.00 O ATOM 408 CB ALA A 27 9.989 -14.061 -12.200 1.00 0.00 C ATOM 0 H ALA A 27 12.266 -13.475 -13.223 1.00 0.00 H new ATOM 0 HA ALA A 27 9.554 -13.841 -14.282 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.952 -13.943 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.220 -15.122 -12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.647 -13.615 -11.454 1.00 0.00 H new ATOM 414 N LEU A 28 10.586 -11.039 -14.089 1.00 0.00 N ATOM 415 CA LEU A 28 10.320 -9.605 -14.075 1.00 0.00 C ATOM 416 C LEU A 28 9.582 -9.176 -15.339 1.00 0.00 C ATOM 417 O LEU A 28 8.493 -8.607 -15.271 1.00 0.00 O ATOM 418 CB LEU A 28 11.630 -8.825 -13.946 1.00 0.00 C ATOM 419 CG LEU A 28 12.108 -8.546 -12.521 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.627 -8.566 -12.453 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.568 -7.210 -12.030 1.00 0.00 C ATOM 0 H LEU A 28 11.408 -11.311 -14.628 1.00 0.00 H new ATOM 0 HA LEU A 28 9.687 -9.386 -13.215 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.411 -9.377 -14.468 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.514 -7.872 -14.462 1.00 0.00 H new ATOM 0 HG LEU A 28 11.726 -9.332 -11.870 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.948 -8.365 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.992 -9.545 -12.763 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.031 -7.802 -13.117 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.918 -7.027 -11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.920 -6.413 -12.684 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.478 -7.232 -12.040 1.00 0.00 H new ATOM 433 N ARG A 29 10.182 -9.454 -16.492 1.00 0.00 N ATOM 434 CA ARG A 29 9.581 -9.098 -17.772 1.00 0.00 C ATOM 435 C ARG A 29 8.174 -9.676 -17.891 1.00 0.00 C ATOM 436 O ARG A 29 7.287 -9.063 -18.486 1.00 0.00 O ATOM 437 CB ARG A 29 10.450 -9.602 -18.925 1.00 0.00 C ATOM 438 CG ARG A 29 10.046 -9.045 -20.281 1.00 0.00 C ATOM 439 CD ARG A 29 9.046 -9.953 -20.980 1.00 0.00 C ATOM 440 NE ARG A 29 9.147 -9.860 -22.434 1.00 0.00 N ATOM 441 CZ ARG A 29 8.592 -8.887 -23.148 1.00 0.00 C ATOM 442 NH1 ARG A 29 7.901 -7.929 -22.546 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.727 -8.871 -24.468 1.00 0.00 N ATOM 0 H ARG A 29 11.084 -9.925 -16.566 1.00 0.00 H new ATOM 0 HA ARG A 29 9.515 -8.011 -17.824 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.489 -9.338 -18.728 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.399 -10.690 -18.959 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.612 -8.053 -20.154 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.931 -8.927 -20.906 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.214 -10.984 -20.670 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.036 -9.687 -20.669 1.00 0.00 H new ATOM 0 HE ARG A 29 9.672 -10.581 -22.928 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.794 -7.938 -21.532 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.476 -7.183 -23.097 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.257 -9.606 -24.935 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.300 -8.123 -25.015 1.00 0.00 H new ATOM 457 N THR A 30 7.976 -10.861 -17.321 1.00 0.00 N ATOM 458 CA THR A 30 6.678 -11.523 -17.365 1.00 0.00 C ATOM 459 C THR A 30 5.625 -10.719 -16.611 1.00 0.00 C ATOM 460 O THR A 30 4.425 -10.953 -16.761 1.00 0.00 O ATOM 461 CB THR A 30 6.750 -12.941 -16.768 1.00 0.00 C ATOM 462 OG1 THR A 30 5.512 -13.627 -16.983 1.00 0.00 O ATOM 463 CG2 THR A 30 7.053 -12.885 -15.278 1.00 0.00 C ATOM 0 H THR A 30 8.698 -11.382 -16.823 1.00 0.00 H new ATOM 0 HA THR A 30 6.394 -11.593 -18.415 1.00 0.00 H new ATOM 0 HB THR A 30 7.555 -13.481 -17.267 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.787 -12.974 -17.073 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.099 -13.898 -14.878 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.010 -12.388 -15.120 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.267 -12.329 -14.768 1.00 0.00 H new ATOM 471 N LEU A 31 6.081 -9.770 -15.801 1.00 0.00 N ATOM 472 CA LEU A 31 5.177 -8.930 -15.023 1.00 0.00 C ATOM 473 C LEU A 31 5.042 -7.547 -15.652 1.00 0.00 C ATOM 474 O LEU A 31 4.366 -6.672 -15.114 1.00 0.00 O ATOM 475 CB LEU A 31 5.680 -8.801 -13.584 1.00 0.00 C ATOM 476 CG LEU A 31 6.078 -10.105 -12.893 1.00 0.00 C ATOM 477 CD1 LEU A 31 6.672 -9.823 -11.521 1.00 0.00 C ATOM 478 CD2 LEU A 31 4.878 -11.034 -12.776 1.00 0.00 C ATOM 0 H LEU A 31 7.071 -9.563 -15.666 1.00 0.00 H new ATOM 0 HA LEU A 31 4.195 -9.404 -15.017 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.542 -8.133 -13.580 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.902 -8.321 -12.990 1.00 0.00 H new ATOM 0 HG LEU A 31 6.837 -10.599 -13.500 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.949 -10.763 -11.044 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.557 -9.196 -11.630 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.936 -9.307 -10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.180 -11.957 -12.282 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.097 -10.548 -12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.497 -11.263 -13.771 1.00 0.00 H new ATOM 490 N GLY A 32 5.689 -7.358 -16.799 1.00 0.00 N ATOM 491 CA GLY A 32 5.627 -6.081 -17.484 1.00 0.00 C ATOM 492 C GLY A 32 6.863 -5.236 -17.249 1.00 0.00 C ATOM 493 O GLY A 32 6.863 -4.035 -17.518 1.00 0.00 O ATOM 0 H GLY A 32 6.255 -8.067 -17.265 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.505 -6.252 -18.554 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.747 -5.534 -17.146 1.00 0.00 H new ATOM 497 N SER A 33 7.920 -5.864 -16.745 1.00 0.00 N ATOM 498 CA SER A 33 9.167 -5.161 -16.468 1.00 0.00 C ATOM 499 C SER A 33 9.798 -4.646 -17.758 1.00 0.00 C