USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 518 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 1 SER N :NH3+ 145:sc= 0.0693 (180deg=0) USER MOD Set 1.2: A 2 SER OG : rot 180:sc= -0.693 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.133) USER MOD Single : A 13 ASN : amide:sc= -7.05! K(o=-7.1!,f=0.094) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= -3.37! (180deg=-3.53!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 104:sc= 0.32 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 36 GLN : amide:sc= -14.2! C(o=-14!,f=-21!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -15! C(o=-15!,f=-3.8!) USER MOD Single : A 55 ASN : amide:sc= -7.24! C(o=-7.2!,f=-6.9!) USER MOD Single : A 60 THR OG1 : rot -76:sc= 1.03 USER MOD Single : A 61 SER OG : rot 180:sc= -0.368 USER MOD Single : A 62 CYS SG : rot -78:sc=-0.00168 USER MOD Single : A 65 LYS NZ :NH3+ -101:sc= 0.0933 (180deg=-0.365) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.063 -12.243 0.425 1.00 0.00 N ATOM 2 CA SER A 1 -7.256 -11.076 -0.029 1.00 0.00 C ATOM 3 C SER A 1 -7.406 -9.930 0.975 1.00 0.00 C ATOM 4 O SER A 1 -6.434 -9.403 1.480 1.00 0.00 O ATOM 5 CB SER A 1 -7.751 -10.616 -1.402 1.00 0.00 C ATOM 6 OG SER A 1 -7.941 -11.753 -2.235 1.00 0.00 O ATOM 0 H1 SER A 1 -8.456 -12.736 -0.402 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.457 -12.896 0.962 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.840 -11.913 1.033 1.00 0.00 H new ATOM 0 HA SER A 1 -6.207 -11.365 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.686 -10.065 -1.299 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.029 -9.936 -1.853 1.00 0.00 H new ATOM 0 HG SER A 1 -8.260 -11.464 -3.115 1.00 0.00 H new ATOM 11 N SER A 2 -8.616 -9.540 1.267 1.00 0.00 N ATOM 12 CA SER A 2 -8.828 -8.429 2.239 1.00 0.00 C ATOM 13 C SER A 2 -7.928 -7.253 1.869 1.00 0.00 C ATOM 14 O SER A 2 -7.710 -6.359 2.661 1.00 0.00 O ATOM 15 CB SER A 2 -8.474 -8.906 3.649 1.00 0.00 C ATOM 16 OG SER A 2 -8.021 -10.253 3.589 1.00 0.00 O ATOM 0 H SER A 2 -9.467 -9.942 0.875 1.00 0.00 H new ATOM 0 HA SER A 2 -9.872 -8.119 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.700 -8.269 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.345 -8.832 4.300 1.00 0.00 H new ATOM 0 HG SER A 2 -7.792 -10.561 4.490 1.00 0.00 H new ATOM 22 N ALA A 3 -7.401 -7.241 0.680 1.00 0.00 N ATOM 23 CA ALA A 3 -6.515 -6.118 0.287 1.00 0.00 C ATOM 24 C ALA A 3 -7.356 -4.881 -0.001 1.00 0.00 C ATOM 25 O ALA A 3 -6.926 -3.762 0.204 1.00 0.00 O ATOM 26 CB ALA A 3 -5.727 -6.498 -0.960 1.00 0.00 C ATOM 0 H ALA A 3 -7.545 -7.956 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.822 -5.905 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.077 -5.671 -1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.121 -7.380 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.418 -6.715 -1.775 1.00 0.00 H new ATOM 32 N LYS A 4 -8.564 -5.067 -0.448 1.00 0.00 N ATOM 33 CA LYS A 4 -9.430 -3.893 -0.716 1.00 0.00 C ATOM 34 C LYS A 4 -9.995 -3.430 0.626 1.00 0.00 C ATOM 35 O LYS A 4 -10.133 -2.251 0.887 1.00 0.00 O ATOM 36 CB LYS A 4 -10.553 -4.292 -1.683 1.00 0.00 C ATOM 37 CG LYS A 4 -11.741 -3.329 -1.539 1.00 0.00 C ATOM 38 CD LYS A 4 -12.532 -3.278 -2.855 1.00 0.00 C ATOM 39 CE LYS A 4 -11.915 -2.238 -3.797 1.00 0.00 C ATOM 40 NZ LYS A 4 -12.771 -2.098 -5.009 1.00 0.00 N ATOM 0 H LYS A 4 -8.986 -5.976 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.869 -3.082 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.184 -4.275 -2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.875 -5.313 -1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.390 -3.656 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.384 -2.332 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.527 -4.259 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.573 -3.026 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.826 -1.278 -3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.908 -2.542 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.354 -1.393 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.834 -3.014 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.723 -1.789 -4.728 1.00 0.00 H new ATOM 54 N ARG A 5 -10.298 -4.361 1.490 1.00 0.00 N ATOM 55 CA ARG A 5 -10.826 -4.000 2.834 1.00 0.00 C ATOM 56 C ARG A 5 -9.751 -3.225 3.591 1.00 0.00 C ATOM 57 O ARG A 5 -9.982 -2.151 4.112 1.00 0.00 O ATOM 58 CB ARG A 5 -11.136 -5.281 3.603 1.00 0.00 C ATOM 59 CG ARG A 5 -12.049 -4.962 4.792 1.00 0.00 C ATOM 60 CD ARG A 5 -12.350 -6.247 5.576 1.00 0.00 C ATOM 61 NE ARG A 5 -13.804 -6.301 5.928 1.00 0.00 N ATOM 62 CZ ARG A 5 -14.425 -5.247 6.392 1.00 0.00 C ATOM 63 NH1 ARG A 5 -13.766 -4.149 6.642 1.00 0.00 N ATOM 64 NH2 ARG A 5 -15.707 -5.304 6.633 1.00 0.00 N ATOM 0 H ARG A 5 -10.201 -5.362 1.320 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.727 -3.395 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.619 -6.004 2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.211 -5.738 3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.570 -4.231 5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.978 -4.514 4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.079 -7.119 4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.746 -6.280 6.483 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.319 -7.173 5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.760 -4.109 6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.256 -3.331 7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.221 -6.168 6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.195 -4.485 6.995 1.00 0.00 H new ATOM 78 N VAL A 6 -8.569 -3.772 3.649 1.00 0.00 N ATOM 79 CA VAL A 6 -7.465 -3.084 4.365 1.00 0.00 C ATOM 80 C VAL A 6 -7.252 -1.723 3.697 1.00 0.00 C ATOM 81 O VAL A 6 -6.999 -0.725 4.341 1.00 0.00 O ATOM 82 CB VAL A 6 -6.199 -3.967 4.284 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.270 -3.507 3.153 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.449 -3.929 5.625 1.00 0.00 C ATOM 0 H VAL A 6 -8.322 -4.668 3.230 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.698 -2.926 5.418 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.512 -4.989 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.389 -4.148 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.797 -3.569 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.963 -2.476 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.558 -4.553 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.158 -2.903 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.099 -4.304 6.416 1.00 0.00 H new ATOM 94 N PHE A 7 -7.384 -1.684 2.402 1.00 0.00 N ATOM 95 CA PHE A 7 -7.224 -0.393 1.683 1.00 0.00 C ATOM 96 C PHE A 7 -8.297 0.571 2.208 1.00 0.00 C ATOM 97 O PHE A 7 -8.010 1.699 2.550 1.00 0.00 O ATOM 98 CB PHE A 7 -7.371 -0.615 0.170 1.00 0.00 C ATOM 99 CG PHE A 7 -7.517 0.698 -0.590 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.349 1.945 0.040 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.856 0.661 -1.946 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.531 3.124 -0.683 1.00 0.00 C ATOM 103 CE2 PHE A 7 -8.019 1.848 -2.659 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.857 3.077 -2.025 1.00 0.00 C ATOM 0 H PHE A 7 -7.595 -2.489 1.812 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.234 0.029 1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.501 -1.155 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.241 -1.243 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -7.079 1.989 1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.992 -0.289 -2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.416 4.079 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.272 1.814 -3.708 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.986 3.993 -2.582 1.00 0.00 H new ATOM 114 N GLU A 8 -9.523 0.142 2.315 1.00 0.00 N ATOM 115 CA GLU A 8 -10.564 1.065 2.847 1.00 0.00 C ATOM 116 C GLU A 8 -10.048 1.675 4.152 1.00 