USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 637 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 65 SER OG : rot 21:sc= 1.39 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 137:sc= 1.32 (180deg=-2.21!) USER MOD Single : A 1 MET CE :methyl -116:sc= -0.974 (180deg=-1.68) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00757) USER MOD Single : A 2 ASN : amide:sc= -0.741 K(o=-0.74,f=-10!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0678 X(o=-0.068,f=-0.57) USER MOD Single : A 17 THR OG1 : rot 16:sc= 0.221 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00361 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 15:sc= -1.14 USER MOD Single : A 40 GLN : amide:sc= -1.35 K(o=-1.4,f=-6.9!) USER MOD Single : A 42 MET CE :methyl 138:sc= -1.13 (180deg=-2.99!) USER MOD Single : A 56 ASN : amide:sc= -0.103 K(o=-0.1,f=-4.8!) USER MOD Single : A 59 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -140:sc= 0.02 USER MOD Single : A 72 THR OG1 : rot 73:sc= 0.0959 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= 0.216 (180deg=-0.712!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.992 -1.582 10.832 1.00 0.00 N ATOM 2 CA MET A 1 1.393 -0.982 9.534 1.00 0.00 C ATOM 3 C MET A 1 0.609 -1.589 8.373 1.00 0.00 C ATOM 4 O MET A 1 0.106 -0.862 7.522 1.00 0.00 O ATOM 5 CB MET A 1 2.907 -1.162 9.303 1.00 0.00 C ATOM 6 CG MET A 1 3.770 -0.146 10.051 1.00 0.00 C ATOM 7 SD MET A 1 5.407 -0.780 10.474 1.00 0.00 S ATOM 8 CE MET A 1 6.115 -1.041 8.851 1.00 0.00 C ATOM 0 H1 MET A 1 1.506 -1.113 11.605 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.031 -1.457 10.971 1.00 0.00 H new ATOM 0 H3 MET A 1 1.220 -2.597 10.831 1.00 0.00 H new ATOM 0 HA MET A 1 1.163 0.083 9.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.195 -2.167 9.612 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.114 -1.085 8.236 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.881 0.748 9.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.257 0.155 10.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.307 -2.104 8.705 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.419 -0.690 8.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.051 -0.488 8.769 1.00 0.00 H new ATOM 17 N ASN A 2 0.489 -2.912 8.352 1.00 0.00 N ATOM 18 CA ASN A 2 -0.106 -3.621 7.212 1.00 0.00 C ATOM 19 C ASN A 2 -1.536 -3.155 6.914 1.00 0.00 C ATOM 20 O ASN A 2 -1.879 -2.895 5.757 1.00 0.00 O ATOM 21 CB ASN A 2 -0.049 -5.147 7.424 1.00 0.00 C ATOM 22 CG ASN A 2 -0.604 -5.618 8.761 1.00 0.00 C ATOM 23 OD1 ASN A 2 -1.571 -5.069 9.283 1.00 0.00 O ATOM 24 ND2 ASN A 2 0.029 -6.629 9.337 1.00 0.00 N ATOM 0 H ASN A 2 0.795 -3.521 9.111 1.00 0.00 H new ATOM 0 HA ASN A 2 0.492 -3.373 6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.604 -5.634 6.622 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.987 -5.475 7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.283 -6.976 10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.829 -7.061 8.874 1.00 0.00 H new ATOM 31 N ALA A 3 -2.359 -3.027 7.948 1.00 0.00 N ATOM 32 CA ALA A 3 -3.730 -2.556 7.776 1.00 0.00 C ATOM 33 C ALA A 3 -3.730 -1.088 7.359 1.00 0.00 C ATOM 34 O ALA A 3 -4.537 -0.658 6.535 1.00 0.00 O ATOM 35 CB ALA A 3 -4.529 -2.757 9.059 1.00 0.00 C ATOM 0 H ALA A 3 -2.103 -3.242 8.912 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.207 -3.139 6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.548 -2.400 8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.548 -3.817 9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.062 -2.198 9.870 1.00 0.00 H new ATOM 41 N THR A 4 -2.793 -0.340 7.927 1.00 0.00 N ATOM 42 CA THR A 4 -2.619 1.076 7.630 1.00 0.00 C ATOM 43 C THR A 4 -2.251 1.287 6.156 1.00 0.00 C ATOM 44 O THR A 4 -2.747 2.206 5.500 1.00 0.00 O ATOM 45 CB THR A 4 -1.510 1.660 8.534 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.845 1.439 9.913 1.00 0.00 O ATOM 47 CG2 THR A 4 -1.298 3.148 8.289 1.00 0.00 C ATOM 0 H THR A 4 -2.128 -0.701 8.611 1.00 0.00 H new ATOM 0 HA THR A 4 -3.561 1.589 7.824 1.00 0.00 H new ATOM 0 HB THR A 4 -0.579 1.149 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.140 1.809 10.484 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.510 3.516 8.946 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.009 3.308 7.250 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.223 3.686 8.495 1.00 0.00 H new ATOM 55 N ILE A 5 -1.396 0.408 5.645 1.00 0.00 N ATOM 56 CA ILE A 5 -0.902 0.496 4.275 1.00 0.00 C ATOM 57 C ILE A 5 -2.042 0.378 3.266 1.00 0.00 C ATOM 58 O ILE A 5 -2.120 1.156 2.320 1.00 0.00 O ATOM 59 CB ILE A 5 0.171 -0.592 4.003 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.416 -0.327 4.875 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.543 -0.635 2.519 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.399 -1.480 4.935 1.00 0.00 C ATOM 0 H ILE A 5 -1.026 -0.385 6.168 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.441 1.477 4.155 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.242 -1.565 4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.931 0.554 4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.091 -0.090 5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.296 -1.405 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.344 -0.863 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.942 0.333 2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.242 -1.206 5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.904 -2.359 5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.758 -1.705 3.931 1.00 0.00 H new ATOM 74 N ARG A 6 -2.932 -0.589 3.470 1.00 0.00 N ATOM 75 CA ARG A 6 -4.077 -0.755 2.577 1.00 0.00 C ATOM 76 C ARG A 6 -5.118 0.335 2.846 1.00 0.00 C ATOM 77 O ARG A 6 -5.859 0.735 1.950 1.00 0.00 O ATOM 78 CB ARG A 6 -4.684 -2.170 2.721 1.00 0.00 C ATOM 79 CG ARG A 6 -5.381 -2.452 4.057 1.00 0.00 C ATOM 80 CD ARG A 6 -6.871 -2.109 4.018 1.00 0.00 C ATOM 81 NE ARG A 6 -7.502 -2.238 5.333 1.00 0.00 N ATOM 82 CZ ARG A 6 -8.727 -2.731 5.542 1.00 0.00 C ATOM 83 NH1 ARG A 6 -9.460 -3.186 4.527 1.00 0.00 N ATOM 84 NH2 ARG A 6 -9.211 -2.776 6.773 1.00 0.00 N ATOM 0 H ARG A 6 -2.885 -1.262 4.235 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.738 -0.650 1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.403 -2.323 1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.890 -2.904 2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.259 -3.505 4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.898 -1.875 4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.998 -1.089 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.375 -2.766 3.309 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.970 -1.930 6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.088 -3.161 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.393 -3.560 4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.650 -2.436 7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.145 -3.151 6.940 1.00 0.00 H new ATOM 98 N GLU A 7 -5.141 0.823 4.085 1.00 0.00 N ATOM 99 CA GLU A 7 -6.113 1.828 4.518 1.00 0.00 C ATOM 100 C GLU A 7 -5.888 3.169 3.824 1.00 0.00 C ATOM 101 O GLU A 7 -6.845 3.827 3.414 1.00 0.00 O ATOM 102 CB GLU A 7 -6.032 2.013 6.040 1.00 0.00 C ATOM 103 CG GLU A 7 -6.942 3.108 6.587 1.00 0.00 C ATOM 104 CD GLU A 7 -6.779 3.304 8.085 1.00 0.00 C ATOM 105 OE1 GLU A 7 -7.386 2.535 8.861 1.00 0.00 O ATOM 106 OE2 GLU A 7 -6.035 4.216 8.497 1.00 0.00 O ATOM 0 H GLU A 7 -4.490 0.535 4.815 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.105 1.470 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.287 1.070 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.002 2.243 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.725 4.046 6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.980 2.857 6.367 1.00 0.00 H new ATOM 113 N ILE A 8 -4.625 3.573 3.690 1.00 0.00 N ATOM 114 CA ILE A 8 -4.305 4.889 3.141 1.00 0.00 C ATOM 115 C ILE A 8 -4.909 5.081 1.747 1.00 0.00 C ATOM 116 O ILE A 8 -5.271 6.196 1.372 1.00 0.00 O ATOM 117 CB ILE A 8 -2.784 5.150 3.073 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.528 6.607 2.666 1.00 0.00 C ATOM 119 CG2 ILE A 8 -2.113 4.192 2.098 1.00 0.00 C ATOM 120 CD1 ILE A 8 -1.077 6.940 2.434 1.00 0.00 C ATOM 0 H ILE A 8 -3.814 3.013 3.952 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.746 5.610 3.829 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.352 4.977 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.088 6.821 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.920 7.263 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.043 4.395 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.278 3.165 2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.537 4.329 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.985 7.988 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.512 6.761 3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.683 6.312 1.635 1.00 0.00 H new ATOM 132 N LEU A 9 -5.014 3.992 0.983 1.00 0.00 N ATOM 133 CA LEU A 9 -5.577 4.047 -0.371 1.00 0.00 C ATOM 134 C LEU A 9 -6.955 4.713 -0.363 1.00 0.00 C ATOM 135 O LEU A 9 -7.383 5.283 -1.364 1.00 0.00 O ATOM 136 CB LEU A 9 -5.666 2.640 -0.997 1.00 0.00 C ATOM 137 CG LEU A 9 -4.341 2.051 -1.524 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.743 2.943 -2.610 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.339 1.843 -0.393 1.00 0.00 C ATOM 0 H LEU A 9 -4.717 3.061 1.277 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.905 4.649 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.073 1.957 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.379 2.675 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.564 1.077 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.810 2.507 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.445 3.026 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.548 3.934 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.416 1.427 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.127 2.799 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.757 1.154 0.341 1.00 0.00 H new ATOM 151 N ALA A 10 -7.637 4.642 0.775 1.00 0.00 N ATOM 152 CA ALA A 10 -8.955 5.245 0.927 1.00 0.00 C ATOM 153 C ALA A 10 -8.877 6.776 0.926 1.00 0.00 C ATOM 154 O ALA A 10 -9.701 7.446 0.301 1.00 0.00 O ATOM 155 CB ALA A 10 -9.611 4.747 2.213 1.00 0.00 C ATOM 0 H ALA A 10 -7.295 4.169 1.611 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.564 4.945 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.596 5.202 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.715 3.663 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.991 5.020 3.067 1.00 0.00 H new ATOM 161 N LYS A 11 -7.867 7.325 1.602 1.00 0.00 N ATOM 162 CA LYS A 11 -7.785 8.775 1.826 1.00 0.00 C ATOM 163 C LYS A 11 -6.785 9.468 0.887 1.00 0.00 C ATOM 164 O LYS A 11 -6.996 10.616 0.493 1.00 0.00 O ATOM 165 CB LYS A 11 -7.444 9.059 3.300 1.00 0.00 C ATOM 166 CG LYS A 11 -6.219 8.306 3.816 1.00 0.00 C ATOM 167 CD LYS A 11 -6.001 8.517 5.316 1.00 0.00 C ATOM 168 CE LYS A 11 -5.770 9.984 5.667 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.583 10.183 7.130 1.00 0.00 N ATOM 0 H LYS A 11 -7.095 6.793 2.004 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.763 9.196 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.277 10.129 3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.304 8.798 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.337 7.241 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.335 8.638 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.869 8.147 5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.144 7.928 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.891 10.350 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.619 10.577 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.429 11.193 7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.431 9.857 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.758 9.638 7.452 1.00 0.00 H new ATOM 183 N PHE A 12 -5.705 8.780 0.529 1.00 0.00 N ATOM 184 CA PHE A 12 -4.679 9.348 -0.359 1.00 0.00 C ATOM 185 C PHE A 12 -4.655 8.642 -1.710 1.00 0.00 C ATOM 186 O PHE A 12 -4.438 9.275 -2.744 1.00 0.00 O ATOM 187 CB PHE A 12 -3.285 9.253 0.282 1.00 0.00 C ATOM 188 CG PHE A 12 -2.971 10.362 1.256 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.289 10.241 2.600 1.00 0.00 C ATOM 190 CD2 PHE A 12 -2.346 11.524 0.823 1.00 0.00 C ATOM 191 CE1 PHE A 12 -2.992 11.255 3.491 1.00 0.00 C ATOM 192 CE2 PHE A 12 -2.048 12.541 1.710 1.00 0.00 C ATOM 193 CZ PHE A 12 -2.371 12.406 3.045 1.00 0.00 C ATOM 0 H PHE A 12 -5.512 7.827 0.837 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.938 10.395 -0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.200 8.297 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.534 9.256 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.774 9.344 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.090 11.634 -0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.245 11.148 4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.563 13.440 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.139 13.199 3.740 1.00 0.00 H new ATOM 203 N GLY A 13 -4.878 7.335 -1.696 1.00 0.00 N ATOM 204 CA GLY A 13 -4.758 6.547 -2.908 1.00 0.00 C ATOM 205 C GLY A 13 -5.879 6.811 -3.892 1.00 0.00 C ATOM 206 O GLY A 13 -7.054 6.753 -3.531 1.00 0.00 O ATOM 0 H GLY A 13 -5.141 6.805 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.803 6.766 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.750 5.488 -2.649 1.00 0.00 H new ATOM 210 N GLN A 14 -5.519 7.111 -5.134 1.00 0.00 N ATOM 211 CA GLN A 14 -6.502 7.302 -6.196 1.00 0.00 C ATOM 212 C GLN A 14 -7.010 5.942 -6.686 1.00 0.00 C ATOM 213 O GLN A 14 -6.748 5.528 -7.818 1.00 0.00 O ATOM 214 CB GLN A 14 -5.890 8.108 -7.357 1.00 0.00 C ATOM 215 CG GLN A 14 -6.871 8.422 -8.487 1.00 0.00 C ATOM 216 CD GLN A 14 -8.036 9.293 -8.045 1.00 0.00 C ATOM 217 OE1 GLN A 14 -7.904 10.119 -7.140 1.00 0.00 O ATOM 218 NE2 GLN A 14 -9.179 9.128 -8.691 1.00 0.00 N ATOM 0 H GLN A 14 -4.551 7.228 -5.432 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.346 7.867 -5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.493 9.044 -6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.047 7.551 -7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.337 8.923 -9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.258 7.488 -8.893 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.249 8.434 -9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.990 9.695 -8.445 1.00 0.00 H new ATOM 227 N LEU A 15 -7.696 5.226 -5.802 1.00 0.00 N ATOM 228 CA LEU A 15 -8.280 3.938 -6.141 1.00 0.00 C ATOM 229 C LEU A 15 -9.740 4.143 -6.550 1.00 0.00 C ATOM 230 O LEU A 15 -10.522 4.707 -5.785 1.00 0.00 O ATOM 231 CB LEU A 15 -8.185 2.976 -4.943 1.00 0.00 C ATOM 232 CG LEU A 15 -8.521 1.505 -5.251 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.526 0.921 -6.247 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.543 0.670 -3.975 1.00 0.00 C ATOM 0 H LEU A 15 -7.861 5.520 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.731 3.497 -6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.174 3.024 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.857 3.329 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.516 1.477 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.782 -0.119 -6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.563 1.492 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.521 0.972 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.783 -0.364 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.565 0.712 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.297 1.065 -3.295 1.00 0.00 H new ATOM 246 N PRO A 16 -10.131 3.688 -7.757 1.00 0.00 N ATOM 247 CA PRO A 16 -11.490 3.887 -8.285 1.00 0.00 C ATOM 248 C PRO A 16 -12.488 2.889 -7.696 1.00 0.00 C ATOM 249 O PRO A 16 -13.560 2.653 -8.257 1.00 0.00 O ATOM 250 CB PRO A 16 -11.301 3.651 -9.786 1.00 0.00 C ATOM 251 CG PRO A 16 -10.205 2.642 -9.865 1.00 0.00 C ATOM 252 CD PRO A 16 -9.287 2.926 -8.700 1.00 0.00 C ATOM 0 HA PRO A 16 -11.900 4.867 -8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.216 3.282 -10.249 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.032 4.572 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.604 1.629 -9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.670 2.722 -10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.917 2.005 -8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.415 3.502 -9.010 1.00 0.00 H new ATOM 260 N THR A 17 -12.124 2.317 -6.559 1.00 0.00 N ATOM 261 CA THR A 17 -12.911 1.307 -5.895 1.00 0.00 C ATOM 262 C THR A 17 -12.667 1.381 -4.384 1.00 0.00 C ATOM 263 O THR A 17 -11.536 1.610 -3.952 1.00 0.00 O ATOM 264 CB THR A 17 -12.530 -0.083 -6.452 1.00 0.00 C ATOM 265 OG1 THR A 17 -13.181 -0.306 -7.713 1.00 0.00 O ATOM 266 CG2 THR A 17 -12.873 -1.198 -5.488 1.00 0.00 C ATOM 0 H THR A 17 -11.260 2.549 -6.070 1.00 0.00 H new ATOM 0 HA THR A 17 -13.972 1.475 -6.079 1.00 0.00 H new ATOM 0 HB THR A 17 -11.449 -0.092 -6.592 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.519 0.545 -8.062 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.587 -2.156 -5.923 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.334 -1.049 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.945 -1.194 -5.293 1.00 0.00 H new ATOM 274 N PRO A 18 -13.724 1.218 -3.562 1.00 0.00 N ATOM 275 CA PRO A 18 -13.608 1.303 -2.101 1.00 0.00 C ATOM 276 C PRO A 18 -12.678 0.229 -1.536 1.00 0.00 C ATOM 277 O PRO A 18 -12.808 -0.955 -1.854 1.00 0.00 O ATOM 278 CB PRO A 18 -15.050 1.107 -1.602 1.00 0.00 C ATOM 279 CG PRO A 18 -15.769 0.450 -2.732 1.00 0.00 C ATOM 280 CD PRO A 18 -15.106 0.941 -3.991 1.00 0.00 C ATOM 0 HA PRO A 18 -13.173 2.249 -1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.076 0.487 -0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.510 2.061 -1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.705 -0.635 -2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.828 0.708 -2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.139 0.191 -4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.593 1.835 -4.380 1.00 0.00 H new ATOM 288 N VAL A 19 -11.753 0.655 -0.681 1.00 0.00 N ATOM 289 CA VAL A 19 -10.752 -0.235 -0.092 1.00 0.00 C ATOM 290 C VAL A 19 -11.412 -1.354 0.725 1.00 0.00 C ATOM 291 O VAL A 19 -10.795 -2.384 1.002 1.00 0.00 O ATOM 292 CB VAL A 19 -9.765 0.566 0.797 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.707 -0.345 1.418 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.109 1.686 -0.014 1.00 0.00 C ATOM 0 H VAL A 19 -11.674 1.625 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.196 -0.695 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.333 1.012 1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.032 0.249 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.194 -1.099 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.139 -0.835 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.419 2.240 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.563 1.256 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.878 2.361 -0.390 1.00 0.00 H new ATOM 304 N ASP A 20 -12.675 -1.147 1.082 1.00 0.00 N ATOM 305 CA ASP A 20 -13.462 -2.137 1.822 1.00 0.00 C ATOM 306 C ASP A 20 -13.455 -3.503 1.132 1.00 0.00 C ATOM 307 O ASP A 20 -13.468 -4.540 1.794 1.00 0.00 O ATOM 308 CB ASP A 20 -14.908 -1.639 1.972 1.00 0.00 C ATOM 309 CG ASP A 20 -15.865 -2.713 2.474 1.00 0.00 C ATOM 310 OD1 ASP A 20 -15.878 -2.986 3.692 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.621 -3.278 1.649 1.00 0.00 O ATOM 0 H ASP A 20 -13.185 -0.290 0.868 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.005 -2.260 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.925 -0.795 2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.260 -1.270 1.009 1.00 0.00 H new ATOM 316 N THR A 21 -13.422 -3.502 -0.198 1.00 0.00 N ATOM 317 CA THR A 21 -13.540 -4.740 -0.964 1.00 0.00 C ATOM 318 C THR A 21 -12.204 -5.491 -1.043 1.00 0.00 C ATOM 319 O THR A 21 -12.180 -6.697 -1.302 1.00 0.00 O ATOM 320 CB THR A 21 -14.076 -4.466 -2.393 1.00 0.00 C ATOM 321 OG1 THR A 21 -14.465 -5.695 -3.026 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.033 -3.763 -3.255 1.00 0.00 C ATOM 0 H THR A 21 -13.315 -2.662 -0.766 1.00 0.00 H new ATOM 0 HA THR A 21 -14.254 -5.371 -0.435 1.00 0.00 H new ATOM 0 HB THR A 21 -14.943 -3.813 -2.296 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.803 -5.507 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.442 -3.586 -4.250 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.766 -2.810 -2.798 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.144 -4.389 -3.334 1.00 0.00 H new ATOM 330 N ILE A 22 -11.095 -4.791 -0.809 1.00 0.00 N ATOM 331 CA ILE A 22 -9.768 -5.403 -0.924 1.00 0.00 C ATOM 332 C ILE A 22 -9.155 -5.659 0.450 1.00 0.00 C ATOM 333 O ILE A 22 -9.600 -5.109 1.460 1.00 0.00 O ATOM 334 CB ILE A 22 -8.793 -4.543 -1.772 1.00 0.00 C ATOM 335 CG1 ILE A 22 -8.682 -3.120 -1.202 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.237 -4.519 -3.234 1.00 0.00 C ATOM 337 CD1 ILE A 22 -7.692 -2.239 -1.940 1.00 0.00 C ATOM 0 H ILE A 22 -11.086 -3.807 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.915 -6.354 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.803 -4.996 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.665 -2.649 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.389 -3.181 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.543 -3.912 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.248 -5.535 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.238 -4.093 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.670 -1.251 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.699 -2.686 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.995 -2.146 -2.983 1.00 0.00 H new ATOM 349 N ALA A 23 -8.116 -6.485 0.466 1.00 0.00 N ATOM 350 CA ALA A 23 -7.464 -6.905 1.698 1.00 0.00 C ATOM 351 C ALA A 23 -6.014 -7.288 1.423 1.00 0.00 C ATOM 352 O ALA A 23 -5.551 -7.215 0.286 1.00 0.00 O ATOM 353 CB ALA A 23 -8.217 -8.079 2.316 1.00 0.00 C ATOM 0 H ALA A 23 -7.702 -6.883 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.475 -6.074 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.721 -8.385 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.241 -7.778 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.228 -8.914 1.615 1.00 0.00 H new ATOM 359 N ASP A 24 -5.311 -7.719 2.464 1.00 0.00 N ATOM 360 CA ASP A 24 -3.903 -8.099 2.352 1.00 0.00 C ATOM 361 C ASP A 24 -3.755 -9.419 1.596 1.00 0.00 C ATOM 362 O ASP A 24 -2.717 -9.689 0.979 1.00 0.00 O ATOM 363 CB ASP A 24 -3.271 -8.210 3.748 1.00 0.00 C ATOM 364 CG ASP A 24 -3.896 -9.305 4.603 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.140 -9.435 4.602 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.149 -10.021 5.295 1.00 0.00 O ATOM 0 H ASP A 24 -5.695 -7.815 3.404 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.382 -7.324 1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.204 -8.405 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.371 -7.254 4.262 1.00 0.00 H new ATOM 371 N GLU A 25 -4.800 -10.237 1.654 1.00 0.00 N ATOM 372 CA GLU A 25 -4.839 -11.510 0.939 1.00 0.00 C ATOM 373 C GLU A 25 -5.467 -11.349 -0.447 1.00 0.00 C ATOM 374 O GLU A 25 -5.696 -12.337 -1.149 1.00 0.00 O ATOM 375 CB GLU A 25 -5.621 -12.552 1.753 1.00 0.00 C ATOM 376 CG GLU A 25 -4.968 -12.913 3.085 1.00 0.00 C ATOM 377 CD GLU A 25 -3.568 -13.497 2.932 1.00 0.00 C ATOM 378 OE1 GLU A 25 -3.255 -14.053 1.855 1.00 0.00 O ATOM 379 OE2 GLU A 25 -2.773 -13.408 3.887 1.00 0.00 O ATOM 0 H GLU A 25 -5.641 -10.039 2.195 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.813 -11.853 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.625 -12.172 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.731 -13.457 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.916 -12.021 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.599 -13.632 3.608 1.00 0.00 H new ATOM 386 N ALA A 26 -5.734 -10.108 -0.841 1.00 0.00 N ATOM 387 CA ALA A 26 -6.332 -9.823 -2.143 1.00 0.00 C ATOM 388 C ALA A 26 -5.377 -9.010 -3.010 1.00 0.00 C ATOM 389 O ALA A 26 -4.513 -8.300 -2.494 1.00 0.00 O ATOM 390 CB ALA A 26 -7.659 -9.091 -1.971 1.00 0.00 C ATOM 0 H ALA A 26 -5.545 -9.280 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.524 -10.770 -2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.091 -8.886 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.345 -9.712 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.491 -8.151 -1.445 1.00 0.00 H new ATOM 396 N ASP A 27 -5.539 -9.124 -4.324 1.00 0.00 N ATOM 397 CA ASP A 27 -4.717 -8.384 -5.276 1.00 0.00 C ATOM 398 C ASP A 27 -5.325 -7.004 -5.531 1.00 0.00 C ATOM 399 O ASP A 27 -6.344 -6.869 -6.205 1.00 0.00 O ATOM 400 CB ASP A 27 -4.545 -9.176 -6.589 1.00 0.00 C ATOM 401 CG ASP A 27 -5.856 -9.620 -7.229 1.00 0.00 C ATOM 402 OD1 ASP A 27 -6.638 -10.332 -6.562 1.00 0.00 O ATOM 403 OD2 ASP A 27 -6.088 -9.301 -8.413 1.00 0.00 O ATOM 0 H ASP A 27 -6.238 -9.727 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.724 -8.246 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.996 -8.561 -7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.934 -10.057 -6.391 1.00 0.00 H new ATOM 408 N LEU A 28 -4.680 -5.981 -4.974 1.00 0.00 N ATOM 409 CA LEU A 28 -5.201 -4.611 -4.995 1.00 0.00 C ATOM 410 C LEU A 28 -5.382 -4.082 -6.420 1.00 0.00 C ATOM 411 O LEU A 28 -6.239 -3.230 -6.664 1.00 0.00 O ATOM 412 CB LEU A 28 -4.284 -3.662 -4.200 1.00 0.00 C ATOM 413 CG LEU A 28 -4.275 -3.853 -2.668 1.00 0.00 C ATOM 414 CD1 LEU A 28 -3.616 -5.173 -2.273 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.578 -2.675 -1.987 1.00 0.00 C ATOM 0 H LEU A 28 -3.784 -6.075 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.183 -4.643 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.265 -3.782 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.582 -2.636 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.310 -3.888 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.627 -5.275 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.164 -6.002 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.586 -5.186 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.580 -2.825 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.550 -2.606 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.106 -1.752 -2.226 1.00 0.00 H new ATOM 427 N TYR A 29 -4.582 -4.579 -7.361 1.00 0.00 N ATOM 428 CA TYR A 29 -4.670 -4.115 -8.746 1.00 0.00 C ATOM 429 C TYR A 29 -6.012 -4.506 -9.371 1.00 0.00 C ATOM 430 O TYR A 29 -6.447 -3.895 -10.347 1.00 0.00 O ATOM 431 CB TYR A 29 -3.481 -4.605 -9.593 1.00 0.00 C ATOM 432 CG TYR A 29 -3.232 -6.105 -9.573 1.00 0.00 C ATOM 433 CD1 TYR A 29 -3.912 -6.960 -10.434 1.00 0.00 C ATOM 434 CD2 TYR A 29 -2.286 -6.658 -8.715 1.00 0.00 C ATOM 435 CE1 TYR A 29 -3.663 -8.319 -10.433 1.00 0.00 C ATOM 436 CE2 TYR A 29 -2.036 -8.018 -8.707 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.725 -8.844 -9.571 1.00 0.00 C ATOM 438 OH TYR A 29 -2.473 -10.199 -9.573 1.00 0.00 O ATOM 0 H TYR