ATOM 500 O SER A 33 9.210 -4.748 -18.835 1.00 0.00 O ATOM 501 CB SER A 33 10.147 -6.084 -15.741 1.00 0.00 C ATOM 502 OG SER A 33 9.657 -6.442 -14.461 1.00 0.00 O ATOM 0 H SER A 33 7.938 -6.859 -16.520 1.00 0.00 H new ATOM 0 HA SER A 33 8.940 -4.308 -15.829 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.313 -6.983 -16.335 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.112 -5.587 -15.639 1.00 0.00 H new ATOM 0 HG SER A 33 8.872 -7.020 -14.561 1.00 0.00 H new ATOM 508 N THR A 34 11.001 -4.092 -17.642 1.00 0.00 N ATOM 509 CA THR A 34 11.712 -3.559 -18.796 1.00 0.00 C ATOM 510 C THR A 34 13.200 -3.881 -18.722 1.00 0.00 C ATOM 511 O THR A 34 13.780 -4.406 -19.673 1.00 0.00 O ATOM 512 CB THR A 34 11.534 -2.033 -18.911 1.00 0.00 C ATOM 513 OG1 THR A 34 10.493 -1.594 -18.032 1.00 0.00 O ATOM 514 CG2 THR A 34 11.200 -1.634 -20.341 1.00 0.00 C ATOM 0 H THR A 34 11.503 -4.001 -16.759 1.00 0.00 H new ATOM 0 HA THR A 34 11.283 -4.035 -19.678 1.00 0.00 H new ATOM 0 HB THR A 34 12.473 -1.557 -18.628 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.387 -0.623 -18.110 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.079 -0.552 -20.398 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.008 -1.944 -21.003 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.273 -2.120 -20.647 1.00 0.00 H new ATOM 522 N SER A 35 13.814 -3.564 -17.587 1.00 0.00 N ATOM 523 CA SER A 35 15.237 -3.818 -17.390 1.00 0.00 C ATOM 524 C SER A 35 15.465 -5.207 -16.802 1.00 0.00 C ATOM 525 O SER A 35 16.152 -5.361 -15.793 1.00 0.00 O ATOM 526 CB SER A 35 15.843 -2.756 -16.469 1.00 0.00 C ATOM 527 OG SER A 35 15.626 -1.453 -16.982 1.00 0.00 O ATOM 0 H SER A 35 13.349 -3.131 -16.789 1.00 0.00 H new ATOM 0 HA SER A 35 15.728 -3.769 -18.362 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.402 -2.837 -15.475 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.913 -2.933 -16.359 1.00 0.00 H new ATOM 0 HG SER A 35 16.021 -0.793 -16.375 1.00 0.00 H new ATOM 533 N ALA A 36 14.883 -6.216 -17.442 1.00 0.00 N ATOM 534 CA ALA A 36 15.023 -7.593 -16.985 1.00 0.00 C ATOM 535 C ALA A 36 16.205 -8.278 -17.663 1.00 0.00 C ATOM 536 O ALA A 36 16.912 -9.073 -17.044 1.00 0.00 O ATOM 537 CB ALA A 36 13.741 -8.369 -17.245 1.00 0.00 C ATOM 0 H ALA A 36 14.310 -6.105 -18.279 1.00 0.00 H new ATOM 0 HA ALA A 36 15.212 -7.576 -15.912 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.860 -9.396 -16.899 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.916 -7.899 -16.709 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.526 -8.369 -18.314 1.00 0.00 H new ATOM 543 N ASP A 37 16.412 -7.966 -18.937 1.00 0.00 N ATOM 544 CA ASP A 37 17.509 -8.552 -19.700 1.00 0.00 C ATOM 545 C ASP A 37 18.807 -7.787 -19.460 1.00 0.00 C ATOM 546 O ASP A 37 19.856 -8.145 -19.994 1.00 0.00 O ATOM 547 CB ASP A 37 17.174 -8.559 -21.192 1.00 0.00 C ATOM 548 CG ASP A 37 16.465 -9.829 -21.620 1.00 0.00 C ATOM 549 OD1 ASP A 37 17.158 -10.807 -21.969 1.00 0.00 O ATOM 550 OD2 ASP A 37 15.216 -9.845 -21.606 1.00 0.00 O ATOM 0 H ASP A 37 15.835 -7.311 -19.464 1.00 0.00 H new ATOM 0 HA ASP A 37 17.646 -9.579 -19.362 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.545 -7.699 -21.424 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.092 -8.447 -21.768 1.00 0.00 H new ATOM 555 N GLU A 38 18.726 -6.731 -18.656 1.00 0.00 N ATOM 556 CA GLU A 38 19.894 -5.915 -18.349 1.00 0.00 C ATOM 557 C GLU A 38 20.679 -6.506 -17.182 1.00 0.00 C ATOM 558 O GLU A 38 21.888 -6.721 -17.278 1.00 0.00 O ATOM 559 CB GLU A 38 19.470 -4.482 -18.018 1.00 0.00 C ATOM 560 CG GLU A 38 19.099 -3.660 -19.241 1.00 0.00 C ATOM 561 CD GLU A 38 19.000 -2.177 -18.939 1.00 0.00 C ATOM 562 OE1 GLU A 38 19.165 -1.800 -17.759 1.00 0.00 O ATOM 563 OE2 GLU A 38 18.756 -1.394 -19.880 1.00 0.00 O ATOM 0 H GLU A 38 17.864 -6.421 -18.206 1.00 0.00 H new ATOM 0 HA GLU A 38 20.538 -5.902 -19.229 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.618 -4.512 -17.338 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.283 -3.984 -17.489 1.00 0.00 H new ATOM 0 HG2 GLU A 38 19.844 -3.819 -20.021 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.145 -4.011 -19.635 1.00 0.00 H new ATOM 570 N VAL A 39 19.984 -6.766 -16.079 1.00 0.00 N ATOM 571 CA VAL A 39 20.615 -7.333 -14.893 1.00 0.00 C ATOM 572 C VAL A 39 20.746 -8.848 -15.012 1.00 0.00 C ATOM 573 O VAL A 39 21.489 -9.476 -14.258 1.00 0.00 O ATOM 574 CB VAL A 39 19.819 -6.996 -13.619 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.350 -7.348 -13.798 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.406 -7.720 -12.417 1.00 0.00 C ATOM 0 H VAL A 39 18.983 -6.593 -15.982 1.00 0.00 H new ATOM 0 HA VAL A 39 21.608 -6.890 -14.820 1.00 0.00 H new ATOM 0 HB VAL A 39 19.892 -5.923 -13.440 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.804 -7.103 -12.887 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.939 -6.780 -14.632 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.254 -8.414 -14.003 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.831 -7.470 -11.525 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.366 -8.796 -12.585 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.443 -7.413 -12.278 1.00 0.00 H new ATOM 586 N GLN A 40 20.020 -9.427 -15.963 1.00 0.00 N ATOM 587 CA GLN A 40 20.056 -10.868 -16.180 1.00 0.00 C ATOM 588 C GLN A 40 21.494 -11.369 -16.275 1.00 0.00 C ATOM 589 O GLN A 40 21.783 -12.521 -15.954 1.00 0.00 O ATOM 590 CB GLN A 40 19.291 -11.233 -17.453 1.00 0.00 C ATOM 591 CG GLN A 40 18.515 -12.536 -17.344 1.00 0.00 C ATOM 592 CD GLN A 40 18.654 -13.402 -18.580 1.00 0.00 C ATOM 593 OE1 GLN A 40 18.387 -12.958 -19.697 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.074 -14.647 -18.387 1.00 0.00 N ATOM 0 H GLN A 40 