0.00 C ATOM 117 O GLU A 8 -10.104 2.867 4.358 1.00 0.00 O ATOM 118 CB GLU A 8 -11.857 0.291 3.117 1.00 0.00 C ATOM 119 CG GLU A 8 -12.503 -0.103 1.787 1.00 0.00 C ATOM 120 CD GLU A 8 -13.670 -1.057 2.052 1.00 0.00 C ATOM 121 OE1 GLU A 8 -14.687 -0.596 2.547 1.00 0.00 O ATOM 122 OE2 GLU A 8 -13.528 -2.231 1.755 1.00 0.00 O ATOM 0 H GLU A 8 -9.846 -0.792 2.062 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.771 1.851 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.644 -0.600 3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.545 0.903 3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.857 0.786 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.767 -0.581 1.140 1.00 0.00 H new ATOM 129 N LYS A 9 -9.545 0.862 5.035 1.00 0.00 N ATOM 130 CA LYS A 9 -9.026 1.385 6.317 1.00 0.00 C ATOM 131 C LYS A 9 -7.965 2.457 6.039 1.00 0.00 C ATOM 132 O LYS A 9 -7.865 3.444 6.742 1.00 0.00 O ATOM 133 CB LYS A 9 -8.410 0.226 7.110 1.00 0.00 C ATOM 134 CG LYS A 9 -7.624 0.762 8.309 1.00 0.00 C ATOM 135 CD LYS A 9 -8.528 1.642 9.173 1.00 0.00 C ATOM 136 CE LYS A 9 -9.752 0.843 9.632 1.00 0.00 C ATOM 137 NZ LYS A 9 -10.274 1.424 10.901 1.00 0.00 N ATOM 0 H LYS A 9 -9.473 -0.149 4.919 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.835 1.832 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.196 -0.447 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.751 -0.355 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.236 -0.067 8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.765 1.337 7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.975 2.006 10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.846 2.517 8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.525 0.866 8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.483 -0.203 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.105 0.883 11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.536 1.380 11.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.546 2.415 10.743 1.00 0.00 H new ATOM 151 N PHE A 10 -7.164 2.268 5.025 1.00 0.00 N ATOM 152 CA PHE A 10 -6.102 3.264 4.708 1.00 0.00 C ATOM 153 C PHE A 10 -6.605 4.305 3.721 1.00 0.00 C ATOM 154 O PHE A 10 -6.031 5.366 3.619 1.00 0.00 O ATOM 155 CB PHE A 10 -4.899 2.536 4.133 1.00 0.00 C ATOM 156 CG PHE A 10 -4.610 1.322 4.990 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.560 1.449 6.387 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.389 0.073 4.396 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.290 0.331 7.184 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.117 -1.044 5.199 1.00 0.00 C ATOM 161 CZ PHE A 10 -4.070 -0.914 6.591 1.00 0.00 C ATOM 0 H PHE A 10 -7.200 1.463 4.400 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.819 3.784 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.096 2.234 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.033 3.197 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.730 2.411 6.847 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.428 -0.030 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.252 0.431 8.259 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.943 -2.007 4.742 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.864 -1.777 7.207 1.00 0.00 H new ATOM 171 N ASP A 11 -7.661 4.045 2.993 1.00 0.00 N ATOM 172 CA ASP A 11 -8.145 5.083 2.045 1.00 0.00 C ATOM 173 C ASP A 11 -8.267 6.396 2.802 1.00 0.00 C ATOM 174 O ASP A 11 -9.331 6.842 3.182 1.00 0.00 O ATOM 175 CB ASP A 11 -9.496 4.674 1.447 1.00 0.00 C ATOM 176 CG ASP A 11 -10.576 4.669 2.534 1.00 0.00 C ATOM 177 OD1 ASP A 11 -10.246 4.943 3.675 1.00 0.00 O ATOM 178 OD2 ASP A 11 -11.717 4.391 2.204 1.00 0.00 O ATOM 0 H ASP A 11 -8.197 3.177 3.014 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.441 5.195 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.774 5.365 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.418 3.684 0.997 1.00 0.00 H new ATOM 183 N LYS A 12 -7.154 7.012 3.002 1.00 0.00 N ATOM 184 CA LYS A 12 -7.098 8.302 3.715 1.00 0.00 C ATOM 185 C LYS A 12 -7.443 9.412 2.727 1.00 0.00 C ATOM 186 O LYS A 12 -7.679 10.547 3.092 1.00 0.00 O ATOM 187 CB LYS A 12 -5.677 8.438 4.251 1.00 0.00 C ATOM 188 CG LYS A 12 -5.047 9.765 3.836 1.00 0.00 C ATOM 189 CD LYS A 12 -3.650 9.840 4.449 1.00 0.00 C ATOM 190 CE LYS A 12 -2.733 10.688 3.561 1.00 0.00 C ATOM 191 NZ LYS A 12 -3.263 12.079 3.486 1.00 0.00 N ATOM 0 H LYS A 12 -6.247 6.664 2.690 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.806 8.363 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.689 8.364 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.067 7.613 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.990 9.836 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.658 10.600 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.705 10.273 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.238 8.837 4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.721 10.694 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.674 10.255 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.540 12.704 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.114 12.094 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.505 12.410 4.442 1.00 0.00 H new ATOM 205 N ASN A 13 -7.514 9.062 1.476 1.00 0.00 N ATOM 206 CA ASN A 13 -7.890 10.046 0.418 1.00 0.00 C ATOM 207 C ASN A 13 -9.184 9.571 -0.264 1.00 0.00 C ATOM 208 O ASN A 13 -9.554 10.058 -1.312 1.00 0.00 O ATOM 209 CB ASN A 13 -6.767 10.133 -0.618 1.00 0.00 C ATOM 210 CG ASN A 13 -6.279 8.724 -0.959 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.134 8.535 -1.318 1.00 0.00 O ATOM 212 ND2 ASN A 13 -7.106 7.719 -0.861 1.00 0.00 N ATOM 0 H ASN A 13 -7.325 8.120 1.133 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.046 11.029 0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.125 10.633 -1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.943 10.731 -0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.791 6.775 -1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.068 7.877 -0.560 1.00 0.00 H new ATOM 219 N LYS A 14 -9.862 8.615 0.336 1.00 0.00 N ATOM 220 CA LYS A 14 -11.132 8.081 -0.262 1.00 0.00 C ATOM 221 C LYS A 14 -11.061 8.284 -1.772 1.00 0.00 C ATOM 222 O LYS A 14 -11.924 8.879 -2.389 1.00 0.00 O ATOM 223 CB LYS A 14 -12.336 8.833 0.314 1.00 0.00 C ATOM 224 CG LYS A 14 -12.138 9.060 1.823 1.00 0.00 C ATOM 225 CD LYS A 14 -11.657 10.494 2.084 1.00 0.00 C ATOM 226 CE LYS A 14 -12.861 11.436 2.177 1.00 0.00 C ATOM 227 NZ LYS A 14 -13.915 10.997 1.219 1.00 0.00 N ATOM 0 H LYS A 14 -9.588 8.181 1.217 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.247 7.022 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.455 9.790 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.249 8.264 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.074 8.881 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.411 8.348 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.082 10.532 3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.993 10.816 1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.257 11.438 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.554 12.458 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.703 11.676 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.515 10.952 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.263 10.056 1.493 1.00 0.00 H new ATOM 241 N ASP A 15 -9.988 7.826 -2.341 1.00 0.00 N ATOM 242 CA ASP A 15 -9.765 8.015 -3.791 1.00 0.00 C ATOM 243 C ASP A 15 -9.796 6.686 -4.522 1.00 0.00 C ATOM 244 O ASP A 15 -10.087 6.648 -5.701 1.00 0.00 O ATOM 245 CB ASP A 15 -8.401 8.687 -4.007 1.00 0.00 C ATOM 246 CG ASP A 15 -8.596 10.179 -4.298 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.436 10.497 -5.123 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.903 10.978 -3.690 1.00 0.00 O ATOM 0 H ASP A 15 -9.247 7.322 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.561 8.644 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.778 