A 29 -3.874 -5.294 -7.195 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.616 -3.026 -8.732 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.642 -4.296 -10.626 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.579 -4.101 -9.246 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.647 -6.555 -11.114 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.738 -6.014 -8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.202 -8.968 -11.106 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.305 -8.431 -8.028 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.784 -10.405 -8.907 1.00 0.00 H new ATOM 448 N ALA A 30 -6.669 -5.510 -8.791 1.00 0.00 N ATOM 449 CA ALA A 30 -8.009 -5.909 -9.222 1.00 0.00 C ATOM 450 C ALA A 30 -9.024 -4.803 -8.929 1.00 0.00 C ATOM 451 O ALA A 30 -10.037 -4.676 -9.617 1.00 0.00 O ATOM 452 CB ALA A 30 -8.423 -7.206 -8.536 1.00 0.00 C ATOM 0 H ALA A 30 -6.294 -6.063 -8.020 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.987 -6.076 -10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.422 -7.490 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.717 -7.996 -8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.426 -7.061 -7.456 1.00 0.00 H new ATOM 458 N ALA A 31 -8.736 -4.001 -7.904 1.00 0.00 N ATOM 459 CA ALA A 31 -9.598 -2.881 -7.525 1.00 0.00 C ATOM 460 C ALA A 31 -9.310 -1.657 -8.390 1.00 0.00 C ATOM 461 O ALA A 31 -10.031 -0.660 -8.341 1.00 0.00 O ATOM 462 CB ALA A 31 -9.410 -2.543 -6.053 1.00 0.00 C ATOM 0 H ALA A 31 -7.908 -4.107 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.634 -3.178 -7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.058 -1.708 -5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.667 -3.410 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.371 -2.268 -5.873 1.00 0.00 H new ATOM 468 N GLY A 32 -8.242 -1.739 -9.169 1.00 0.00 N ATOM 469 CA GLY A 32 -7.881 -0.660 -10.072 1.00 0.00 C ATOM 470 C GLY A 32 -6.706 0.149 -9.560 1.00 0.00 C ATOM 471 O GLY A 32 -6.598 1.347 -9.836 1.00 0.00 O ATOM 0 H GLY A 32 -7.612 -2.541 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.636 -1.074 -11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.739 -0.003 -10.211 1.00 0.00 H new ATOM 475 N LEU A 33 -5.835 -0.506 -8.793 1.00 0.00 N ATOM 476 CA LEU A 33 -4.636 0.138 -8.267 1.00 0.00 C ATOM 477 C LEU A 33 -3.734 0.583 -9.414 1.00 0.00 C ATOM 478 O LEU A 33 -3.179 -0.246 -10.139 1.00 0.00 O ATOM 479 CB LEU A 33 -3.876 -0.818 -7.333 1.00 0.00 C ATOM 480 CG LEU A 33 -2.614 -0.235 -6.670 1.00 0.00 C ATOM 481 CD1 LEU A 33 -2.972 0.934 -5.755 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.860 -1.317 -5.897 1.00 0.00 C ATOM 0 H LEU A 33 -5.939 -1.484 -8.523 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.936 1.015 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.557 -1.149 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.590 -1.703 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.960 0.139 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.065 1.329 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.456 1.718 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.651 0.591 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.972 -0.883 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.507 -1.728 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.563 -2.112 -6.581 1.00 0.00 H new ATOM 494 N SER A 34 -3.632 1.891 -9.596 1.00 0.00 N ATOM 495 CA SER A 34 -2.780 2.470 -10.623 1.00 0.00 C ATOM 496 C SER A 34 -1.496 3.000 -9.999 1.00 0.00 C ATOM 497 O SER A 34 -1.421 3.179 -8.777 1.00 0.00 O ATOM 498 CB SER A 34 -3.530 3.602 -11.333 1.00 0.00 C ATOM 499 OG SER A 34 -4.029 4.548 -10.396 1.00 0.00 O ATOM 0 H SER A 34 -4.136 2.579 -9.037 1.00 0.00 H new ATOM 0 HA SER A 34 -2.521 1.701 -11.351 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.863 4.099 -12.037 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.355 3.189 -11.913 1.00 0.00 H new ATOM 0 HG SER A 34 -4.502 5.262 -10.872 1.00 0.00 H new ATOM 505 N SER A 35 -0.496 3.260 -10.835 1.00 0.00 N ATOM 506 CA SER A 35 0.765 3.826 -10.372 1.00 0.00 C ATOM 507 C SER A 35 0.512 5.188 -9.720 1.00 0.00 C ATOM 508 O SER A 35 1.270 5.630 -8.852 1.00 0.00 O ATOM 509 CB SER A 35 1.754 3.952 -11.540 1.00 0.00 C ATOM 510 OG SER A 35 3.067 4.238 -11.082 1.00 0.00 O ATOM 0 H SER A 35 -0.535 3.087 -11.839 1.00 0.00 H new ATOM 0 HA SER A 35 1.205 3.161 -9.629 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.761 3.025 -12.113 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.423 4.741 -12.215 1.00 0.00 H new ATOM 0 HG SER A 35 3.673 4.310 -11.849 1.00 0.00 H new ATOM 516 N PHE A 36 -0.575 5.841 -10.139 1.00 0.00 N ATOM 517 CA PHE A 36 -0.995 7.105 -9.543 1.00 0.00 C ATOM 518 C PHE A 36 -1.456 6.874 -8.106 1.00 0.00 C ATOM 519 O PHE A 36 -1.090 7.614 -7.192 1.00 0.00 O ATOM 520 CB PHE A 36 -2.135 7.733 -10.356 1.00 0.00 C ATOM 521 CG PHE A 36 -1.806 7.943 -11.812 1.00 0.00 C ATOM 522 CD1 PHE A 36 -1.027 9.019 -12.214 1.00 0.00 C ATOM 523 CD2 PHE A 36 -2.279 7.067 -12.779 1.00 0.00 C ATOM 524 CE1 PHE A 36 -0.727 9.214 -13.548 1.00 0.00 C ATOM 525 CE2 PHE A 36 -1.982 7.260 -14.113 1.00 0.00 C ATOM 526 CZ PHE A 36 -1.205 8.334 -14.499 1.00 0.00 C ATOM 0 H PHE A 36 -1.180 5.511 -10.891 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.145 7.788 -9.546 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.015 7.095 -10.281 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.399 8.693 -9.912 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.651 9.712 -11.475 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.887 6.224 -12.484 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.119 10.055 -13.847 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.357 6.571 -14.855 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.971 8.486 -15.542 1.00 0.00 H new ATOM 536 N ALA A 37 -2.254 5.829 -7.914 1.00 0.00 N ATOM 537 CA ALA A 37 -2.777 5.493 -6.597 1.00 0.00 C ATOM 538 C ALA A 37 -1.654 5.063 -5.657 1.00 0.00 C ATOM 539 O ALA A 37 -1.642 5.426 -4.477 1.00 0.00 O ATOM 540 CB ALA A 37 -3.830 4.396 -6.708 1.00 0.00 C ATOM 0 H ALA A 37 -2.553 5.198 -8.658 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.245 6.384 -6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.211 4.156 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.650 4.741 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.383 3.506 -7.150 1.00 0.00 H new ATOM 546 N SER A 38 -0.703 4.305 -6.193 1.00 0.00 N ATOM 547 CA SER A 38 0.391 3.765 -5.397 1.00 0.00 C ATOM 548 C SER A 38 1.374 4.860 -4.971 1.00 0.00 C ATOM 549 O SER A 38 1.888 4.829 -3.853 1.00 0.00 O ATOM 550 CB SER A 38 1.109 2.657 -6.176 1.00 0.00 C ATOM 551 OG SER A 38 1.440 3.088 -7.481 1.00 0.00 O ATOM 0 H SER A 38 -0.669 4.050 -7.180 1.00 0.00 H new ATOM 0 HA SER A 38 -0.030 3.340 -4.486 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.015 2.363 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.471 1.775 -6.231 1.00 0.00 H new ATOM 0 HG SER A 38 1.354 4.063 -7.535 1.00 0.00 H new ATOM 557 N VAL A 39 1.629 5.835 -5.846 1.00 0.00 N ATOM 558 CA VAL A 39 2.563 6.911 -5.510 1.00 0.00 C ATOM 559 C VAL A 39 1.978 7.818 -4.426 1.00 0.00 C ATOM 560 O VAL A 39 2.696 8.273 -3.532 1.00 0.00 O ATOM 561 CB VAL A 39 2.981 7.756 -6.745 1.00 0.00 C ATOM 562 CG1 VAL A 39 1.792 8.499 -7.349 1.00 0.00 C ATOM 563 CG2 VAL A 39 4.102 8.727 -6.378 1.00 0.00 C ATOM 0 H VAL A 39 1.212 5.902 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 39 3.464 6.429 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 39 3.354 7.069 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.124 9.079 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.036 7.780 -7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.365 9.170 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.381 9.310 -7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.759 9.398 -5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.968 8.167 -6.025 1.00 0.00 H new ATOM 573 N GLN A 40 0.670 8.062 -4.493 1.00 0.00 N ATOM 574 CA GLN A 40 -0.011 8.841 -3.460 1.00 0.00 C ATOM 575 C GLN A 40 0.042 8.084 -2.137 1.00 0.00 C ATOM 576 O GLN A 40 0.186 8.674 -1.063 1.00 0.00 O ATOM 577 CB GLN A 40 -1.472 9.117 -3.851 1.00 0.00 C ATOM 578 CG GLN A 40 -1.648 9.902 -5.152 1.00 0.00 C ATOM 579 CD GLN A 40 -1.163 11.345 -5.067 1.00 0.00 C ATOM 580 OE1 GLN A 40 -0.226 11.666 -4.335 1.00 0.00 O ATOM 581 NE2 GLN A 40 -1.812 12.229 -5.811 1.00 0.00 N ATOM 0 H GLN A 40 0.065 7.734 -5.246 1.00 0.00 H new ATOM 0 HA GLN A 40 0.497 9.800 -3.355 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.995 8.165 -3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.952 9.668 -3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.107 9.393 -5.949 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.702 9.898 -5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.584 11.927 -6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.540 13.212 -5.789 1.00 0.00 H new ATOM 590 N LEU A 41 -0.071 6.765 -2.245 1.00 0.00 N ATOM 591 CA LEU A 41 0.076 5.862 -1.110 1.00 0.00 