19.400 -8.920 -16.595 1.00 0.00 H new ATOM 0 HA GLN A 40 19.578 -11.350 -15.327 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.599 -10.427 -17.695 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.995 -11.307 -18.282 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.865 -13.092 -16.474 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.461 -12.314 -17.177 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.284 -14.974 -17.444 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.187 -15.276 -19.182 1.00 0.00 H new ATOM 603 N ARG A 41 22.391 -10.495 -16.720 1.00 0.00 N ATOM 604 CA ARG A 41 23.798 -10.849 -16.860 1.00 0.00 C ATOM 605 C ARG A 41 24.669 -9.986 -15.951 1.00 0.00 C ATOM 606 O ARG A 41 25.865 -10.234 -15.803 1.00 0.00 O ATOM 607 CB ARG A 41 24.245 -10.688 -18.314 1.00 0.00 C ATOM 608 CG ARG A 41 23.914 -9.328 -18.906 1.00 0.00 C ATOM 609 CD ARG A 41 24.694 -9.072 -20.185 1.00 0.00 C ATOM 610 NE ARG A 41 24.193 -9.871 -21.301 1.00 0.00 N ATOM 611 CZ ARG A 41 24.795 -9.942 -22.483 1.00 0.00 C ATOM 612 NH1 ARG A 41 25.915 -9.266 -22.702 1.00 0.00 N ATOM 613 NH2 ARG A 41 24.278 -10.690 -23.448 1.00 0.00 N ATOM 0 H ARG A 41 22.168 -9.537 -16.990 1.00 0.00 H new ATOM 0 HA ARG A 41 23.915 -11.892 -16.564 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.321 -10.849 -18.374 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.773 -11.463 -18.918 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.845 -9.270 -19.113 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.140 -8.549 -18.178 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.634 -8.014 -20.441 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.747 -9.300 -20.019 1.00 0.00 H new ATOM 0 HE ARG A 41 23.334 -10.404 -21.165 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.316 -8.690 -21.962 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.375 -9.322 -23.611 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.417 -11.212 -23.283 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.741 -10.744 -24.355 1.00 0.00 H new ATOM 627 N MET A 42 24.060 -8.972 -15.345 1.00 0.00 N ATOM 628 CA MET A 42 24.779 -8.074 -14.450 1.00 0.00 C ATOM 629 C MET A 42 24.328 -8.268 -13.006 1.00 0.00 C ATOM 630 O MET A 42 24.545 -7.404 -12.156 1.00 0.00 O ATOM 631 CB MET A 42 24.564 -6.619 -14.872 1.00 0.00 C ATOM 632 CG MET A 42 25.380 -6.211 -16.087 1.00 0.00 C ATOM 633 SD MET A 42 25.540 -4.423 -16.249 1.00 0.00 S ATOM 634 CE MET A 42 25.768 -4.262 -18.018 1.00 0.00 C ATOM 0 H MET A 42 23.070 -8.752 -15.458 1.00 0.00 H new ATOM 0 HA MET A 42 25.841 -8.311 -14.515 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.507 -6.464 -15.086 1.00 0.00 H new ATOM 0 HB3 MET A 42 24.819 -5.966 -14.037 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.373 -6.656 -16.019 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.912 -6.613 -16.986 1.00 0.00 H new ATOM 0 HE1 MET A 42 25.882 -3.209 -18.276 1.00 0.00 H new ATOM 0 HE2 MET A 42 26.661 -4.809 -18.321 1.00 0.00 H new ATOM 0 HE3 MET A 42 24.900 -4.670 -18.535 1.00 0.00 H new ATOM 644 N MET A 43 23.701 -9.408 -12.735 1.00 0.00 N ATOM 645 CA MET A 43 23.220 -9.715 -11.393 1.00 0.00 C ATOM 646 C MET A 43 24.346 -10.271 -10.527 1.00 0.00 C ATOM 647 O MET A 43 24.302 -10.178 -9.300 1.00 0.00 O ATOM 648 CB MET A 43 22.068 -10.720 -11.458 1.00 0.00 C ATOM 649 CG MET A 43 21.388 -10.952 -10.118 1.00 0.00 C ATOM 650 SD MET A 43 20.332 -9.576 -9.627 1.00 0.00 S ATOM 651 CE MET A 43 18.722 -10.196 -10.108 1.00 0.00 C ATOM 0 H MET A 43 23.514 -10.134 -13.427 1.00 0.00 H new ATOM 0 HA MET A 43 22.860 -8.790 -10.942 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.328 -10.366 -12.175 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.447 -11.671 -11.834 1.00 0.00 H new ATOM 0 HG2 MET A 43 20.791 -11.862 -10.171 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.147 -11.113 -9.353 1.00 0.00 H new ATOM 0 HE1 MET A 43 18.136 -9.387 -10.545 1.00 0.00 H new ATOM 0 HE2 MET A 43 18.843 -10.993 -10.842 1.00 0.00 H new ATOM 0 HE3 MET A 43 18.205 -10.586 -9.231 1.00 0.00 H new ATOM 661 N ALA A 44 25.353 -10.850 -11.173 1.00 0.00 N ATOM 662 CA ALA A 44 26.491 -11.419 -10.461 1.00 0.00 C ATOM 663 C ALA A 44 27.616 -10.399 -10.319 1.00 0.00 C ATOM 664 O ALA A 44 28.676 -10.704 -9.774 1.00 0.00 O ATOM 665 CB ALA A 44 26.993 -12.664 -11.177 1.00 0.00 C ATOM 0 H ALA A 44 25.404 -10.937 -12.188 1.00 0.00 H new ATOM 0 HA ALA A 44 26.159 -11.697 -9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.843 -13.078 -10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.195 -13.405 -11.221 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.302 -12.402 -12.189 1.00 0.00 H new ATOM 671 N GLU A 45 27.376 -9.188 -10.812 1.00 0.00 N ATOM 672 CA GLU A 45 28.371 -8.124 -10.741 1.00 0.00 C ATOM 673 C GLU A 45 27.869 -6.967 -9.881 1.00 0.00 C ATOM 674 O GLU A 45 28.420 -5.867 -9.921 1.00 0.00 O ATOM 675 CB GLU A 45 28.713 -7.620 -12.144 1.00 0.00 C ATOM 676 CG GLU A 45 27.628 -6.753 -12.761 1.00 0.00 C ATOM 677 CD GLU A 45 28.027 -6.192 -14.112 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.435 -6.985 -14.986 1.00 0.00 O ATOM 679 OE2 GLU A 45 27.933 -4.961 -14.295 1.00 0.00 O ATOM 0 H GLU A 45 26.502 -8.919 -11.264 1.00 0.00 H new ATOM 0 HA GLU A 45 29.271 -8.533 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.641 -7.050 -12.100 1.00 0.00 H new ATOM 0 HB3 GLU A 45 28.896 -8.476 -12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.717 -7.341 -12.871 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.397 -5.930 -12.084 1.00 0.00 H new ATOM 686 N ILE A 46 26.821 -7.225 -9.106 1.00 0.00 N ATOM 687 CA ILE A 46 26.245 -6.206 -8.237 1.00 0.00 C ATOM 688 C ILE A 46 26.396 -6.587 -6.769 1.00 0.00 C