8.558 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.878 8.211 -4.837 1.00 0.00 H new ATOM 253 N GLY A 16 -9.446 5.593 -3.895 1.00 0.00 N ATOM 254 CA GLY A 16 -9.414 4.317 -4.651 1.00 0.00 C ATOM 255 C GLY A 16 -7.964 4.105 -5.002 1.00 0.00 C ATOM 256 O GLY A 16 -7.603 3.250 -5.785 1.00 0.00 O ATOM 0 H GLY A 16 -9.186 5.533 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.799 3.493 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.032 4.374 -5.547 1.00 0.00 H new ATOM 260 N LYS A 17 -7.130 4.880 -4.358 1.00 0.00 N ATOM 261 CA LYS A 17 -5.677 4.771 -4.550 1.00 0.00 C ATOM 262 C LYS A 17 -4.958 5.235 -3.299 1.00 0.00 C ATOM 263 O LYS A 17 -5.389 6.122 -2.588 1.00 0.00 O ATOM 264 CB LYS A 17 -5.193 5.623 -5.698 1.00 0.00 C ATOM 265 CG LYS A 17 -5.906 5.254 -7.007 1.00 0.00 C ATOM 266 CD LYS A 17 -7.102 6.187 -7.224 1.00 0.00 C ATOM 267 CE LYS A 17 -6.606 7.534 -7.761 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.590 7.498 -9.251 1.00 0.00 N ATOM 0 H LYS A 17 -7.416 5.598 -3.693 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.463 3.724 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.366 6.675 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.117 5.496 -5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.213 5.334 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.243 4.218 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.804 5.739 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.639 6.332 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.255 8.338 -7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.606 7.744 -7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.254 8.412 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.954 6.741 -9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.551 7.317 -9.604 1.00 0.00 H new ATOM 282 N LEU A 18 -3.848 4.630 -3.057 1.00 0.00 N ATOM 283 CA LEU A 18 -3.015 4.974 -1.890 1.00 0.00 C ATOM 284 C LEU A 18 -1.691 5.518 -2.335 1.00 0.00 C ATOM 285 O LEU A 18 -1.223 5.246 -3.407 1.00 0.00 O ATOM 286 CB LEU A 18 -2.747 3.756 -1.091 1.00 0.00 C ATOM 287 CG LEU A 18 -3.563 3.787 0.173 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.036 3.670 -0.125 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.110 2.629 1.030 1.00 0.00 C ATOM 0 H LEU A 18 -3.468 3.884 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.551 5.718 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.993 2.867 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.686 3.695 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.415 4.736 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.599 3.695 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.346 4.501 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.229 2.729 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.681 2.618 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.272 1.694 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.050 2.738 1.257 1.00 0.00 H new ATOM 301 N SER A 19 -1.071 6.245 -1.482 1.00 0.00 N ATOM 302 CA SER A 19 0.256 6.800 -1.786 1.00 0.00 C ATOM 303 C SER A 19 1.272 5.998 -1.004 1.00 0.00 C ATOM 304 O SER A 19 0.959 5.417 0.015 1.00 0.00 O ATOM 305 CB SER A 19 0.311 8.245 -1.325 1.00 0.00 C ATOM 306 OG SER A 19 -0.876 8.916 -1.727 1.00 0.00 O ATOM 0 H SER A 19 -1.435 6.487 -0.560 1.00 0.00 H new ATOM 0 HA SER A 19 0.459 6.754 -2.856 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.417 8.288 -0.241 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.184 8.741 -1.750 1.00 0.00 H new ATOM 0 HG SER A 19 -1.471 9.019 -0.955 1.00 0.00 H new ATOM 312 N LEU A 20 2.484 5.967 -1.447 1.00 0.00 N ATOM 313 CA LEU A 20 3.496 5.213 -0.695 1.00 0.00 C ATOM 314 C LEU A 20 3.406 5.685 0.733 1.00 0.00 C ATOM 315 O LEU A 20 3.748 5.006 1.675 1.00 0.00 O ATOM 316 CB LEU A 20 4.856 5.553 -1.283 1.00 0.00 C ATOM 317 CG LEU A 20 5.938 4.612 -0.769 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.629 5.233 0.426 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.360 3.260 -0.356 1.00 0.00 C ATOM 0 H LEU A 20 2.815 6.429 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 20 3.346 4.135 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.808 5.495 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.116 6.581 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 20 6.648 4.452 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.402 4.557 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.083 6.179 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.900 5.410 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.162 2.616 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.626 3.405 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.878 2.792 -1.215 1.00 0.00 H new ATOM 331 N ASP A 21 2.876 6.842 0.865 1.00 0.00 N ATOM 332 CA ASP A 21 2.659 7.428 2.204 1.00 0.00 C ATOM 333 C ASP A 21 1.599 6.603 2.947 1.00 0.00 C ATOM 334 O ASP A 21 1.771 6.286 4.109 1.00 0.00 O ATOM 335 CB ASP A 21 2.182 8.877 2.065 1.00 0.00 C ATOM 336 CG ASP A 21 2.386 9.614 3.390 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.787 9.205 4.371 1.00 0.00 O ATOM 338 OD2 ASP A 21 3.137 10.575 3.402 1.00 0.00 O ATOM 0 H ASP A 21 2.573 7.429 0.087 1.00 0.00 H new ATOM 0 HA ASP A 21 3.594 7.415 2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.735 9.378 1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.129 8.898 1.784 1.00 0.00 H new ATOM 343 N GLU A 22 0.492 6.250 2.317 1.00 0.00 N ATOM 344 CA GLU A 22 -0.541 5.463 3.041 1.00 0.00 C ATOM 345 C GLU A 22 -0.076 4.013 3.203 1.00 0.00 C ATOM 346 O GLU A 22 -0.211 3.424 4.252 1.00 0.00 O ATOM 347 CB GLU A 22 -1.847 5.494 2.260 1.00 0.00 C ATOM 348 CG GLU A 22 -2.522 6.855 2.432 1.00 0.00 C ATOM 349 CD GLU A 22 -1.514 7.974 2.165 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.741 8.274 3.060 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.533 8.514 1.072 1.00 0.00 O ATOM 0 H GLU A 22 0.272 6.475 1.347 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.696 5.901 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.654 5.304 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.510 4.703 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.365 6.942 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.922 6.947 3.442 1.00 0.00 H new ATOM 358 N PHE A 23 0.499 3.452 2.176 1.00 0.00 N ATOM 359 CA PHE A 23 1.005 2.065 2.254 1.00 0.00 C ATOM 360 C PHE A 23 2.227 2.050 3.174 1.00 0.00 C ATOM 361 O PHE A 23 2.546 1.046 3.770 1.00 0.00 O ATOM 362 CB PHE A 23 1.411 1.605 0.874 1.00 0.00 C ATOM 363 CG PHE A 23 2.053 0.239 0.927 1.00 0.00 C ATOM 364 CD1 PHE A 23 1.364 -0.843 1.482 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.341 0.058 0.415 1.00 0.00 C ATOM 366 CE1 PHE A 23 1.964 -2.108 1.527 1.00 0.00 C ATOM 367 CE2 PHE A 23 3.943 -1.204 0.458 1.00 0.00 C ATOM 368 CZ PHE A 23 3.256 -2.288 1.015 1.00 0.00 C ATOM 0 H PHE A 23 0.639 3.908 1.274 1.00 0.00 H new ATOM 0 HA PHE A 23 0.233 1.401 2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.536 1.575 0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.107 2.321 0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.368 -0.704 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.873 0.894 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.431 -2.944 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.938 -1.341 0.061 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.721 -3.262 1.050 1.00 0.00 H new ATOM 378 N ARG A 24 2.900 3.172 3.318 1.00 0.00 N ATOM 379 CA ARG A 24 4.074 3.231 4.237 1.00 0.00 C ATOM 380 C ARG A 24 3.551 3.393 5.659 1.00 0.00 C ATOM 381 O ARG A 24 4.106 2.881 6.605 1.00 0.00 O ATOM 382 CB ARG A 24 4.967 4.413 3.873 1.00 0.00 C ATOM 383 CG ARG A 24 6.065 4.551 4.934 1.00 0.00 C ATOM 384 CD ARG A 24 7.421 4.856 4.287 1.00 0.00 C ATOM 385 NE ARG A 24 7.964 6.150 4.815 1.00 0.00 N ATOM 386 CZ ARG A 24 7.222 7.226 4.857 1.00 0.00 C ATOM 387 NH1 ARG A 24 6.020 7.214 4.354 1.00 0.00 N ATOM 388 NH2 ARG A 24 7.697 