C ATOM 592 C LEU A 41 1.420 6.098 -0.413 1.00 0.00 C ATOM 593 O LEU A 41 1.482 6.188 0.812 1.00 0.00 O ATOM 594 CB LEU A 41 -0.068 4.401 -1.609 1.00 0.00 C ATOM 595 CG LEU A 41 0.913 3.356 -1.035 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.599 3.041 0.422 1.00 0.00 C ATOM 597 CD2 LEU A 41 0.890 2.079 -1.873 1.00 0.00 C ATOM 0 H LEU A 41 -0.268 6.290 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.704 6.055 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.082 4.068 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.038 4.403 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 41 1.915 3.784 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.308 2.302 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.677 3.952 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.413 2.644 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.588 1.355 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.116 1.659 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.181 2.311 -2.897 1.00 0.00 H new ATOM 609 N MET A 42 2.483 6.231 -1.204 1.00 0.00 N ATOM 610 CA MET A 42 3.830 6.442 -0.668 1.00 0.00 C ATOM 611 C MET A 42 3.880 7.714 0.174 1.00 0.00 C ATOM 612 O MET A 42 4.253 7.690 1.350 1.00 0.00 O ATOM 613 CB MET A 42 4.855 6.569 -1.806 1.00 0.00 C ATOM 614 CG MET A 42 4.757 5.480 -2.857 1.00 0.00 C ATOM 615 SD MET A 42 5.029 3.831 -2.185 1.00 0.00 S ATOM 616 CE MET A 42 4.837 2.843 -3.665 1.00 0.00 C ATOM 0 H MET A 42 2.439 6.196 -2.222 1.00 0.00 H new ATOM 0 HA MET A 42 4.075 5.580 -0.048 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.726 7.537 -2.289 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.858 6.557 -1.379 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.772 5.519 -3.323 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.489 5.672 -3.642 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.603 2.068 -3.687 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.851 2.378 -3.667 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.940 3.480 -4.544 1.00 0.00 H new ATOM 626 N LEU A 43 3.482 8.820 -0.452 1.00 0.00 N ATOM 627 CA LEU A 43 3.590 10.148 0.147 1.00 0.00 C ATOM 628 C LEU A 43 2.922 10.200 1.519 1.00 0.00 C ATOM 629 O LEU A 43 3.488 10.741 2.473 1.00 0.00 O ATOM 630 CB LEU A 43 2.963 11.197 -0.784 1.00 0.00 C ATOM 631 CG LEU A 43 3.594 11.291 -2.185 1.00 0.00 C ATOM 632 CD1 LEU A 43 2.858 12.316 -3.045 1.00 0.00 C ATOM 633 CD2 LEU A 43 5.082 11.629 -2.091 1.00 0.00 C ATOM 0 H LEU A 43 3.076 8.820 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 43 4.649 10.369 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.902 10.973 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.034 12.173 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 43 3.499 10.316 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.322 12.365 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.814 12.021 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.912 13.295 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.505 11.690 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.206 12.587 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.597 10.852 -1.526 1.00 0.00 H new ATOM 645 N GLY A 44 1.722 9.635 1.610 1.00 0.00 N ATOM 646 CA GLY A 44 0.972 9.674 2.853 1.00 0.00 C ATOM 647 C GLY A 44 1.464 8.655 3.866 1.00 0.00 C ATOM 648 O GLY A 44 1.533 8.940 5.060 1.00 0.00 O ATOM 0 H GLY A 44 1.255 9.150 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.043 10.673 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.082 9.492 2.643 1.00 0.00 H new ATOM 652 N ILE A 45 1.809 7.462 3.389 1.00 0.00 N ATOM 653 CA ILE A 45 2.226 6.372 4.269 1.00 0.00 C ATOM 654 C ILE A 45 3.539 6.704 4.974 1.00 0.00 C ATOM 655 O ILE A 45 3.768 6.269 6.107 1.00 0.00 O ATOM 656 CB ILE A 45 2.316 5.014 3.499 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.029 4.189 3.721 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.559 4.206 3.878 1.00 0.00 C ATOM 659 CD1 ILE A 45 0.753 3.845 5.171 1.00 0.00 C ATOM 0 H ILE A 45 1.808 7.225 2.397 1.00 0.00 H new ATOM 0 HA ILE A 45 1.460 6.257 5.036 1.00 0.00 H new ATOM 0 HB ILE A 45 2.410 5.246 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.181 4.746 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.100 3.265 3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.572 3.273 3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.453 4.783 3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.538 3.985 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.168 3.266 5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.581 3.259 5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.647 4.763 5.749 1.00 0.00 H new ATOM 671 N GLU A 46 4.383 7.497 4.316 1.00 0.00 N ATOM 672 CA GLU A 46 5.638 7.932 4.917 1.00 0.00 C ATOM 673 C GLU A 46 5.364 8.689 6.216 1.00 0.00 C ATOM 674 O GLU A 46 5.834 8.303 7.284 1.00 0.00 O ATOM 675 CB GLU A 46 6.420 8.825 3.944 1.00 0.00 C ATOM 676 CG GLU A 46 7.755 9.311 4.501 1.00 0.00 C ATOM 677 CD GLU A 46 8.437 10.327 3.603 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.091 11.523 3.687 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.321 9.942 2.810 1.00 0.00 O ATOM 0 H GLU A 46 4.220 7.848 3.372 1.00 0.00 H new ATOM 0 HA GLU A 46 6.239 7.050 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.600 8.273 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.808 9.689 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.593 9.754 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.417 8.456 4.642 1.00 0.00 H new ATOM 686 N GLU A 47 4.556 9.740 6.124 1.00 0.00 N ATOM 687 CA GLU A 47 4.217 10.546 7.292 1.00 0.00 C ATOM 688 C GLU A 47 3.347 9.744 8.259 1.00 0.00 C ATOM 689 O GLU A 47 3.391 9.960 9.473 1.00 0.00 O ATOM 690 CB GLU A 47 3.518 11.854 6.879 1.00 0.00 C ATOM 691 CG GLU A 47 2.236 11.661 6.075 1.00 0.00 C ATOM 692 CD GLU A 47 1.577 12.977 5.689 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.964 13.562 4.656 1.00 0.00 O ATOM 694 OE2 GLU A 47 0.675 13.440 6.423 1.00 0.00 O ATOM 0 H GLU A 47 4.124 10.053 5.255 1.00 0.00 H new ATOM 0 HA GLU A 47 5.143 10.812 7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.286 12.426 7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.214 12.453 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.461 11.094 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.533 11.066 6.658 1.00 0.00 H new ATOM 701 N ALA A 48 2.563 8.816 7.707 1.00 0.00 N ATOM 702 CA ALA A 48 1.624 8.018 8.492 1.00 0.00 C ATOM 703 C ALA A 48 2.312 7.275 9.641 1.00 0.00 C ATOM 704 O ALA A 48 1.847 7.344 10.780 1.00 0.00 O ATOM 705 CB ALA A 48 0.882 7.033 7.595 1.00 0.00 C ATOM 0 H ALA A 48 2.562 8.599 6.710 1.00 0.00 H new ATOM 0 HA ALA A 48 0.908 8.710 8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.187 6.447 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.329 7.581 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.599 6.366 7.116 1.00 0.00 H new ATOM 711 N PHE A 49 3.412 6.559 9.362 1.00 0.00 N ATOM 712 CA PHE A 49 4.107 5.833 10.434 1.00 0.00 C ATOM 713 C PHE A 49 5.612 6.126 10.491 1.00 0.00 C ATOM 714 O PHE A 49 6.177 6.174 11.587 1.00 0.00 O ATOM 715 CB PHE A 49 3.852 4.314 10.340 1.00 0.00 C ATOM 716 CG PHE A 49 4.411 3.631 9.112 1.00 0.00 C ATOM 717 CD1 PHE A 49 5.731 3.199 9.081 1.00 0.00 C ATOM 718 CD2 PHE A 49 3.613 3.399 8.000 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.242 2.558 7.971 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.121 2.753 6.889 1.00 0.00 C ATOM 721 CZ PHE A 49 5.437 2.334 6.873 1.00 0.00 C ATOM 0 H PHE A 49 3.828 6.468 8.435 1.00 0.00 H new ATOM 0 HA PHE A 49 3.683 6.204 11.367 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.277 3.837 11.224 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.776 4.142 10.371 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.366 3.367 9.938 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.584 3.727 8.003 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.272 2.232 7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.488 2.576 6.032 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.835 1.832 6.003 1.00 0.00 H new ATOM 731 N ASP A 50 6.260 6.354 9.339 1.00 0.00 N ATOM 732 CA ASP A 50 7.718 6.567 9.323 1.00 0.00 C ATOM 733 C ASP A 50 8.256 6.826 7.907 1.00 0.00 C ATOM 734 O ASP A 50 8.595 7.964 7.570 1.00 0.00 O ATOM 735 CB ASP A 50 8.443 5.364 9.951 1.00 0.00 C ATOM 736 CG ASP A 50 9.936 5.591 10.118 1.00 0.00 C ATOM 737 OD1 ASP A 50 10.330 6.588 10.762 1.00 0.00 O ATOM 738 OD2 ASP A 50 10.727 4.763 9.633 1.00 0.00 O ATOM 0 H ASP A 50 5.811 6.396 8.424 1.00 0.00 H new ATOM 0 HA ASP A 50 7.916 7.460 9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.003 5.149 10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.282 4.484 9.328 1.00 0.00 H new ATOM 743 N ILE A 51 8.329 5.777 7.077 1.00 0.00 N ATOM 744 CA ILE A 51 8.894 5.901 5.722 1.00 0.00 C ATOM 745 C ILE A 51 7.956 5.317 4.666 1.00 0.00 C ATOM 746 O ILE A 51 6.968 4.654 4.990 1.00 0.00 O ATOM 747 CB ILE A 51 10.294 5.221 5.573 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.204 