ATOM 689 O ILE A 46 26.466 -5.721 -5.896 1.00 0.00 O ATOM 690 CB ILE A 46 24.754 -5.980 -8.547 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.049 -7.318 -8.776 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.596 -5.077 -9.761 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.692 -7.408 -8.113 1.00 0.00 C ATOM 0 H ILE A 46 26.354 -8.131 -9.062 1.00 0.00 H new ATOM 0 HA ILE A 46 26.791 -5.282 -8.428 1.00 0.00 H new ATOM 0 HB ILE A 46 24.291 -5.489 -7.691 1.00 0.00 H new ATOM 0 HG12 ILE A 46 23.932 -7.479 -9.848 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.682 -8.122 -8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.536 -4.927 -9.967 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.067 -4.114 -9.562 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.071 -5.542 -10.625 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.251 -8.384 -8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.804 -7.279 -7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.042 -6.626 -8.506 1.00 0.00 H new ATOM 705 N ASP A 47 26.448 -7.888 -6.503 1.00 0.00 N ATOM 706 CA ASP A 47 26.594 -8.384 -5.140 1.00 0.00 C ATOM 707 C ASP A 47 26.605 -9.910 -5.115 1.00 0.00 C ATOM 708 O ASP A 47 27.492 -10.526 -4.524 1.00 0.00 O ATOM 709 CB ASP A 47 25.463 -7.856 -4.257 1.00 0.00 C ATOM 710 CG ASP A 47 25.975 -7.062 -3.071 1.00 0.00 C ATOM 711 OD1 ASP A 47 27.069 -7.391 -2.566 1.00 0.00 O ATOM 712 OD2 ASP A 47 25.282 -6.113 -2.648 1.00 0.00 O ATOM 0 H ASP A 47 26.391 -8.618 -7.214 1.00 0.00 H new ATOM 0 HA ASP A 47 27.546 -8.025 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.804 -7.226 -4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.865 -8.694 -3.898 1.00 0.00 H new ATOM 717 N THR A 48 25.612 -10.514 -5.761 1.00 0.00 N ATOM 718 CA THR A 48 25.506 -11.966 -5.811 1.00 0.00 C ATOM 719 C THR A 48 26.827 -12.600 -6.229 1.00 0.00 C ATOM 720 O THR A 48 27.275 -12.434 -7.364 1.00 0.00 O ATOM 721 CB THR A 48 24.403 -12.415 -6.788 1.00 0.00 C ATOM 722 OG1 THR A 48 23.178 -11.737 -6.489 1.00 0.00 O ATOM 723 CG2 THR A 48 24.188 -13.919 -6.709 1.00 0.00 C ATOM 0 H THR A 48 24.870 -10.019 -6.257 1.00 0.00 H new ATOM 0 HA THR A 48 25.249 -12.299 -4.805 1.00 0.00 H new ATOM 0 HB THR A 48 24.720 -12.162 -7.800 1.00 0.00 H new ATOM 0 HG1 THR A 48 22.895 -11.214 -7.268 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.404 -14.212 -7.408 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.114 -14.433 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.891 -14.191 -5.696 1.00 0.00 H new ATOM 731 N ASP A 49 27.447 -13.328 -5.306 1.00 0.00 N ATOM 732 CA ASP A 49 28.718 -13.989 -5.580 1.00 0.00 C ATOM 733 C ASP A 49 28.591 -15.500 -5.413 1.00 0.00 C ATOM 734 O ASP A 49 29.443 -16.259 -5.873 1.00 0.00 O ATOM 735 CB ASP A 49 29.807 -13.450 -4.652 1.00 0.00 C ATOM 736 CG ASP A 49 31.197 -13.879 -5.080 1.00 0.00 C ATOM 737 OD1 ASP A 49 31.578 -15.032 -4.791 1.00 0.00 O ATOM 738 OD2 ASP A 49 31.904 -13.060 -5.705 1.00 0.00 O ATOM 0 H ASP A 49 27.090 -13.475 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 49 28.995 -13.778 -6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.756 -12.361 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.619 -13.798 -3.636 1.00 0.00 H new ATOM 743 N GLY A 50 27.521 -15.930 -4.751 1.00 0.00 N ATOM 744 CA GLY A 50 27.303 -17.348 -4.534 1.00 0.00 C ATOM 745 C GLY A 50 26.938 -18.080 -5.810 1.00 0.00 C ATOM 746 O GLY A 50 27.503 -17.813 -6.871 1.00 0.00 O ATOM 0 H GLY A 50 26.801 -15.321 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 50 28.204 -17.790 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 50 26.507 -17.482 -3.801 1.00 0.00 H new ATOM 750 N ASP A 51 25.993 -19.008 -5.708 1.00 0.00 N ATOM 751 CA ASP A 51 25.554 -19.782 -6.863 1.00 0.00 C ATOM 752 C ASP A 51 24.471 -19.037 -7.637 1.00 0.00 C ATOM 753 O ASP A 51 24.042 -19.475 -8.704 1.00 0.00 O ATOM 754 CB ASP A 51 25.031 -21.149 -6.419 1.00 0.00 C ATOM 755 CG ASP A 51 26.145 -22.082 -5.986 1.00 0.00 C ATOM 756 OD1 ASP A 51 26.663 -21.906 -4.863 1.00 0.00 O ATOM 757 OD2 ASP A 51 26.497 -22.989 -6.769 1.00 0.00 O ATOM 0 H ASP A 51 25.516 -19.243 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 51 26.412 -19.925 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.331 -21.017 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.476 -21.606 -7.238 1.00 0.00 H new ATOM 762 N GLY A 52 24.032 -17.906 -7.091 1.00 0.00 N ATOM 763 CA GLY A 52 23.002 -17.119 -7.743 1.00 0.00 C ATOM 764 C GLY A 52 21.801 -16.882 -6.850 1.00 0.00 C ATOM 765 O GLY A 52 20.671 -17.204 -7.218 1.00 0.00 O ATOM 0 H GLY A 52 24.371 -17.522 -6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 52 23.420 -16.159 -8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.680 -17.628 -8.651 1.00 0.00 H new ATOM 769 N PHE A 53 22.044 -16.318 -5.671 1.00 0.00 N ATOM 770 CA PHE A 53 20.973 -16.041 -4.721 1.00 0.00 C ATOM 771 C PHE A 53 21.231 -14.733 -3.978 1.00 0.00 C ATOM 772 O PHE A 53 22.315 -14.157 -4.071 1.00 0.00 O ATOM 773 CB PHE A 53 20.839 -17.191 -3.722 1.00 0.00 C ATOM 774 CG PHE A 53 20.530 -18.512 -4.366 1.00 0.00 C ATOM 775 CD1 PHE A 53 21.539 -19.278 -4.927 1.00 0.00 C ATOM 776 CD2 PHE A 53 19.229 -18.988 -4.410 1.00 0.00 C ATOM 777 CE1 PHE A 53 21.257 -20.494 -5.520 1.00 0.00 C ATOM 778 CE2 PHE A 53 18.942 -20.204 -5.002 1.00 0.00 C ATOM 779 CZ PHE A 53 19.957 -20.957 -5.559 1.00 0.00 C ATOM 0 H PHE A 53 22.973 -16.044 -5.351 1.00 0.00 H new ATOM 0 HA PHE A 53 20.042 -15.944 -5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.766 -17.280 -3.156 1.00 0.00 H new ATOM 0 HB3 PHE A 53 20.051 -16.951 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 53 22.558 -18.921 -4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 