8.324 5.381 1.00 0.00 N ATOM 0 H ARG A 24 2.683 4.045 2.837 1.00 0.00 H new ATOM 0 HA ARG A 24 4.664 2.319 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.411 4.261 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.378 5.328 3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.804 5.347 5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.134 3.630 5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.122 4.047 4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.311 4.913 3.204 1.00 0.00 H new ATOM 0 HE ARG A 24 8.928 6.192 5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.655 6.363 3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.444 8.055 4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.645 8.341 5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.120 9.164 5.415 1.00 0.00 H new ATOM 402 N GLU A 25 2.430 4.043 5.790 1.00 0.00 N ATOM 403 CA GLU A 25 1.804 4.170 7.132 1.00 0.00 C ATOM 404 C GLU A 25 1.253 2.785 7.413 1.00 0.00 C ATOM 405 O GLU A 25 1.277 2.270 8.514 1.00 0.00 O ATOM 406 CB GLU A 25 0.671 5.202 7.093 1.00 0.00 C ATOM 407 CG GLU A 25 0.322 5.629 8.519 1.00 0.00 C ATOM 408 CD GLU A 25 -0.732 6.735 8.478 1.00 0.00 C ATOM 409 OE1 GLU A 25 -1.786 6.504 7.909 1.00 0.00 O ATOM 410 OE2 GLU A 25 -0.468 7.798 9.019 1.00 0.00 O ATOM 0 H GLU A 25 1.922 4.491 5.027 1.00 0.00 H new ATOM 0 HA GLU A 25 2.505 4.505 7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.974 6.069 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.206 4.777 6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.053 4.776 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.216 5.983 9.033 1.00 0.00 H new ATOM 417 N VAL A 26 0.795 2.188 6.357 1.00 0.00 N ATOM 418 CA VAL A 26 0.247 0.810 6.366 1.00 0.00 C ATOM 419 C VAL A 26 1.380 -0.165 6.632 1.00 0.00 C ATOM 420 O VAL A 26 1.240 -1.152 7.327 1.00 0.00 O ATOM 421 CB VAL A 26 -0.242 0.578 4.937 1.00 0.00 C ATOM 422 CG1 VAL A 26 -0.056 -0.865 4.478 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.686 0.959 4.787 1.00 0.00 C ATOM 0 H VAL A 26 0.778 2.626 5.436 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.532 0.678 7.116 1.00 0.00 H new ATOM 0 HB VAL A 26 0.374 1.217 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.420 -0.972 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.002 -1.125 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.616 -1.531 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.004 0.782 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.293 0.357 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.811 2.014 5.029 1.00 0.00 H new ATOM 433 N ALA A 27 2.495 0.108 6.029 1.00 0.00 N ATOM 434 CA ALA A 27 3.662 -0.785 6.165 1.00 0.00 C ATOM 435 C ALA A 27 4.333 -0.537 7.511 1.00 0.00 C ATOM 436 O ALA A 27 4.884 -1.423 8.126 1.00 0.00 O ATOM 437 CB ALA A 27 4.646 -0.510 5.024 1.00 0.00 C ATOM 0 H ALA A 27 2.647 0.926 5.439 1.00 0.00 H new ATOM 0 HA ALA A 27 3.341 -1.826 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.509 -1.168 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.155 -0.694 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.974 0.528 5.069 1.00 0.00 H new ATOM 443 N LEU A 28 4.280 0.678 7.959 1.00 0.00 N ATOM 444 CA LEU A 28 4.905 1.027 9.262 1.00 0.00 C ATOM 445 C LEU A 28 3.940 0.670 10.388 1.00 0.00 C ATOM 446 O LEU A 28 4.348 0.335 11.483 1.00 0.00 O ATOM 447 CB LEU A 28 5.197 2.531 9.309 1.00 0.00 C ATOM 448 CG LEU A 28 6.552 2.859 8.638 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.884 1.856 7.524 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.486 4.267 8.037 1.00 0.00 C ATOM 0 H LEU A 28 3.827 1.454 7.476 1.00 0.00 H new ATOM 0 HA LEU A 28 5.837 0.473 9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.398 3.075 8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.210 2.869 10.345 1.00 0.00 H new ATOM 0 HG LEU A 28 7.332 2.800 9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.842 2.116 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.941 0.852 7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.105 1.887 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.438 4.505 7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.690 4.308 7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.284 4.991 8.827 1.00 0.00 H new ATOM 462 N ALA A 29 2.662 0.752 10.138 1.00 0.00 N ATOM 463 CA ALA A 29 1.663 0.435 11.192 1.00 0.00 C ATOM 464 C ALA A 29 1.492 -1.081 11.375 1.00 0.00 C ATOM 465 O ALA A 29 1.688 -1.613 12.448 1.00 0.00 O ATOM 466 CB ALA A 29 0.327 1.036 10.756 1.00 0.00 C ATOM 0 H ALA A 29 2.266 1.028 9.240 1.00 0.00 H new ATOM 0 HA ALA A 29 2.003 0.848 12.142 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.431 0.822 11.509 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.433 2.115 10.644 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.026 0.600 9.803 1.00 0.00 H new ATOM 472 N PHE A 30 1.084 -1.768 10.338 1.00 0.00 N ATOM 473 CA PHE A 30 0.846 -3.240 10.450 1.00 0.00 C ATOM 474 C PHE A 30 2.170 -4.011 10.445 1.00 0.00 C ATOM 475 O PHE A 30 2.399 -4.861 11.281 1.00 0.00 O ATOM 476 CB PHE A 30 -0.019 -3.695 9.264 1.00 0.00 C ATOM 477 CG PHE A 30 -1.201 -4.496 9.762 1.00 0.00 C ATOM 478 CD1 PHE A 30 -1.075 -5.875 9.969 1.00 0.00 C ATOM 479 CD2 PHE A 30 -2.421 -3.859 10.015 1.00 0.00 C ATOM 480 CE1 PHE A 30 -2.171 -6.616 10.430 1.00 0.00 C ATOM 481 CE2 PHE A 30 -3.515 -4.599 10.476 1.00 0.00 C ATOM 482 CZ PHE A 30 -3.390 -5.977 10.683 1.00 0.00 C ATOM 0 H PHE A 30 0.905 -1.372 9.415 1.00 0.00 H new ATOM 0 HA PHE A 30 0.336 -3.445 11.391 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.367 -2.827 8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.577 -4.298 8.579 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.134 -6.367 9.773 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.518 -2.795 9.854 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.075 -7.680 10.590 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.456 -4.107 10.672 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.235 -6.548 11.038 1.00 0.00 H new ATOM 492 N SER A 31 3.033 -3.731 9.507 1.00 0.00 N ATOM 493 CA SER A 31 4.335 -4.458 9.442 1.00 0.00 C ATOM 494 C SER A 31 5.475 -3.460 9.671 1.00 0.00 C ATOM 495 O SER A 31 6.224 -3.145 8.767 1.00 0.00 O ATOM 496 CB SER A 31 4.473 -5.114 8.062 1.00 0.00 C ATOM 497 OG SER A 31 4.198 -6.503 8.178 1.00 0.00 O ATOM 0 H SER A 31 2.893 -3.029 8.781 1.00 0.00 H new ATOM 0 HA SER A 31 4.377 -5.231 10.210 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.784 -4.652 7.355 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.479 -4.961 7.672 1.00 0.00 H new ATOM 0 HG SER A 31 4.283 -6.928 7.299 1.00 0.00 H new ATOM 503 N PRO A 32 5.604 -2.959 10.874 1.00 0.00 N ATOM 504 CA PRO A 32 6.664 -1.974 11.219 1.00 0.00 C ATOM 505 C PRO A 32 8.046 -2.430 10.754 1.00 0.00 C ATOM 506 O PRO A 32 8.958 -1.638 10.626 1.00 0.00 O ATOM 507 CB PRO A 32 6.607 -1.865 12.755 1.00 0.00 C ATOM 508 CG PRO A 32 5.680 -2.949 13.215 1.00 0.00 C ATOM 509 CD PRO A 32 4.768 -3.275 12.036 1.00 0.00 C ATOM 0 HA PRO A 32 6.497 -1.017 10.724 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.598 -1.989 13.191 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.243 -0.885 13.063 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.240 -3.831 13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.097 -2.621 14.076 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.462 -4.321 12.040 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.857 -2.676 12.053 1.00 0.00 H new ATOM 517 N TYR A 33 8.216 -3.701 10.509 1.00 0.00 N ATOM 518 CA TYR A 33 9.545 -4.195 10.065 1.00 0.00 C ATOM 519 C TYR A 33 9.712 -3.988 8.557 1.00 0.00 C ATOM 520 O TYR A 33 10.730 -4.338 7.993 1.00 0.00 O ATOM 521 CB TYR A 33 9.662 -5.684 10.394 1.00 0.00 C ATOM 522 CG TYR A 33 9.131 -5.932 11.786 1.00 0.00 C ATOM 523 CD1 TYR A 33 9.843 -5.464 12.898 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.929 -6.628 11.968 1.00 0.00 C ATOM 525 CE1 TYR A 33 9.352 -5.692 14.190 1.00 0.00 C ATOM 526 CE2 TYR A 33 7.440 -6.856 13.259 1.00 0.00 C ATOM 527 CZ TYR A 33 8.151 -6.387 14.370 1.00 0.00 C ATOM 528 OH TYR A 33 7.668 -6.612 15.643 1.00 0.00 O ATOM 0 H TYR A 33 7.493 -4.415 10.598 1.00 0.00 H new ATOM 0 HA TYR A 33 10.326 -3.638 10.583 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.101 -6.273 9.668 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.702 -6.002 10.327 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.770 -4.928 12.759 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.379 -6.989 11.111 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.901 -5.331 15.047 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.514 -7.394 13.398 1.00 0.00 H new ATOM 0 HH TYR A 33 6.824 -7.107 15.590 1.00 0.00 H new ATOM 538 N PHE A 34 8.742 -3.417 7.889 1.00 0.00 N ATOM 539 CA PHE A 34 8.907 -3.203 6.423 1.00 0.00 C ATOM 540 C PHE A 34 10.021 -2.212 6.213 1.00 0.00 C ATOM 541 O PHE A 34 10.007 -1.116 6.739 1.00 0.00 O ATOM 542 CB PHE A 34 7.627 -2.636 5.773 1.00 0.00 C ATOM 543 CG PHE A 34 6.892 -3.703 4.993 1.00 0.00 C ATOM 544 CD1 PHE A 34 7.558 -4.442 4.008 1.00 0.00 C ATOM 545 CD2 PHE A 34 5.540 -3.949 5.257 1.00 0.00 C ATOM 546 CE1 PHE A 34 6.873 -5.429 3.291 1.00 0.00 C ATOM 547 CE2 PHE A 34 4.855 -4.937 4.541 1.00 0.00 C ATOM 548 CZ PHE A 34 5.521 -5.677 3.559 1.00 0.00 C ATOM 0 H PHE A 34 7.860 -3.096 8.287 1.00 0.00 H new ATOM 0 HA PHE A 34 9.125 -4.166 5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.973 -2.230 6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.887 -1.811 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.601 -4.250 3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.025 -3.376 6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.387 -5.999 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.812 -5.128 4.747 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.992 -6.440 3.007 1.00 0.00 H new ATOM 558 N THR A 35 10.986 -2.582 5.443 1.00 0.00 N ATOM 559 CA THR A 35 12.092 -1.652 5.203 1.00 0.00 C ATOM 560 C THR A 35 11.649 -0.628 4.186 1.00 0.00 C ATOM 561 O THR A 35 10.940 -0.918 3.246 1.00 0.00 O ATOM 562 CB THR A 35 13.310 -2.412 4.700 1.00 0.00 C ATOM 563 OG1 THR A 35 12.973 -3.779 4.505 1.00 0.00 O ATOM 564 CG2 THR A 35 14.392 -2.292 5.753 1.00 0.00 C ATOM 0 H THR A 35 11.055 -3.484 4.972 1.00 0.00 H new ATOM 0 HA THR A 35 12.365 -1.149 6.130 1.00 0.00 H new ATOM 0 HB THR A 35 13.655 -2.003 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.758 -4.266 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.282 -2.828 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.637 -1.241 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.037 -2.721 6.690 1.00 0.00 H new ATOM 572 N GLN A 36 12.061 0.575 4.382 1.00 0.00 N ATOM 573 CA GLN A 36 11.678 1.656 3.461 1.00 0.00 C ATOM 574 C GLN A 36 12.018 1.265 2.030 1.00 0.00 C ATOM 575 O GLN A 36 11.366 1.674 1.098 1.00 0.00 O ATOM 576 CB GLN A 36 12.470 2.882 3.863 1.00 0.00 C ATOM 577 CG GLN A 36 11.908 4.124 3.169 1.00 0.00 C ATOM 578 CD GLN A 36 10.418 4.273 3.449 1.00 0.00 C ATOM 579 OE1 GLN A 36 10.028 5.015 4.327 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.562 3.603 2.727 1.00 0.00 N ATOM 0 H GLN A 36 12.659 0.862 5.157 1.00 0.00 H new ATOM 0 HA GLN A 36 10.607 1.850 3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.430 3.011 4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.519 2.750 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 36 12.438 5.011 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 36 12.075 4.052 2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.893 2.980 1.990 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.562 3.702 2.900 1.00 0.00 H new ATOM 589 N GLU A 37 13.036 0.475 1.865 1.00 0.00 N ATOM 590 CA GLU A 37 13.439 0.047 0.494 1.00 0.00 C ATOM 591 C GLU A 37 12.449 -0.998 -0.027 1.00 0.00 C ATOM 592 O GLU A 37 12.133 -1.029 -1.198 1.00 0.00 O ATOM 593 CB GLU A 37 14.845 -0.554 0.535 1.00 0.00 C ATOM 594 CG GLU A 37 15.865 0.552 0.814 1.00 0.00 C ATOM 595 CD GLU A 37 17.279 -0.027 0.743 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.428 -1.209 1.010 1.00 0.00 O ATOM 597 OE2 GLU A 37 18.188 0.720 0.420 1.00 0.00 O ATOM 0 H GLU A 37 13.611 0.104 2.621 1.00 0.00 H new ATOM 0 HA GLU A 37 13.436 0.912 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.902 -1.320 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.071 -1.041 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.753 1.356 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.687 0.985 1.798 1.00 0.00 H new ATOM 604 N ASP A 38 11.951 -1.850 0.827 1.00 0.00 N ATOM 605 CA ASP A 38 10.979 -2.880 0.362 1.00 0.00 C ATOM 606 C ASP A 38 9.634 -2.209 0.081 1.00 0.00 C ATOM 607 O ASP A 38 8.923 -2.573 -0.832 1.00 0.00 O ATOM 608 CB ASP A 38 10.803 -3.945 1.447 1.00 0.00 C ATOM 609 CG ASP A 38 12.174 -4.465 1.881 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.156 -3.803 1.592 1.00 0.00 O ATOM 611 OD2 ASP A 38 12.218 -5.519 2.493 1.00 0.00 O ATOM 0 H ASP A 38 12.174 -1.878 1.822 1.00 0.00 H new ATOM 0 HA ASP A 38 11.351 -3.352 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.275 -3.524 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.194 -4.766 1.069 1.00 0.00 H new ATOM 616 N ILE A 39 9.285 -1.227 0.863 1.00 0.00 N ATOM 617 CA ILE A 39 7.988 -0.520 0.656 1.00 0.00 C ATOM 618 C ILE A 39 8.082 0.348 -0.593 1.00 0.00 C ATOM 619 O ILE A 39 7.202 0.359 -1.420 1.00 0.00 O ATOM 620 CB ILE A 39 7.709 0.384 1.861 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.903 -0.411 3.148 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.270 0.902 1.816 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.299 0.535 4.299 1.00 0.00 C ATOM 0 H ILE A 39 9.845 -0.880 1.642 1.00 0.00 H new ATOM 0 HA ILE A 39 7.188 -1.252 0.543 1.00 0.00 H new ATOM 0 HB ILE A 39 8.398 1.228 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.984 -0.939 3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.676 -1.166 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.087 1.543 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.117 1.474 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.579 0.059 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.435 -0.042 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.230 1.043 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.512 1.274 4.450 1.00 0.00 H new ATOM 635 N VAL A 40 9.142 1.090 -0.708 1.00 0.00 N ATOM 636 CA VAL A 40 9.324 1.982 -1.875 1.00 0.00 C ATOM 637 C VAL A 40 9.728 1.183 -3.095 1.00 0.00 C ATOM 638 O VAL A 40 9.237 1.416 -4.174 1.00 0.00 O ATOM 639 CB VAL A 40 10.394 2.981 -1.536 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.957 3.716 -0.276 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.710 2.249 -1.318 1.00 0.00 C ATOM 0 H VAL A 40 9.903 1.115 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 40 8.388 2.491 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 40 10.539 3.699 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.714 4.451 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.010 4.223 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.834 3.001 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.490 2.969 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.600 1.539 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.984 1.714 -2.227 1.00 0.00 H new ATOM 651 N LYS A 41 10.594 0.222 -2.960 1.00 0.00 N ATOM 652 CA LYS A 41 10.944 -0.562 -4.161 1.00 0.00 C ATOM 653 C LYS A 41 9.647 -1.192 -4.635 1.00 0.00 C ATOM 654 O LYS A 41 9.223 -1.005 -5.755 1.00 0.00 O ATOM 655 CB LYS A 41 11.953 -1.656 -3.802 1.00 0.00 C ATOM 656 CG LYS A 41 12.284 -2.474 -5.050 1.00 0.00 C ATOM 657 CD LYS A 41 13.417 -3.453 -4.734 1.00 0.00 C ATOM 658 CE LYS A 41 13.524 -4.490 -5.853 1.00 0.00 C ATOM 659 NZ LYS A 41 14.707 -5.363 -5.610 1.00 0.00 N ATOM 0 H LYS A 41 11.061 -0.046 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 41 11.396 0.064 