53 18.431 -18.403 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 53 22.053 -21.082 -5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 53 17.924 -20.565 -5.029 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.734 -21.906 -6.024 1.00 0.00 H new ATOM 789 N ILE A 54 20.226 -14.270 -3.242 1.00 0.00 N ATOM 790 CA ILE A 54 20.344 -13.032 -2.482 1.00 0.00 C ATOM 791 C ILE A 54 19.378 -13.017 -1.302 1.00 0.00 C ATOM 792 O ILE A 54 18.179 -13.242 -1.465 1.00 0.00 O ATOM 793 CB ILE A 54 20.073 -11.801 -3.367 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.834 -12.032 -4.235 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.285 -11.495 -4.234 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.542 -10.893 -5.187 1.00 0.00 C ATOM 0 H ILE A 54 19.321 -14.733 -3.156 1.00 0.00 H new ATOM 0 HA ILE A 54 21.368 -12.986 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 54 19.886 -10.942 -2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.968 -12.949 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.970 -12.184 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.078 -10.623 -4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.146 -11.292 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.501 -12.351 -4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.651 -11.125 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.376 -9.978 -4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.389 -10.754 -5.859 1.00 0.00 H new ATOM 808 N ASP A 55 19.909 -12.750 -0.114 1.00 0.00 N ATOM 809 CA ASP A 55 19.095 -12.703 1.095 1.00 0.00 C ATOM 810 C ASP A 55 18.170 -11.490 1.080 1.00 0.00 C ATOM 811 O ASP A 55 16.948 -11.629 1.015 1.00 0.00 O ATOM 812 CB ASP A 55 19.988 -12.664 2.336 1.00 0.00 C ATOM 813 CG ASP A 55 19.242 -12.197 3.571 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.139 -12.721 3.832 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.762 -11.307 4.276 1.00 0.00 O ATOM 0 H ASP A 55 20.900 -12.563 0.038 1.00 0.00 H new ATOM 0 HA ASP A 55 18.483 -13.604 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.398 -13.658 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.832 -12.000 2.152 1.00 0.00 H new ATOM 820 N PHE A 56 18.761 -10.301 1.141 1.00 0.00 N ATOM 821 CA PHE A 56 17.990 -9.063 1.136 1.00 0.00 C ATOM 822 C PHE A 56 18.872 -7.874 0.767 1.00 0.00 C ATOM 823 O PHE A 56 18.546 -7.102 -0.132 1.00 0.00 O ATOM 824 CB PHE A 56 17.349 -8.832 2.507 1.00 0.00 C ATOM 825 CG PHE A 56 16.484 -7.605 2.564 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.567 -7.340 1.561 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.589 -6.716 3.622 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.770 -6.212 1.611 1.00 0.00 C ATOM 829 CE2 PHE A 56 15.795 -5.586 3.678 1.00 0.00 C ATOM 830 CZ PHE A 56 14.884 -5.334 2.672 1.00 0.00 C ATOM 0 H PHE A 56 19.771 -10.169 1.194 1.00 0.00 H new ATOM 0 HA PHE A 56 17.205 -9.156 0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.749 -9.703 2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.135 -8.748 3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.473 -8.023 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.300 -6.908 4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.059 -6.017 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.887 -4.901 4.508 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.262 -4.452 2.714 1.00 0.00 H new ATOM 840 N ASN A 57 19.991 -7.735 1.470 1.00 0.00 N ATOM 841 CA ASN A 57 20.921 -6.640 1.218 1.00 0.00 C ATOM 842 C ASN A 57 21.344 -6.613 -0.247 1.00 0.00 C ATOM 843 O ASN A 57 21.370 -5.555 -0.876 1.00 0.00 O ATOM 844 CB ASN A 57 22.154 -6.774 2.114 1.00 0.00 C ATOM 845 CG ASN A 57 22.667 -5.430 2.595 1.00 0.00 C ATOM 846 OD1 ASN A 57 23.810 -5.058 2.329 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.822 -4.695 3.309 1.00 0.00 N ATOM 0 H ASN A 57 20.276 -8.367 2.219 1.00 0.00 H new ATOM 0 HA ASN A 57 20.413 -5.704 1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.908 -7.396 2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.944 -7.287 1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.111 -3.782 3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.884 -5.043 3.505 1.00 0.00 H new ATOM 854 N GLU A 58 21.675 -7.783 -0.785 1.00 0.00 N ATOM 855 CA GLU A 58 22.097 -7.892 -2.176 1.00 0.00 C ATOM 856 C GLU A 58 20.914 -7.703 -3.120 1.00 0.00 C ATOM 857 O GLU A 58 21.084 -7.319 -4.278 1.00 0.00 O ATOM 858 CB GLU A 58 22.752 -9.252 -2.428 1.00 0.00 C ATOM 859 CG GLU A 58 23.980 -9.505 -1.569 1.00 0.00 C ATOM 860 CD GLU A 58 24.653 -10.825 -1.888 1.00 0.00 C ATOM 861 OE1 GLU A 58 23.936 -11.838 -2.027 1.00 0.00 O ATOM 862 OE2 GLU A 58 25.897 -10.846 -1.999 1.00 0.00 O ATOM 0 H GLU A 58 21.659 -8.668 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 58 22.825 -7.104 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 58 22.020 -10.038 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 58 23.034 -9.321 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.693 -8.694 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.692 -9.493 -0.518 1.00 0.00 H new ATOM 869 N PHE A 59 19.714 -7.976 -2.618 1.00 0.00 N ATOM 870 CA PHE A 59 18.501 -7.837 -3.416 1.00 0.00 C ATOM 871 C PHE A 59 18.069 -6.376 -3.499 1.00 0.00 C ATOM 872 O PHE A 59 17.374 -5.976 -4.434 1.00 0.00 O ATOM 873 CB PHE A 59 17.373 -8.681 -2.819 1.00 0.00 C ATOM 874 CG PHE A 59 16.002 -8.217 -3.218 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.418 -8.666 -4.392 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.296 -7.333 -2.418 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.157 -8.240 -4.761 1.00 0.00 C ATOM 878 CE2 PHE A 59 14.033 -6.903 -2.782 1.00 0.00 C ATOM 879 CZ PHE A 59 13.463 -7.358 -3.955 1.00 0.00 C ATOM 0 H PHE A 59 19.556 -8.295 -1.662 1.00 0.00 H new ATOM 0 HA PHE A 59 18.716 -8.192 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.502 -9.718 -3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.452 -8.662 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.955 -9.357 -5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.737 -6.976 -1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.714 -8.596 -5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.493 -6.213 -2.150 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.476 -7.025 -4.242 1.00 0.00 H new ATOM 889 N ILE A 60 18.484 -5.586 -2.515 1.00 0.00 N ATOM 890 CA ILE A 60 18.140 -4.170 -2.477 1.00 0.00 C ATOM 891 C ILE A 60 19.210 -3.326 -3.163 1.00 0.00 C ATOM 892 O ILE A 60 18.933 -2.228 -3.646 1.00 0.00 O ATOM 893 CB ILE A 60 17.960 -3.673 -1.031 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.794 -4.402 -0.360 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.732 -2.169 -1.012 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.452 -4.108 -0.994 1.00 0.00 C ATOM 0 H ILE A 60 19.059 -5.902 -1.734 1.00 0.00 H new ATOM 0 HA ILE A 60 17.196 -4.060 -3.010 1.00 0.00 H new ATOM 0 HB ILE A 60 18.870 -3.890 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.977 -5.476 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.759 -4.122 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.607 -1.833 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.591 -1.665 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.835 -1.930 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.672 -4.658 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.247 -3.039 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.469 -4.414 -2.040 1.00 0.00 H new ATOM 908 N SER A 61 20.432 -3.847 -3.202 1.00 0.00 N ATOM 909 CA SER A 61 21.544 -3.141 -3.828 1.00 0.00 C ATOM 910 C SER A 61 21.277 -2.912 -5.312 1.00 0.00 C ATOM 911 O SER A 61 21.769 -1.950 -5.902 1.00 0.00 O ATOM 912 CB SER A 61 22.842 -3.930 -3.647 1.00 0.00 C ATOM 913 OG SER A 61 23.473 -3.602 -2.421 1.00 0.00 O ATOM 0 H SER A 61 20.677 -4.755 -2.808 1.00 0.00 H new ATOM 0 HA SER A 61 21.646 -2.171 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.628 -4.998 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.518 -3.718 -4.475 1.00 0.00 H new ATOM 0 HG SER A 61 24.152 -4.277 -2.212 1.00 0.00 H new ATOM 919 N PHE A 62 20.493 -3.803 -5.910 1.00 0.00 N ATOM 920 CA PHE A 62 20.160 -3.700 -7.326 1.00 0.00 C ATOM 921 C PHE A 62 18.880 -2.894 -7.526 1.00 0.00 C ATOM 922 O PHE A 62 18.651 -2.328 -8.596 1.00 0.00 O ATOM 923 CB PHE A 62 19.999 -5.094 -7.936 1.00 0.00 C ATOM 924 CG PHE A 62 18.685 -5.294 -8.636 1.00 0.00 C ATOM 925 CD1 PHE A 62 17.541 -5.598 -7.916 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.594 -5.178 -10.014 1.00 0.00 C ATOM 927 CE1 PHE A 62 16.330 -5.783 -8.557 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.386 -5.360 -10.660 1.00 0.00 C ATOM 929 CZ PHE A 62 16.253 -5.664 -9.930 1.00 0.00 C ATOM 0 H PHE A 62 20.076 -4.604 -5.436 1.00 0.00 H new ATOM 0 HA PHE A 62 20.977 -3.183 -7.829 1.00 0.00 H new ATOM 0 HB2 PHE A 62 20.809 -5.268 -8.644 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.099 -5.840 -7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 62 17.596 -5.692 -6.841 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.477 -4.943 -10.589 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.446 -6.020 -7.984 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.328 -5.265 -11.734 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.308 -5.808 -10.433 1.00 0.00 H new ATOM 939 N CYS A 63 18.050 -2.847 -6.491 1.00 0.00 N ATOM 940 CA CYS A 63 16.792 -2.111 -6.552 1.00 0.00 C ATOM 941 C CYS A 63 17.025 -0.617 -6.355 1.00 0.00 C ATOM 942 O CYS A 63 16.468 -0.007 -5.444 1.00 0.00 O ATOM 943 CB CYS A 63 15.820 -2.632 -5.492 1.00 0.00 C ATOM 944 SG CYS A 63 14.866 -4.078 -6.012 1.00 0.00 S ATOM 0 H CYS A 63 18.225 -3.310 -5.599 1.00 0.00 H new ATOM 0 HA CYS A 63 16.358 -2.265 -7.540 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.381 -2.885 -4.593 1.00 0.00 H new ATOM 0 HB3 CYS A 63 15.130 -1.832 -5.223 1.00 0.00 H new ATOM 0 HG CYS A 63 15.589 -4.813 -6.804 1.00 0.00 H new ATOM 950 N ASN A 64 17.854 -0.035 -7.216 1.00 0.00 N ATOM 951 CA ASN A 64 18.164 1.388 -7.135 1.00 0.00 C ATOM 952 C ASN A 64 16.886 2.221 -7.085 1.00 0.00 C ATOM 953 O ASN A 64 16.812 3.219 -6.369 1.00 0.00 O ATOM 954 CB ASN A 64 19.016 1.815 -8.332 1.00 0.00 C ATOM 955 CG ASN A 64 20.490 1.521 -8.125 1.00 0.00 C ATOM 956 OD1 ASN A 64 21.105 2.011 -7.178 1.00 0.00 O ATOM 957 ND2 ASN A 64 21.063 0.717 -9.014 1.00 0.00 N ATOM 0 H ASN A 64 18.323 -0.526 -7.977 1.00 0.00 H new ATOM 0 HA ASN A 64 18.726 1.560 -6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.667 1.298 -9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.882 2.882 -8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 64 22.052 0.483 -8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.514 0.334 -9.783 1.00 0.00 H new ATOM 964 N ALA A 65 15.883 1.802 -7.849 1.00 0.00 N ATOM 965 CA ALA A 65 14.608 2.507 -7.889 1.00 0.00 C ATOM 966 C ALA A 65 14.772 3.907 -8.471 1.00 0.00 C ATOM 967 O ALA A 65 14.036 4.826 -8.118 1.00 0.00 O ATOM 968 CB ALA A 65 14.001 2.581 -6.496 1.00 0.00 C ATOM 0 H ALA A 65 15.929 0.978 -8.449 1.00 0.00 H new ATOM 0 HA ALA A 65 13.934 1.949 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.049 3.110 -6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.838 1.572 -6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.681 3.113 -5.831 1.00 0.00 H new ATOM 974 N ASN A 66 15.744 4.060 -9.365 1.00 0.00 N ATOM 975 CA ASN A 66 16.006 5.349 -9.995 