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.861 -1.209 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.543 -2.304 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.401 -3.019 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.578 -1.812 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.359 -2.914 -4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.228 -3.949 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.616 -5.092 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.619 -3.991 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.780 -6.068 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.569 -4.782 -5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.598 -5.849 -4.697 1.00 0.00 H new ATOM 673 N PHE A 42 9.012 -1.935 -3.774 1.00 0.00 N ATOM 674 CA PHE A 42 7.737 -2.591 -4.142 1.00 0.00 C ATOM 675 C PHE A 42 6.665 -1.546 -4.482 1.00 0.00 C ATOM 676 O PHE A 42 6.000 -1.656 -5.492 1.00 0.00 O ATOM 677 CB PHE A 42 7.274 -3.471 -2.977 1.00 0.00 C ATOM 678 CG PHE A 42 6.399 -4.573 -3.523 1.00 0.00 C ATOM 679 CD1 PHE A 42 6.974 -5.589 -4.300 1.00 0.00 C ATOM 680 CD2 PHE A 42 5.025 -4.587 -3.265 1.00 0.00 C ATOM 681 CE1 PHE A 42 6.178 -6.615 -4.816 1.00 0.00 C ATOM 682 CE2 PHE A 42 4.229 -5.616 -3.783 1.00 0.00 C ATOM 683 CZ PHE A 42 4.805 -6.629 -4.557 1.00 0.00 C ATOM 0 H PHE A 42 9.329 -2.115 -2.821 1.00 0.00 H new ATOM 0 HA PHE A 42 7.893 -3.208 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.134 -3.893 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.722 -2.876 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.035 -5.578 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.579 -3.806 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.623 -7.396 -5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.167 -5.628 -3.584 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.189 -7.422 -4.954 1.00 0.00 H new ATOM 693 N PHE A 43 6.483 -0.527 -3.676 1.00 0.00 N ATOM 694 CA PHE A 43 5.449 0.492 -4.026 1.00 0.00 C ATOM 695 C PHE A 43 5.825 1.114 -5.365 1.00 0.00 C ATOM 696 O PHE A 43 5.042 1.175 -6.292 1.00 0.00 O ATOM 697 CB PHE A 43 5.440 1.564 -2.951 1.00 0.00 C ATOM 698 CG PHE A 43 4.563 2.722 -3.360 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.012 3.654 -4.300 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.315 2.890 -2.762 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.210 4.746 -4.633 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.518 3.981 -3.099 1.00 0.00 C ATOM 703 CZ PHE A 43 2.966 4.910 -4.032 1.00 0.00 C ATOM 0 H PHE A 43 6.995 -0.360 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 43 4.462 0.035 -4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.080 1.142 -2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.456 1.916 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.978 3.529 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.965 2.172 -2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.556 5.466 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.551 4.106 -2.635 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.349 5.758 -4.290 1.00 0.00 H new ATOM 713 N GLU A 44 7.049 1.535 -5.466 1.00 0.00 N ATOM 714 CA GLU A 44 7.525 2.115 -6.749 1.00 0.00 C ATOM 715 C GLU A 44 7.257 1.074 -7.840 1.00 0.00 C ATOM 716 O GLU A 44 6.896 1.392 -8.955 1.00 0.00 O ATOM 717 CB GLU A 44 9.024 2.417 -6.668 1.00 0.00 C ATOM 718 CG GLU A 44 9.271 3.555 -5.670 1.00 0.00 C ATOM 719 CD GLU A 44 9.126 4.903 -6.381 1.00 0.00 C ATOM 720 OE1 GLU A 44 8.313 4.988 -7.288 1.00 0.00 O ATOM 721 OE2 GLU A 44 9.829 5.827 -6.007 1.00 0.00 O ATOM 0 H GLU A 44 7.741 1.504 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 44 7.007 3.049 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.568 1.525 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.402 2.695 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.561 3.489 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.269 3.465 -5.240 1.00 0.00 H new ATOM 728 N GLU A 45 7.431 -0.178 -7.502 1.00 0.00 N ATOM 729 CA GLU A 45 7.195 -1.282 -8.467 1.00 0.00 C ATOM 730 C GLU A 45 5.700 -1.547 -8.641 1.00 0.00 C ATOM 731 O GLU A 45 5.241 -1.893 -9.711 1.00 0.00 O ATOM 732 CB GLU A 45 7.823 -2.555 -7.905 1.00 0.00 C ATOM 733 CG GLU A 45 8.272 -3.453 -9.051 1.00 0.00 C ATOM 734 CD GLU A 45 7.070 -3.812 -9.926 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.284 -4.646 -9.507 1.00 0.00 O ATOM 736 OE2 GLU A 45 6.953 -3.244 -11.001 1.00 0.00 O ATOM 0 H GLU A 45 7.733 -0.483 -6.577 1.00 0.00 H new ATOM 0 HA GLU A 45 7.628 -1.002 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.674 -2.304 -7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.103 -3.081 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.030 -2.946 -9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.731 -4.360 -8.657 1.00 0.00 H new ATOM 743 N ILE A 46 4.940 -1.426 -7.587 1.00 0.00 N ATOM 744 CA ILE A 46 3.486 -1.716 -7.692 1.00 0.00 C ATOM 745 C ILE A 46 2.736 -0.482 -8.194 1.00 0.00 C ATOM 746 O ILE A 46 1.847 -0.590 -9.014 1.00 0.00 O ATOM 747 CB ILE A 46 2.952 -2.183 -6.329 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.972 -3.343 -6.543 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.235 -1.050 -5.614 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.746 -4.641 -6.806 1.00 0.00 C ATOM 0 H ILE A 46 5.263 -1.140 -6.663 1.00 0.00 H new ATOM 0 HA ILE A 46 3.325 -2.517 -8.414 1.00 0.00 H new ATOM 0 HB ILE A 46 3.793 -2.506 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.337 -3.460 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.315 -3.125 -7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.865 -1.403 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.928 -0.224 -5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.397 -0.709 -6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.043 -5.460 -6.957 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.362 -4.523 -7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.384 -4.864 -5.951 1.00 0.00 H new ATOM 762 N ASP A 47 3.102 0.693 -7.761 1.00 0.00 N ATOM 763 CA ASP A 47 2.408 1.896 -8.292 1.00 0.00 C ATOM 764 C ASP A 47 2.781 1.965 -9.763 1.00 0.00 C ATOM 765 O ASP A 47 3.703 2.653 -10.152 1.00 0.00 O ATOM 766 CB ASP A 47 2.897 3.151 -7.566 1.00 0.00 C ATOM 767 CG ASP A 47 2.248 4.384 -8.193 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.565 4.227 -9.193 1.00 0.00 O ATOM 769 OD2 ASP A 47 2.444 5.466 -7.666 1.00 0.00 O ATOM 0 H ASP A 47 3.837 0.870 -7.076 1.00 0.00 H new ATOM 0 HA ASP A 47 1.329 1.837 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.646 3.093 -6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.983 3.224 -7.633 1.00 0.00 H new ATOM 774 N VAL A 48 2.113 1.204 -10.579 1.00 0.00 N ATOM 775 CA VAL A 48 2.450 1.138 -12.037 1.00 0.00 C ATOM 776 C VAL A 48 1.914 2.313 -12.840 1.00 0.00 C ATOM 777 O VAL A 48 2.417 2.631 -13.900 1.00 0.00 O ATOM 778 CB VAL A 48 1.761 -0.100 -12.593 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.247 -0.006 -12.335 1.00 0.00 C ATOM 780 CG2 VAL A 48 2.001 -0.180 -14.102 1.00 0.00 C ATOM 0 H VAL A 48 1.332 0.611 -10.298 1.00 0.00 H new ATOM 0 HA VAL A 48 3.537 1.135 -12.121 1.00 0.00 H new ATOM 0 HB VAL A 48 2.165 -0.987 -12.104 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.246 -0.893 -12.733 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.064 0.060 -11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.151 0.882 -12.826 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.508 -1.066 -14.502 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.594 0.710 -14.583 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.072 -0.241 -14.297 1.00 0.00 H new ATOM 790 N ASP A 49 0.874 2.915 -12.392 1.00 0.00 N ATOM 791 CA ASP A 49 0.279 4.016 -13.186 1.00 0.00 C ATOM 792 C ASP A 49 1.135 5.258 -13.010 1.00 0.00 C ATOM 793 O ASP A 49 1.061 6.200 -13.774 1.00 0.00 O ATOM 794 CB ASP A 49 -1.165 4.218 -12.718 1.00 0.00 C ATOM 795 CG ASP A 49 -1.479 5.701 -12.504 1.00 0.00 C ATOM 796 OD1 ASP A 49 -1.144 6.492 -13.370 1.00 0.00 O ATOM 797 OD2 ASP A 49 -2.063 6.016 -11.482 1.00 0.00 O ATOM 0 H ASP A 49 0.403 2.701 -11.513 1.00 0.00 H new ATOM 0 HA ASP A 49 0.254 3.786 -14.251 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.850 3.802 -13.457 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.328 3.672 -11.789 1.00 0.00 H new ATOM 802 N GLY A 50 1.994 5.239 -12.040 1.00 0.00 N ATOM 803 CA GLY A 50 2.914 6.372 -11.830 1.00 0.00 C ATOM 804 C GLY A 50 2.201 7.583 -11.229 1.00 0.00 C ATOM 805 O GLY A 50 2.773 8.652 -11.135 1.00 0.00 O ATOM 0 H GLY A 50 2.097 4.473 -11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.724 6.064 -11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.367 6.653 -12.781 1.00 0.00 H new ATOM 809 N ASN A 51 0.983 7.443 -10.792 1.00 0.00 N ATOM 810 CA ASN A 51 0.301 8.611 -10.179 1.00 0.00 C ATOM 811 C ASN A 51 0.887 8.788 -8.788 1.00 0.00 C ATOM 812 O ASN A 51 0.505 9.665 -8.037 1.00 0.00 O ATOM 813 CB ASN A 51 -1.205 8.356 -10.079 1.00 0.00 C ATOM 814 CG ASN A 51 -1.464 7.096 -9.253 1.00 0.00 C ATOM 815 OD1 ASN A 51 -2.599 6.759 -8.978 1.00 0.00 O ATOM 816 ND2 ASN A 51 -0.454 6.382 -8.840 1.00 0.00 N ATOM 0 H ASN A 51 0.437 6.582 -10.832 1.00 0.00 H new ATOM 0 HA ASN A 51 0.449 9.505 -10.785 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.698 9.212 -9.618 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.631 8.242 -11.076 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.617 5.541 -8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.499 6.665 -9.071 1.00 0.00 H new ATOM 823 N GLY A 52 1.828 7.951 -8.448 1.00 0.00 N ATOM 824 CA GLY A 52 2.464 8.043 -7.113 1.00 0.00 C ATOM 825 C GLY A 52 1.540 7.426 -6.068 1.00 0.00 C ATOM 826 O GLY A 52 1.613 7.746 -4.899 1.00 0.00 O ATOM 0 H GLY A 52 2.183 7.204 -9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.423 7.524 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.667 9.085 -6.866 1.00 0.00 H new ATOM 830 N GLU A 53 0.646 6.565 -6.482 1.00 0.00 N ATOM 831 CA GLU A 53 -0.303 5.955 -5.505 1.00 0.00 C ATOM 832 C GLU A 53 -0.640 4.517 -5.896 1.00 0.00 C ATOM 833 O GLU A 53 -0.541 4.130 -7.044 1.00 0.00 O ATOM 834 CB GLU A 53 -1.597 6.791 -5.470 1.00 0.00 C ATOM 835 CG GLU A 53 -1.301 8.232 -5.898 1.00 0.00 C ATOM 836 CD GLU A 53 -2.581 9.065 -5.800 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.427 8.922 -6.668 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.695 9.832 -4.858 1.00 0.00 O ATOM 0 H GLU A 53 0.533 6.260 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 53 0.167 5.944 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.342 6.351 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.019 6.781 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.526 8.660 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.920 8.249 -6.919 1.00 0.00 H new ATOM 845 N LEU A 54 -1.045 3.722 -4.935 1.00 0.00 N ATOM 846 CA LEU A 54 -1.394 2.317 -5.230 1.00 0.00 C ATOM 847 C LEU A 54 -2.789 2.244 -5.818 1.00 0.00 C ATOM 848 O LEU A 54 -3.759 2.620 -5.201 1.00 0.00 O ATOM 849 CB LEU A 54 -1.427 1.533 -3.935 1.00 0.00 C ATOM 850 CG LEU A 54 -0.052 1.414 -3.290 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.096 1.598 -4.302 1.00 0.00 C ATOM 852 CD2 LEU A 54 0.004 2.450 -2.201 1.00 0.00 C ATOM 0 H LEU A 54 -1.146 3.997 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.657 1.915 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.111 2.017 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.822 0.536 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 54 0.085 0.410 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.053 1.503 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.023 0.835 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.025 2.586 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.974 2.405 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.137 3.440 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.784 2.256 -1.473 1.00 0.00 H new ATOM 864 N ASN A 55 -2.886 1.746 -7.000 1.00 0.00 N ATOM 865 CA ASN A 55 -4.228 1.628 -7.641 1.00 0.00 C ATOM 866 C ASN A 55 -4.942 0.388 -7.106 1.00 0.00 C ATOM 867 O ASN A 55 -4.407 -0.362 -6.314 1.00 0.00 O ATOM 868 CB ASN A 55 -4.111 1.522 -9.165 1.00 0.00 C ATOM 869 CG ASN A 55 -2.666 1.236 -9.564 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.751 1.893 -9.110 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.423 0.274 -10.408 1.00 0.00 N ATOM 0 H ASN A 55 -2.102 1.412 -7.561 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.797 2.526 -7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.761 0.728 -9.533 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.447 2.450 -9.628 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.463 0.072 -10.688 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.192 -0.277 -10.789 1.00 0.00 H new ATOM 878 N ALA A 56 -6.159 0.188 -7.531 1.00 0.00 N ATOM 879 CA ALA A 56 -6.967 -0.976 -7.051 1.00 0.00 C ATOM 880 C ALA A 56 -6.318 -2.323 -7.436 1.00 0.00 C ATOM 881 O ALA A 56 -6.009 -3.134 -6.577 1.00 0.00 O ATOM 882 CB ALA A 56 -8.376 -0.837 -7.628 1.00 0.00 C ATOM 0 H ALA A 56 -6.638 0.790 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.012 -0.972 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.990 -1.674 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.819 0.098 -7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.325 -0.836 -8.717 1.00 0.00 H new ATOM 888 N ASP A 57 -6.109 -2.602 -8.690 1.00 0.00 N ATOM 889 CA ASP A 57 -5.491 -3.918 -9.047 1.00 0.00 C ATOM 890 C ASP A 57 -4.100 -4.036 -8.405 1.00 0.00 C ATOM 891 O ASP A 57 -3.713 -5.078 -7.887 1.00 0.00 O ATOM 892 CB ASP A 57 -5.358 -4.020 -10.567 1.00 0.00 C ATOM 893 CG ASP A 57 -4.748 -5.374 -10.938 1.00 0.00 C ATOM 894 OD1 ASP A 57 -4.729 -6.246 -10.085 1.00 0.00 O ATOM 895 OD2 ASP A 57 -4.311 -5.515 -12.068 1.00 0.00 O ATOM 0 H ASP A 57 -6.333 -1.991 -9.476 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.126 -4.723 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.336 -3.909 -11.036 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.731 -3.212 -10.943 1.00 0.00 H new ATOM 900 N GLU A 58 -3.350 -2.973 -8.414 1.00 0.00 N ATOM 901 CA GLU A 58 -2.000 -3.015 -7.802 1.00 0.00 C ATOM 902 C GLU A 58 -2.172 -3.114 -6.294 1.00 0.00 C ATOM 903 O GLU A 58 -1.365 -3.696 -5.598 1.00 0.00 O ATOM 904 CB GLU A 58 -1.214 -1.752 -8.176 1.00 0.00 C ATOM 905 CG GLU A 58 -0.755 -1.841 -9.634 1.00 0.00 C ATOM 906 CD GLU A 58 0.208 -3.017 -9.816 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.263 -4.108 -10.091 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.402 -2.803 -9.686 1.00 0.00 O ATOM 0 H GLU A 58 -3.616 -2.076 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.441 -3.876 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.837 -0.869 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.351 -1.642 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.619 -1.965 -10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.265 -0.912 -9.926 1.00 0.00 H new ATOM 915 N PHE A 59 -3.238 -2.562 -5.789 1.00 0.00 N ATOM 916 CA PHE A 59 -3.498 -2.630 -4.330 1.00 0.00 C ATOM 917 C PHE A 59 -3.482 -4.089 -3.899 1.00 0.00 C ATOM 918 O PHE A 59 -2.887 -4.453 -2.907 1.00 0.00 O ATOM 919 CB PHE A 59 -4.909 -2.120 -4.056 1.00 0.00 C ATOM 920 CG PHE A 59 -4.894 -0.715 -3.570 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.146 -0.364 -2.455 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.648 0.241 -4.237 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.156 0.951 -2.020 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.658 1.541 -3.810 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.915 1.906 -2.708 1.00 0.00 C ATOM 0 H PHE A 59 -3.944 -2.063 -6.330 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.747 -2.042 -3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.504 -2.185 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.390 -2.758 -3.315 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.563 -1.108 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.232 -0.044 -5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.580 1.239 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.246 2.279 -4.335 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.918 2.933 -2.374 1.00 0.00 H new ATOM 935 N THR A 60 -4.140 -4.929 -4.648 1.00 0.00 N ATOM 936 CA THR A 60 -4.170 -6.368 -4.288 1.00 0.00 C ATOM 937 C THR A 60 -2.760 -6.916 -4.383 1.00 0.00 C ATOM 938 O THR A 60 -2.285 -7.591 -3.496 1.00 0.00 O ATOM 939 CB THR A 60 -5.096 -7.108 -5.246 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.529 -7.112 -6.548 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.442 -6.388 -5.269 1.00 0.00 C ATOM 0 H THR A 60 -4.656 -4.679 -5.491 1.00 0.00 H new ATOM 0 HA THR A 60 -4.543 -6.502 -3.272 1.00 0.00 H new ATOM 0 HB THR A 60 -5.231 -8.139 -4.918 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.646 -6.230 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.119 -6.904 -5.950 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.870 -6.384 -4.266 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.300 -5.362 -5.607 1.00 0.00 H new ATOM 949 N SER A 61 -2.074 -6.607 -5.443 1.00 0.00 N ATOM 950 CA SER A 61 -0.675 -7.091 -5.567 1.00 0.00 C ATOM 951 C SER A 61 0.190 -6.339 -4.550 1.00 0.00 C ATOM 952 O SER A 61 1.242 -6.818 -4.105 1.00 0.00 O ATOM 953 CB SER A 61 -0.161 -6.814 -6.980 1.00 0.00 C ATOM 954 OG SER A 61 1.031 -7.556 -7.200 1.00 0.00 O ATOM 0 H SER A 61 -2.417 -6.046 -6.223 1.00 0.00 H new ATOM 0 HA SER A 61 -0.631 -8.163 -5.377 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.917 -7.091 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.031 -5.749 -7.107 1.00 0.00 H new ATOM 0 HG SER A 61 1.362 -7.382 -8.106 1.00 0.00 H new ATOM 960 N CYS A 62 -0.298 -5.217 -4.075 1.00 0.00 N ATOM 961 CA CYS A 62 0.455 -4.472 -3.034 1.00 0.00 C ATOM 962 C CYS A 62 0.420 -5.320 -1.783 1.00 0.00 C ATOM 963 O CYS A 62 1.362 -5.379 -1.019 1.00 0.00 O ATOM 964 CB CYS A 62 -0.211 -3.119 -2.767 1.00 0.00 C ATOM 965 SG CYS A 62 0.965 -2.025 -1.933 1.00 0.00 S ATOM 0 H CYS A 62 -1.179 -4.793 -4.365 1.00 0.00 H new ATOM 0 HA CYS A 62 1.480 -4.282 -3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.539 -2.671 -3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.100 -3.254 -2.150 1.00 0.00 H new ATOM 0 HG CYS A 62 1.038 -2.345 -0.675 1.00 0.00 H new ATOM 971 N ILE A 63 -0.666 -6.005 -1.595 1.00 0.00 N ATOM 972 CA ILE A 63 -0.785 -6.889 -0.424 1.00 0.00 C ATOM 973 C ILE A 63 -0.213 -8.243 -0.795 1.00 0.00 C ATOM 974 O ILE A 63 0.393 -8.895 0.031 1.00 0.00 O ATOM 975 CB ILE A 63 -2.249 -7.020 -0.013 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.853 -5.623 0.141 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.341 -7.760 1.323 1.00 0.00 C ATOM 978 CD1 ILE A 63 -1.910 -4.737 0.957 1.00 0.00 C ATOM 0 H ILE A 63 -1.480 -5.987 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.236 -6.474 0.421 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.794 -7.577 -0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.024 -5.181 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.823 -5.689 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.387 -7.853 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.903 -8.753 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.799 -7.202 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.345 -3.743 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.761 -5.176 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.950 -4.660 0.446 1.00 0.00 H new ATOM 990 N GLU A 64 -0.362 -8.694 -2.024 1.00 0.00 N ATOM 991 CA GLU A 64 0.224 -10.005 -2.374 1.00 0.00 C ATOM 992 C GLU A 64 1.651 -10.020 -1.875 1.00 0.00 C ATOM 993 O GLU A 64 2.193 -11.068 -1.581 1.00 0.00 O ATOM 994 CB GLU A 64 0.207 -10.208 -3.889 1.00 0.00 C ATOM 995 CG GLU A 64 0.712 -11.613 -4.222 1.00 0.00 C ATOM 996 CD GLU A 64 0.554 -11.873 -5.720 1.00 0.00 C ATOM 997 OE1 GLU A 64 -0.370 -11.328 -6.302 1.00 0.00 O ATOM 998 OE2 GLU A 64 1.358 -12.613 -6.262 1.00 0.00 O ATOM 0 H GLU A 64 -0.856 -8.213 -2.776 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.354 -10.808 -1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.804 -10.073 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.835 -9.460 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.759 -11.712 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.153 -12.356 -3.653 1.00 0.00 H new ATOM 1005 N LYS A 65 2.262 -8.867 -1.701 1.00 0.00 N ATOM 1006 CA LYS A 65 3.632 -8.880 -1.134 1.00 0.00 C ATOM 1007 C LYS A 65 3.608 -9.793 0.101 1.00 0.00 C ATOM 1008 O LYS A 65 4.623 -10.238 0.599 1.00 0.00 O ATOM 1009 CB LYS A 65 4.011 -7.462 -0.710 1.00 0.00 C ATOM 1010 CG LYS A 65 5.477 -7.441 -0.275 1.00 0.00 C ATOM 1011 CD LYS A 65 6.210 -6.296 -0.978 1.00 0.00 C ATOM 1012 CE LYS A 65 7.535 -5.995 -0.266 1.00 0.00 C ATOM 1013 NZ LYS A 65 7.396 -4.744 0.530 1.00 0.00 N ATOM 0 H LYS A 65 1.877 -7.949 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 65 4.356 -9.239 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.855 -6.769 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.372 -7.131 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.543 -7.318 0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.951 -8.392 -0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.400 -6.561 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.583 -5.404 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.807 -6.825 0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.337 -5.887 -0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.832 -3.954 0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.388 -4.542 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.871 -4.862 1.448 1.00 0.00 H new ATOM 1027 N MET A 66 2.420 -10.080 0.561 1.00 0.00 N ATOM 1028 CA MET A 66 2.204 -10.961 1.717 1.00 0.00 C ATOM 1029 C MET A 66 0.739 -11.375 1.640 1.00 0.00 C ATOM 1030 O MET A 66 0.093 -11.189 0.628 1.00 0.00 O ATOM 1031 CB MET A 66 2.468 -10.199 3.019 1.00 0.00 C ATOM 1032 CG MET A 66 1.755 -8.845 2.973 1.00 0.00 C ATOM 1033 SD MET A 66 2.110 -7.924 4.490 1.00 0.00 S ATOM 1034 CE MET A 66 0.920 -6.586 4.227 1.00 0.00 C ATOM 0 H MET A 66 1.559 -9.716 0.154 1.00 0.00 H new ATOM 0 HA MET A 66 2.873 -11.822 1.704 1.00 0.00 H new ATOM 0 HB2 MET A 66 2.114 -10.780 3.871 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.539 -10.053 3.156 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.087 -8.277 2.104 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.680 -8.991 2.867 1.00 0.00 H new ATOM 0 HE1 MET A 66 0.969 -5.886 5.061 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.159 -6.064 3.300 1.00 0.00 H new ATOM 0 HE3 MET A 66 -0.086 -7.001 4.161 1.00 0.00 H new ATOM 1044 N LEU A 67 0.203 -11.927 2.669 1.00 0.00 N ATOM 1045 CA LEU A 67 -1.228 -12.348 2.628 1.00 0.00 C ATOM 1046 C LEU A 67 -1.453 -13.270 1.427 1.00 0.00 C ATOM 1047 CB LEU A 67 -2.123 -11.107 2.501 1.00 0.00 C ATOM 1048 CG LEU A 67 -3.503 -11.379 3.120 1.00 0.00 C ATOM 1049 CD1 LEU A 67 -4.099 -12.650 2.509 1.00 0.00 C ATOM 1050 CD2 LEU A 67 -3.375 -11.551 4.643 1.00 0.00 C ATOM 0 H LEU A 67 0.685 -12.112 3.548 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.478 -12.881 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.654 -10.259 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.235 -10.837 1.451 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.158 -10.533 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.078 -12.841 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.205 -12.521 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.440 -13.494 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.359 -11.743 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.714 -12.390 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.961 -10.641 5.078 1.00 0.00 H new TER 1062 LEU A 67