1.00 0.00 C ATOM 976 C ASN A 66 15.286 5.456 -11.336 1.00 0.00 C ATOM 977 O ASN A 66 14.369 6.258 -11.514 1.00 0.00 O ATOM 978 CB ASN A 66 17.510 5.547 -10.194 1.00 0.00 C ATOM 979 CG ASN A 66 18.097 6.544 -9.213 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.770 7.496 -9.607 1.00 0.00 O ATOM 981 ND2 ASN A 66 17.844 6.328 -7.927 1.00 0.00 N ATOM 0 H ASN A 66 16.363 3.308 -9.669 1.00 0.00 H new ATOM 0 HA ASN A 66 15.627 6.130 -9.336 1.00 0.00 H new ATOM 0 HB2 ASN A 66 18.018 4.589 -10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.697 5.890 -11.212 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.213 6.965 -7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.281 5.525 -7.646 1.00 0.00 H new ATOM 988 N PRO A 67 15.710 4.628 -12.302 1.00 0.00 N ATOM 989 CA PRO A 67 15.118 4.608 -13.643 1.00 0.00 C ATOM 990 C PRO A 67 13.702 4.044 -13.644 1.00 0.00 C ATOM 991 O PRO A 67 13.015 4.066 -14.665 1.00 0.00 O ATOM 992 CB PRO A 67 16.059 3.694 -14.432 1.00 0.00 C ATOM 993 CG PRO A 67 16.680 2.812 -13.405 1.00 0.00 C ATOM 994 CD PRO A 67 16.798 3.646 -12.159 1.00 0.00 C ATOM 0 HA PRO A 67 15.024 5.610 -14.062 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.514 3.113 -15.176 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.814 4.270 -14.968 1.00 0.00 H new ATOM 0 HG2 PRO A 67 16.067 1.929 -13.227 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.658 2.460 -13.733 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.679 3.043 -11.259 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.771 4.132 -12.091 1.00 0.00 H new ATOM 1002 N GLY A 68 13.270 3.538 -12.493 1.00 0.00 N ATOM 1003 CA GLY A 68 11.937 2.975 -12.384 1.00 0.00 C ATOM 1004 C GLY A 68 11.892 1.511 -12.775 1.00 0.00 C ATOM 1005 O GLY A 68 10.848 1.002 -13.183 1.00 0.00 O ATOM 0 H GLY A 68 13.819 3.508 -11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.582 3.085 -11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.255 3.539 -13.020 1.00 0.00 H new ATOM 1009 N LEU A 69 13.028 0.832 -12.652 1.00 0.00 N ATOM 1010 CA LEU A 69 13.114 -0.582 -12.998 1.00 0.00 C ATOM 1011 C LEU A 69 12.291 -1.430 -12.034 1.00 0.00 C ATOM 1012 O LEU A 69 11.669 -2.414 -12.434 1.00 0.00 O ATOM 1013 CB LEU A 69 14.573 -1.043 -12.982 1.00 0.00 C ATOM 1014 CG LEU A 69 15.301 -0.920 -11.643 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.111 -2.182 -10.815 1.00 0.00 C ATOM 1016 CD2 LEU A 69 16.780 -0.642 -11.863 1.00 0.00 C ATOM 0 H LEU A 69 13.901 1.238 -12.316 1.00 0.00 H new ATOM 0 HA LEU A 69 12.709 -0.710 -14.002 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.607 -2.086 -13.297 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.123 -0.467 -13.726 1.00 0.00 H new ATOM 0 HG LEU A 69 14.873 -0.081 -11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.636 -2.077 -9.866 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.049 -2.337 -10.627 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.512 -3.038 -11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.282 -0.558 -10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 69 17.223 -1.459 -12.432 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.897 0.290 -12.416 1.00 0.00 H new ATOM 1028 N MET A 70 12.290 -1.040 -10.764 1.00 0.00 N ATOM 1029 CA MET A 70 11.539 -1.763 -9.743 1.00 0.00 C ATOM 1030 C MET A 70 10.413 -0.900 -9.184 1.00 0.00 C ATOM 1031 O MET A 70 9.446 -1.412 -8.619 1.00 0.00 O ATOM 1032 CB MET A 70 12.470 -2.204 -8.612 1.00 0.00 C ATOM 1033 CG MET A 70 13.198 -1.051 -7.940 1.00 0.00 C ATOM 1034 SD MET A 70 12.211 -0.261 -6.654 1.00 0.00 S ATOM 1035 CE MET A 70 11.724 -1.683 -5.680 1.00 0.00 C ATOM 0 H MET A 70 12.800 -0.228 -10.417 1.00 0.00 H new ATOM 0 HA MET A 70 11.100 -2.646 -10.207 1.00 0.00 H new ATOM 0 HB2 MET A 70 11.889 -2.742 -7.863 1.00 0.00 H new ATOM 0 HB3 MET A 70 13.204 -2.905 -9.009 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.128 -1.418 -7.505 1.00 0.00 H new ATOM 0 HG3 MET A 70 13.468 -0.310 -8.692 1.00 0.00 H new ATOM 0 HE1 MET A 70 11.392 -1.353 -4.696 1.00 0.00 H new ATOM 0 HE2 MET A 70 10.910 -2.206 -6.182 1.00 0.00 H new ATOM 0 HE3 MET A 70 12.574 -2.356 -5.569 1.00 0.00 H new ATOM 1045 N LYS A 71 10.544 0.413 -9.344 1.00 0.00 N ATOM 1046 CA LYS A 71 9.537 1.348 -8.856 1.00 0.00 C ATOM 1047 C LYS A 71 8.254 1.243 -9.675 1.00 0.00 C ATOM 1048 O LYS A 71 7.170 1.573 -9.194 1.00 0.00 O ATOM 1049 CB LYS A 71 10.073 2.780 -8.909 1.00 0.00 C ATOM 1050 CG LYS A 71 9.542 3.669 -7.798 1.00 0.00 C ATOM 1051 CD LYS A 71 10.576 4.694 -7.363 1.00 0.00 C ATOM 1052 CE LYS A 71 9.963 5.756 -6.462 1.00 0.00 C ATOM 1053 NZ LYS A 71 9.597 5.208 -5.127 1.00 0.00 N ATOM 0 H LYS A 71 11.338 0.854 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 71 9.309 1.090 -7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.161 2.754 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.813 3.221 -9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.642 4.181 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.256 3.055 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.388 4.193 -6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.012 5.169 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.669 6.577 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.075 6.170 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.183 5.963 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.904 4.442 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.448 4.836 -4.659 1.00 0.00 H new ATOM 1067 N ASP A 72 8.385 0.780 -10.914 1.00 0.00 N ATOM 1068 CA ASP A 72 7.236 0.629 -11.799 1.00 0.00 C ATOM 1069 C ASP A 72 6.981 -0.842 -12.112 1.00 0.00 C ATOM 1070 O ASP A 72 6.579 -1.191 -13.222 1.00 0.00 O ATOM 1071 CB ASP A 72 7.459 1.408 -13.096 1.00 0.00 C ATOM 1072 CG ASP A 72 7.502 2.906 -12.872 1.00 0.00 C ATOM 1073 OD1 ASP A 72 8.286 3.355 -12.010 1.00 0.00 O ATOM 1074 OD2 ASP A 72 6.750 3.631 -13.557 1.00 0.00 O ATOM 0 H ASP A 72 9.275 0.503 -11.328 1.00 0.00 H new ATOM 0 HA ASP A 72 6.360 1.030 -11.289 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.394 1.085 -13.554 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.661 1.172 -13.800 1.00 0.00 H new ATOM 1079 N VAL A 73 7.218 -1.702 -11.126 1.00 0.00 N ATOM 1080 CA VAL A 73 7.013 -3.135 -11.295 1.00 0.00 C ATOM 1081 C VAL A 73 6.118 -3.697 -10.196 1.00 0.00 C ATOM 1082 O VAL A 73 5.398 -4.672 -10.406 1.00 0.00 O ATOM 1083 CB VAL A 73 8.352 -3.897 -11.291 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.675 -4.402 -9.893 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.313 -5.047 -12.286 1.00 0.00 C ATOM 0 H VAL A 73 7.552 -1.430 -10.201 1.00 0.00 H new ATOM 0 HA VAL A 73 6.527 -3.273 -12.261 1.00 0.00 H new ATOM 0 HB VAL A 73 9.142 -3.210 -11.595 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.624 -4.938 -9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.747 -3.557 -9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.885 -5.074 -9.557 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.267 -5.574 -12.270 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.513 -5.736 -12.015 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.131 -4.656 -13.287 1.00 0.00 H new ATOM 1095 N ALA A 74 6.168 -3.073 -9.024 1.00 0.00 N ATOM 1096 CA ALA A 74 5.360 -3.509 -7.892 1.00 0.00 C ATOM 1097 C ALA A 74 3.962 -2.902 -7.950 1.00 0.00 C ATOM 1098 O ALA A 74 3.143 -3.116 -7.055 1.00 0.00 O ATOM 1099 CB ALA A 74 6.043 -3.141 -6.583 1.00 0.00 C ATOM 0 H ALA A 74 6.759 -2.264 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 74 5.260 -4.593 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.428 -3.473 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.018 -3.626 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.173 -2.060 -6.532 1.00 0.00 H new ATOM 1105 N LYS A 75 3.695 -2.143 -9.007 1.00 0.00 N ATOM 1106 CA LYS A 75 2.396 -1.505 -9.183 1.00 0.00 C ATOM 1107 C LYS A 75 1.752 -1.935 -10.497 1.00 0.00 C ATOM 1108 O LYS A 75 0.575 -1.667 -10.740 1.00 0.00 O ATOM 1109 CB LYS A 75 2.544 0.018 -9.149 1.00 0.00 C ATOM 1110 CG LYS A 75 3.603 0.547 -10.102 1.00 0.00 C ATOM 1111 CD LYS A 75 3.051 0.724 -11.506 1.00 0.00 C ATOM 1112 CE LYS A 75 1.882 1.698 -11.527 1.00 0.00 C ATOM 1113 NZ LYS A 75 0.573 0.991 -11.609 1.00 0.00 N ATOM 0 H LYS A 75 4.362 -1.955 -9.756 1.00 0.00 H new ATOM 0 HA LYS A 75 1.751 -1.819 -8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.585 0.474 -9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.793 0.328 -8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.980 1.502 -9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.448 -0.141 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.840 1.086 -12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.729 -0.242 -11.896 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.906 2.314 -10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.985 2.371 -12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.135 1.505 -11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.263 0.948 -12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.676 0.026 -11.236 1.00 0.00 H new ATOM 1127 N VAL A 76 2.530 -2.604 -11.341 1.00 0.00 N ATOM 1128 CA VAL A 76 2.035 -3.074 -12.629 1.00 0.00 C ATOM 1129 C VAL A 76 0.972 -4.152 -12.450 1.00 0.00 C ATOM 1130 O VAL A 76 -0.204 -3.934 -12.743 1.00 0.00 O ATOM 1131 CB VAL A 76 3.176 -3.634 -13.499 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.616 -4.340 -14.725 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.131 -2.521 -13.905 1.00 0.00 C ATOM 0 H VAL A 76 3.507 -2.833 -11.156 1.00 0.00 H new ATOM 0 HA VAL A 76 1.594 -2.213 -13.131 1.00 0.00 H new ATOM 0 HB VAL A 76 3.733 -4.364 -12.912 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.437 -4.729 -15.328 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.975 -5.164 -14.410 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.034 -3.634 -15.317 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.931 -2.934 -14.519 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.589 -1.766 -14.475 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.558 -2.064 -13.012 1.00 0.00 H new ATOM 1143 N PHE A 77 1.393 -5.315 -11.965 1.00 0.00 N ATOM 1144 CA PHE A 77 0.477 -6.429 -11.747 1.00 0.00 C ATOM 1145 C PHE A 77 -0.165 -6.341 -10.365 1.00 0.00 C ATOM 1146 O PHE A 77 -1.376 -6.502 -10.222 1.00 0.00 O ATOM 1147 CB PHE A 77 1.215 -7.761 -11.895 1.00 0.00 C ATOM 1148 CG PHE A 77 0.324 -8.897 -12.307 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -0.299 -8.893 -13.544 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.109 -9.970 -11.456 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -1.120 -9.938 -13.926 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -0.710 -11.017 -11.833 1.00 0.00 C ATOM 1153 CZ PHE A 77 -1.326 -11.001 -13.069 1.00 0.00 C ATOM 0 H PHE A 77 2.362 -5.511 -11.715 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.310 -6.373 -12.499 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.010 -7.647 -12.632 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.693 -8.010 -10.947 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.142 -8.064 -14.218 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.587 -9.988 -10.488 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.600 -9.923 -14.894 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.868 -11.848 -11.161 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.967 -11.818 -13.365 1.00 0.00 H new TER 1163 PHE A 77