3.675 5.563 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.254 5.699 6.660 1.00 0.00 C ATOM 750 CD1 ILE A 51 9.619 3.056 6.818 1.00 0.00 C ATOM 0 H ILE A 51 8.007 4.839 7.315 1.00 0.00 H new ATOM 0 HA ILE A 51 9.015 6.973 5.563 1.00 0.00 H new ATOM 0 HB ILE A 51 10.688 5.524 4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.600 3.367 4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.204 3.269 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.220 5.210 6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.381 6.779 6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.847 5.449 7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.598 1.971 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.233 3.326 7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.604 3.425 6.967 1.00 0.00 H new ATOM 762 N GLU A 52 8.281 5.576 3.399 1.00 0.00 N ATOM 763 CA GLU A 52 7.515 5.055 2.267 1.00 0.00 C ATOM 764 C GLU A 52 8.265 3.908 1.586 1.00 0.00 C ATOM 765 O GLU A 52 9.433 3.649 1.887 1.00 0.00 O ATOM 766 CB GLU A 52 7.163 6.176 1.266 1.00 0.00 C ATOM 767 CG GLU A 52 8.267 7.203 1.016 1.00 0.00 C ATOM 768 CD GLU A 52 9.502 6.628 0.339 1.00 0.00 C ATOM 769 OE1 GLU A 52 9.463 6.407 -0.888 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.519 6.401 1.031 1.00 0.00 O ATOM 0 H GLU A 52 9.079 6.151 3.129 1.00 0.00 H new ATOM 0 HA GLU A 52 6.575 4.657 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.894 5.718 0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.279 6.700 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.868 8.008 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.560 7.646 1.968 1.00 0.00 H new ATOM 777 N PHE A 53 7.572 3.214 0.688 1.00 0.00 N ATOM 778 CA PHE A 53 8.101 2.014 0.043 1.00 0.00 C ATOM 779 C PHE A 53 9.255 2.332 -0.915 1.00 0.00 C ATOM 780 O PHE A 53 9.086 3.091 -1.872 1.00 0.00 O ATOM 781 CB PHE A 53 6.977 1.289 -0.705 1.00 0.00 C ATOM 782 CG PHE A 53 5.881 0.803 0.207 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.157 -0.127 1.201 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.582 1.274 0.079 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.163 -0.574 2.047 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.584 0.826 0.923 1.00 0.00 C ATOM 787 CZ PHE A 53 3.876 -0.097 1.907 1.00 0.00 C ATOM 0 H PHE A 53 6.631 3.466 0.387 1.00 0.00 H new ATOM 0 HA PHE A 53 8.500 1.368 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.551 1.961 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.396 0.440 -1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.162 -0.505 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.349 1.998 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.392 -1.296 2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.576 1.198 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.096 -0.446 2.568 1.00 0.00 H new ATOM 797 N PRO A 54 10.447 1.748 -0.666 1.00 0.00 N ATOM 798 CA PRO A 54 11.624 1.944 -1.523 1.00 0.00 C ATOM 799 C PRO A 54 11.527 1.168 -2.841 1.00 0.00 C ATOM 800 O PRO A 54 10.786 0.185 -2.946 1.00 0.00 O ATOM 801 CB PRO A 54 12.768 1.407 -0.655 1.00 0.00 C ATOM 802 CG PRO A 54 12.131 0.348 0.172 1.00 0.00 C ATOM 803 CD PRO A 54 10.749 0.862 0.483 1.00 0.00 C ATOM 0 HA PRO A 54 11.748 2.983 -1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.576 1.004 -1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.199 2.192 -0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.086 -0.598 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.698 0.168 1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.027 0.050 0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.725 1.406 1.427 1.00 0.00 H new ATOM 811 N ASP A 55 12.300 1.608 -3.834 1.00 0.00 N ATOM 812 CA ASP A 55 12.290 1.013 -5.176 1.00 0.00 C ATOM 813 C ASP A 55 12.508 -0.496 -5.129 1.00 0.00 C ATOM 814 O ASP A 55 11.914 -1.239 -5.911 1.00 0.00 O ATOM 815 CB ASP A 55 13.377 1.648 -6.050 1.00 0.00 C ATOM 816 CG ASP A 55 13.192 3.142 -6.224 1.00 0.00 C ATOM 817 OD1 ASP A 55 13.572 3.899 -5.307 1.00 0.00 O ATOM 818 OD2 ASP A 55 12.663 3.566 -7.274 1.00 0.00 O ATOM 0 H ASP A 55 12.951 2.386 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 55 11.307 1.207 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.353 1.457 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.375 1.170 -7.029 1.00 0.00 H new ATOM 823 N ASN A 56 13.351 -0.934 -4.196 1.00 0.00 N ATOM 824 CA ASN A 56 13.741 -2.342 -4.082 1.00 0.00 C ATOM 825 C ASN A 56 12.523 -3.266 -4.029 1.00 0.00 C ATOM 826 O ASN A 56 12.574 -4.399 -4.513 1.00 0.00 O ATOM 827 CB ASN A 56 14.616 -2.563 -2.836 1.00 0.00 C ATOM 828 CG ASN A 56 15.886 -1.721 -2.838 1.00 0.00 C ATOM 829 OD1 ASN A 56 15.904 -0.600 -3.349 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.957 -2.259 -2.270 1.00 0.00 N ATOM 0 H ASN A 56 13.783 -0.327 -3.499 1.00 0.00 H new ATOM 0 HA ASN A 56 14.316 -2.590 -4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.034 -2.329 -1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.887 -3.617 -2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.836 -1.741 -2.246 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.902 -3.190 -1.857 1.00 0.00 H new ATOM 837 N LEU A 57 11.428 -2.781 -3.446 1.00 0.00 N ATOM 838 CA LEU A 57 10.203 -3.574 -3.336 1.00 0.00 C ATOM 839 C LEU A 57 9.067 -2.938 -4.138 1.00 0.00 C ATOM 840 O LEU A 57 7.990 -3.520 -4.269 1.00 0.00 O ATOM 841 CB LEU A 57 9.812 -3.752 -1.853 1.00 0.00 C ATOM 842 CG LEU A 57 9.520 -2.460 -1.054 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.139 -1.899 -1.390 1.00 0.00 C ATOM 844 CD2 LEU A 57 9.639 -2.711 0.448 1.00 0.00 C ATOM 0 H LEU A 57 11.363 -1.846 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 57 10.389 -4.561 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.928 -4.388 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.617 -4.289 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 57 10.266 -1.720 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.964 -0.991 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.090 -1.667 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.376 -2.638 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.429 -1.788 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.924 -3.477 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.649 -3.047 0.682 1.00 0.00 H new ATOM 856 N LEU A 58 9.312 -1.737 -4.663 1.00 0.00 N ATOM 857 CA LEU A 58 8.299 -1.005 -5.420 1.00 0.00 C ATOM 858 C LEU A 58 7.996 -1.752 -6.720 1.00 0.00 C ATOM 859 O LEU A 58 6.877 -2.218 -6.940 1.00 0.00 O ATOM 860 CB LEU A 58 8.781 0.433 -5.702 1.00 0.00 C ATOM 861 CG LEU A 58 7.682 1.498 -5.912 1.00 0.00 C ATOM 862 CD1 LEU A 58 8.300 2.888 -6.049 1.00 0.00 C ATOM 863 CD2 LEU A 58 6.814 1.182 -7.129 1.00 0.00 C ATOM 0 H LEU A 58 10.205 -1.251 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 58 7.381 -0.940 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.411 0.751 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.412 0.414 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 58 7.039 1.482 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.510 3.624 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.857 3.129 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.975 2.903 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.053 1.954 -7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.437 1.152 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.332 0.214 -6.990 1.00 0.00 H new ATOM 875 N ASN A 59 9.005 -1.877 -7.573 1.00 0.00 N ATOM 876 CA ASN A 59 8.866 -2.632 -8.814 1.00 0.00 C ATOM 877 C ASN A 59 9.025 -4.120 -8.509 1.00 0.00 C ATOM 878 O ASN A 59 10.073 -4.717 -8.775 1.00 0.00 O ATOM 879 CB ASN A 59 9.903 -2.166 -9.851 1.00 0.00 C ATOM 880 CG ASN A 59 9.704 -2.806 -11.219 1.00 0.00 C ATOM 881 OD1 ASN A 59 8.981 -2.276 -12.067 1.00 0.00 O ATOM 882 ND2 ASN A 59 10.343 -3.944 -11.445 1.00 0.00 N ATOM 0 H ASN A 59 9.928 -1.466 -7.429 1.00 0.00 H new ATOM 0 HA ASN A 59 7.878 -2.458 -9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.847 -1.082 -9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.903 -2.401 -9.488 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.246 -4.413 -12.346 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.932 -4.351 -10.719 1.00 0.00 H new ATOM 889 N ARG A 60 7.993 -4.697 -7.897 1.00 0.00 N ATOM 890 CA ARG A 60 8.047 -6.076 -7.420 1.00 0.00 C ATOM 891 C ARG A 60 6.633 -6.609 -7.164 1.00 0.00 C ATOM 892 O ARG A 60 5.677 -5.838 -7.055 1.00 0.00 O ATOM 893 CB ARG A 60 8.885 -6.132 -6.127 1.00 0.00 C ATOM 894 CG ARG A 60 9.267 -7.538 -5.663 1.00 0.00 C ATOM 895 CD ARG A 60 10.190 -8.236 -6.658 1.00 0.00 C ATOM 896 NE ARG A 60 10.696 -9.505 -6.133 1.00 0.00 N ATOM 897 CZ ARG A 60 11.340 -10.422 -6.859 1.00 0.00 C ATOM 898 NH1 ARG A 60 11.524 -10.246 -8.164 1.00 0.00 N ATOM 899 NH2 ARG A 60 11.798 -11.518 -6.267 1.00 0.00 N ATOM 0 H ARG A 60 7.105 -4.227 -7.719 1.00 0.00 H new ATOM 0 HA ARG A 60 8.513 -6.703 -8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.798 -5.556 -6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.327 -5.642 -5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.759 -7.478 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.364 -8.133 -5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.651 -8.417 -7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.028 -7.582 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 60 10.546 -9.703 -5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.172 -9.404 -8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.017 -10.953 -8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.657 -11.654 -5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.291 -12.224 -6.813 1.00 0.00 H new ATOM 913 N LYS A 61 6.517 -7.932 -7.064 1.00 0.00 N ATOM 914 CA LYS A 61 5.242 -8.610 -6.793 1.00 0.00 C ATOM 915 C LYS A 61 4.657 -8.235 -5.423 1.00 0.00 C ATOM 916 O LYS A 61 3.526 -8.601 -5.109 1.00 0.00 O ATOM 917 CB LYS A 61 5.447 -10.131 -6.855 1.00 0.00 C ATOM 918 CG LYS A 61 6.484 -10.645 -5.854 1.00 0.00 C ATOM 919 CD LYS A 61 6.669 -12.159 -5.937 1.00 0.00 C ATOM 920 CE LYS A 61 5.414 -12.918 -5.514 1.00 0.00 C ATOM 921 NZ LYS A 61 5.589 -14.389 -5.652 1.00 0.00 N ATOM 0 H LYS A 61 7.306 -8.570 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 61 4.533 -8.285 -7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.495 -10.627 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.757 -10.408 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.439 -10.154 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.177 -10.374 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.932 -12.436 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.503 -12.457 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.173 -12.675 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.570 -12.593 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.717 -14.872 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.794 -14.623 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.379 -14.702 -5.052 1.00 0.00 H new ATOM 935 N SER A 62 5.441 -7.524 -4.619 1.00 0.00 N ATOM 936 CA SER A 62 5.088 -7.190 -3.239 1.00 0.00 C ATOM 937 C SER A 62 3.654 -6.647 -3.096 1.00 0.00 C ATOM 938 O SER A 62 2.901 -7.090 -2.226 1.00 0.00 O ATOM 939 CB SER A 62 6.097 -6.166 -2.715 1.00 0.00 C ATOM 940 OG SER A 62 7.422 -6.594 -2.987 1.00 0.00 O ATOM 0 H SER A 62 6.349 -7.159 -4.908 1.00 0.00 H new ATOM 0 HA SER A 62 5.123 -8.108 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.918 -5.197 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.964 -6.032 -1.641 1.00 0.00 H new ATOM 0 HG SER A 62 7.996 -6.389 -2.220 1.00 0.00 H new ATOM 946 N PHE A 63 3.279 -5.701 -3.956 1.00 0.00 N ATOM 947 CA PHE A 63 1.958 -5.056 -3.876 1.00 0.00 C ATOM 948 C PHE A 63 0.808 -6.041 -4.108 1.00 0.00 C ATOM 949 O PHE A 63 -0.346 -5.736 -3.801 1.00 0.00 O ATOM 950 CB PHE A 63 1.863 -3.896 -4.874 1.00 0.00 C ATOM 951 CG PHE A 63 2.749 -2.732 -4.518 1.00 0.00 C ATOM 952 CD1 PHE A 63 2.357 -1.821 -3.546 1.00 0.00 C ATOM 953 CD2 PHE A 63 3.972 -2.550 -5.144 1.00 0.00 C ATOM 954 CE1 PHE A 63 3.166 -0.754 -3.209 1.00 0.00 C ATOM 955 CE2 PHE A 63 4.783 -1.485 -4.809 1.00 0.00 C ATOM 956 CZ PHE A 63 4.380 -0.587 -3.842 1.00 0.00 C ATOM 0 H PHE A 63 3.867 -5.361 -4.717 1.00 0.00 H new ATOM 0 HA PHE A 63 1.858 -4.672 -2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.130 -4.257 -5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.829 -3.554 -4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.408 -1.949 -3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.294 -3.249 -5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.849 -0.052 -2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.734 -1.354 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.015 0.247 -3.581 1.00 0.00 H new ATOM 966 N ALA A 64 1.120 -7.219 -4.639 1.00 0.00 N ATOM 967 CA ALA A 64 0.105 -8.245 -4.878 1.00 0.00 C ATOM 968 C ALA A 64 -0.312 -8.918 -3.570 1.00 0.00 C ATOM 969 O ALA A 64 -1.257 -9.709 -3.537 1.00 0.00 O ATOM 970 CB ALA A 64 0.620 -9.281 -5.871 1.00 0.00 C ATOM 0 H ALA A 64 2.065 -7.489 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.774 -7.761 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.147 -10.037 -6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.860 -8.792 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.516 -9.755 -5.470 1.00 0.00 H new ATOM 976 N SER A 65 0.411 -8.612 -2.497 1.00 0.00 N ATOM 977 CA SER A 65 0.119 -9.160 -1.178 1.00 0.00 C ATOM 978 C SER A 65 0.647 -8.241 -0.075 1.00 0.00 C ATOM 979 O SER A 65 1.846 -8.211 0.205 1.00 0.00 O ATOM 980 CB SER A 65 0.719 -10.566 -1.047 1.00 0.00 C ATOM 981 OG SER A 65 -0.073 -11.521 -1.739 1.00 0.00 O ATOM 0 H SER A 65 1.212 -7.980 -2.517 1.00 0.00 H new ATOM 0 HA SER A 65 -0.963 -9.230 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.734 -10.572 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.789 -10.840 0.006 1.00 0.00 H new ATOM 0 HG SER A 65 -0.625 -11.065 -2.408 1.00 0.00 H new ATOM 987 N ILE A 66 -0.267 -7.502 0.554 1.00 0.00 N ATOM 988 CA ILE A 66 0.094 -6.526 1.583 1.00 0.00 C ATOM 989 C ILE A 66 0.888 -7.166 2.726 1.00 0.00 C ATOM 990 O ILE A 66 1.902 -6.622 3.154 1.00 0.00 O ATOM 991 CB ILE A 66 -1.158 -5.813 2.154 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.840 -4.958 1.069 1.00 0.00 C ATOM 993 CG2 ILE A 66 -0.796 -4.962 3.371 1.00 0.00 C ATOM 994 CD1 ILE A 66 -0.965 -3.850 0.514 1.00 0.00 C ATOM 0 H ILE A 66 -1.268 -7.561 0.368 1.00 0.00 H new ATOM 0 HA ILE A 66 0.729 -5.786 1.096 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.864 -6.577 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.148 -5.608 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.746 -4.517 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.692 -4.473 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.372 -5.599 4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.065 -4.207 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.518 -3.295 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.677 -3.175 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.070 -4.283 0.066 1.00 0.00 H new ATOM 1006 N LYS A 67 0.432 -8.319 3.214 1.00 0.00 N ATOM 1007 CA LYS A 67 1.112 -8.998 4.325 1.00 0.00 C ATOM 1008 C LYS A 67 2.570 -9.320 3.968 1.00 0.00 C ATOM 1009 O LYS A 67 3.427 -9.409 4.844 1.00 0.00 O ATOM 1010 CB LYS A 67 0.373 -10.280 4.758 1.00 0.00 C ATOM 1011 CG LYS A 67 0.440 -11.428 3.754 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.602 -11.303 2.646 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.396 -12.365 1.577 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.474 -12.351 0.553 1.00 0.00 N ATOM 0 H LYS A 67 -0.396 -8.801 2.865 1.00 0.00 H new ATOM 0 HA LYS A 67 1.103 -8.308 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.790 -10.620 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.674 -10.035 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.435 -11.459 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.295 -12.373 4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.601 -11.399 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.541 -10.312 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.566 -12.206 1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.357 -13.348 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.055 -12.456 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.131 -13.137 0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.991 -11.450 0.605 1.00 0.00 H new ATOM 1028 N ALA A 68 2.844 -9.496 2.677 1.00 0.00 N ATOM 1029 CA ALA A 68 4.196 -9.802 2.217 1.00 0.00 C ATOM 1030 C ALA A 68 5.056 -8.538 2.198 1.00 0.00 C ATOM 1031 O ALA A 68 6.176 -8.525 2.714 1.00 0.00 O ATOM 1032 CB ALA A 68 4.154 -10.443 0.833 1.00 0.00 C ATOM 0 H ALA A 68 2.149 -9.432 1.933 1.00 0.00 H new ATOM 0 HA ALA A 68 4.646 -10.511 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.169 -10.665 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.577 -11.366 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.686 -9.756 0.128 1.00 0.00 H new ATOM 1038 N ILE A 69 4.515 -7.473 1.610 1.00 0.00 N ATOM 1039 CA ILE A 69 5.244 -6.213 1.477 1.00 0.00 C ATOM 1040 C ILE A 69 5.442 -5.544 2.840 1.00 0.00 C ATOM 1041 O ILE A 69 6.457 -4.883 3.074 1.00 0.00 O ATOM 1042 CB ILE A 69 4.528 -5.235 0.501 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.383 -3.980 0.255 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.150 -4.846 1.026 1.00 0.00 C ATOM 1045 CD1 ILE A 69 4.759 -3.002 -0.723 1.00 0.00 C ATOM 0 H ILE A 69 3.574 -7.457 1.218 1.00 0.00 H new ATOM 0 HA ILE A 69 6.222 -6.453 1.060 1.00 0.00 H new ATOM 0 HB ILE A 69 4.397 -5.753 -0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.551 -3.473 1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.360 -4.284 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.673 -4.162 0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.536 -5.740 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.254 -4.357 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.417 -2.142 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.616 -3.492 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.795 -2.668 -0.339 1.00 0.00 H new ATOM 1057 N GLU A 70 4.480 -5.732 3.747 1.00 0.00 N ATOM 1058 CA GLU A 70 4.542 -5.103 5.063 1.00 0.00 C ATOM 1059 C GLU A 70 5.721 -5.650 5.859 1.00 0.00 C ATOM 1060 O GLU A 70 6.362 -4.923 6.613 1.00 0.00 O ATOM 1061 CB GLU A 70 3.217 -5.278 5.830 1.00 0.00 C ATOM 1062 CG GLU A 70 2.913 -6.702 6.302 1.00 0.00 C ATOM 1063 CD GLU A 70 3.346 -6.975 7.739 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.913 -6.230 8.646 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.102 -7.939 7.973 1.00 0.00 O ATOM 0 H GLU A 70 3.655 -6.312 3.593 1.00 0.00 H new ATOM 0 HA GLU A 70 4.695 -4.033 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.231 -4.621 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.400 -4.943 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.842 -6.884 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.413 -7.410 5.640 1.00 0.00 H new ATOM 1072 N ASP A 71 6.024 -6.929 5.668 1.00 0.00 N ATOM 1073 CA ASP A 71 7.177 -7.539 6.320 1.00 0.00 C ATOM 1074 C ASP A 71 8.464 -6.924 5.773 1.00 0.00 C ATOM 1075 O ASP A 71 9.424 -6.684 6.513 1.00 0.00 O ATOM 1076 CB ASP A 71 7.184 -9.061 6.113 1.00 0.00 C ATOM 1077 CG ASP A 71 8.286 -9.750 6.907 1.00 0.00 C ATOM 1078 OD1 ASP A 71 9.424 -9.861 6.398 1.00 0.00 O ATOM 1079 OD2 ASP A 71 8.024 -10.179 8.052 1.00 0.00 O ATOM 0 H ASP A 71 5.491 -7.561 5.070 1.00 0.00 H new ATOM 0 HA ASP A 71 7.113 -7.345 7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.218 -9.470 6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.312 -9.280 5.053 1.00 0.00 H new ATOM 1084 N THR A 72 8.459 -6.640 4.473 1.00 0.00 N ATOM 1085 CA THR A 72 9.623 -6.079 3.802 1.00 0.00 C ATOM 1086 C THR A 72 9.863 -4.627 4.227 1.00 0.00 C ATOM 1087 O THR A 72 11.005 -4.174 4.294 1.00 0.00 O ATOM 1088 CB THR A 72 9.477 -6.162 2.267 1.00 0.00 C ATOM 1089 OG1 THR A 72 9.074 -7.490 1.896 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.794 -5.819 1.573 1.00 0.00 C ATOM 0 H THR A 72 7.656 -6.791 3.863 1.00 0.00 H new ATOM 0 HA THR A 72 10.486 -6.674 4.101 1.00 0.00 H new ATOM 0 HB THR A 72 8.722 -5.441 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.133 -7.625 2.134 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.664 -5.885 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.094 -4.806 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.565 -6.521 1.889 1.00 0.00 H new ATOM 1098 N VAL A 73 8.794 -3.885 4.512 1.00 0.00 N ATOM 1099 CA VAL A 73 8.952 -2.530 5.036 1.00 0.00 C ATOM 1100 C VAL A 73 9.354 -2.580 6.515 1.00 0.00 C ATOM 1101 O VAL A 73 10.052 -1.695 7.008 1.00 0.00 O ATOM 1102 CB VAL A 73 7.686 -1.648 4.829 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.484 -2.202 5.577 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.958 -0.197 5.233 1.00 0.00 C ATOM 0 H VAL A 73 7.828 -4.191 4.392 1.00 0.00 H new ATOM 0 HA VAL A 73 9.749 -2.055 4.464 1.00 0.00 H new ATOM 0 HB VAL A 73 7.446 -1.668 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.621 -1.558 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.263 -3.207 5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.705 -2.239 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.058 0.398 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.242 -0.159 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.768 0.205 4.624 1.00 0.00 H new ATOM 1114 N LYS A 74 8.931 -3.638 7.214 1.00 0.00 N ATOM 1115 CA LYS A 74 9.298 -3.832 8.620 1.00 0.00 C ATOM 1116 C LYS A 74 10.809 -4.019 8.786 1.00 0.00 C ATOM 1117 O LYS A 74 11.406 -3.484 9.724 1.00 0.00 O ATOM 1118 CB LYS A 74 8.552 -5.035 9.221 1.00 0.00 C ATOM 1119 CG LYS A 74 7.077 -4.769 9.514 1.00 0.00 C ATOM 1120 CD LYS A 74 6.350 -6.026 9.988 1.00 0.00 C ATOM 1121 CE LYS A 74 6.960 -6.602 11.263 1.00 0.00 C ATOM 1122 NZ LYS A 74 6.243 -7.823 11.719 1.00 0.00 N ATOM 0 H LYS A 74 8.335 -4.372 6.830 1.00 0.00 H new ATOM 0 HA LYS A 74 9.005 -2.930 9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.629 -5.877 8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.048 -5.332 10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.993 -3.993 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.592 -4.387 8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.300 -5.791 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.381 -6.779 9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.009 -6.841 11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.932 -5.849 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.688 -8.183 12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.248 -7.590 11.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.291 -8.551 10.978 1.00 0.00 H new ATOM 1136 N LEU A 75 11.431 -4.780 7.882 1.00 0.00 N ATOM 1137 CA LEU A 75 12.873 -5.021 7.964 1.00 0.00 C ATOM 1138 C LEU A 75 13.644 -3.712 7.787 1.00 0.00 C ATOM 1139 O LEU A 75 14.750 -3.561 8.306 1.00 0.00 O ATOM 1140 CB LEU A 75 13.339 -6.114 6.975 1.00 0.00 C ATOM 1141 CG LEU A 75 13.108 -5.863 5.469 1.00 0.00 C ATOM 1142 CD1 LEU A 75 14.140 -4.894 4.890 1.00 0.00 C ATOM 1143 CD2 LEU A 75 13.123 -7.182 4.696 1.00 0.00 C ATOM 0 H LEU A 75 10.966 -5.234 7.096 1.00 0.00 H new ATOM 0 HA LEU A 75 13.093 -5.406 8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.406 -6.273 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.837 -7.044 7.241 1.00 0.00 H new ATOM 0 HG LEU A 75 12.126 -5.402 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.943 -4.744 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.074 -3.938 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 75 15.140 -5.308 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.959 -6.985 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.088 -7.670 4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.333 -7.832 5.071 1.00 0.00 H new ATOM 1155 N ILE A 76 13.054 -2.772 7.044 1.00 0.00 N ATOM 1156 CA ILE A 76 13.622 -1.431 6.910 1.00 0.00 C ATOM 1157 C ILE A 76 13.816 -0.817 8.296 1.00 0.00 C ATOM 1158 O ILE A 76 14.910 -0.375 8.642 1.00 0.00 O ATOM 1159 CB ILE A 76 12.717 -0.493 6.064 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.469 -1.081 4.661 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.336 0.903 5.958 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.518 -0.259 3.815 1.00 0.00 C ATOM 0 H ILE A 76 12.186 -2.915 6.528 1.00 0.00 H new ATOM 0 HA ILE A 76 14.578 -1.531 6.396 1.00 0.00 H new ATOM 0 HB ILE A 76 11.756 -0.408 6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.422 -1.168 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.069 -2.090 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.687 1.544 5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.449 1.328 6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.314 0.832 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.392 -0.735 2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.551 -0.193 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.925 0.743 3.679 1.00 0.00 H new ATOM 1174 N LEU A 77 12.746 -0.832 9.093 1.00 0.00 N ATOM 1175 CA LEU A 77 12.775 -0.295 10.458 1.00 0.00 C ATOM 1176 C LEU A 77 13.883 -0.950 11.281 1.00 0.00 C ATOM 1177 O LEU A 77 14.461 -0.323 12.172 1.00 0.00 O ATOM 1178 CB LEU A 77 11.420 -0.505 11.162 1.00 0.00 C ATOM 1179 CG LEU A 77 10.292 0.472 10.778 1.00 0.00 C ATOM 1180 CD1 LEU A 77 10.676 1.906 11.129 1.00 0.00 C ATOM 1181 CD2 LEU A 77 9.938 0.354 9.299 1.00 0.00 C ATOM 0 H LEU A 77 11.841 -1.213 8.815 1.00 0.00 H new ATOM 0 HA LEU A 77 12.974 0.774 10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.080 -1.519 10.953 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.580 -0.437 12.238 1.00 0.00 H new ATOM 0 HG LEU A 77 9.407 0.203 11.355 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.865 2.579 10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.857 1.982 12.201 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.581 2.183 10.588 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.139 1.056 9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.816 0.583 8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.605 -0.662 9.084 1.00 0.00 H new ATOM 1193 N ASP A 78 14.178 -2.209 10.971 1.00 0.00 N ATOM 1194 CA ASP A 78 15.167 -2.984 11.720 1.00 0.00 C ATOM 1195 C ASP A 78 16.560 -2.361 11.611 1.00 0.00 C ATOM 1196 O ASP A 78 17.368 -2.465 12.538 1.00 0.00 O ATOM 1197 CB ASP A 78 15.195 -4.434 11.220 1.00 0.00 C ATOM 1198 CG ASP A 78 16.122 -5.320 12.037 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.742 -5.707 13.160 1.00 0.00 O ATOM 1200 OD2 ASP A 78 17.228 -5.644 11.559 1.00 0.00 O ATOM 0 H ASP A 78 13.744 -2.719 10.201 1.00 0.00 H new ATOM 0 HA ASP A 78 14.875 -2.975 12.770 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.186 -4.844 11.252 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.512 -4.448 10.177 1.00 0.00 H new ATOM 1205 N GLY A 79 16.830 -1.703 10.483 1.00 0.00 N ATOM 1206 CA GLY A 79 18.133 -1.093 10.266 1.00 0.00 C ATOM 1207 C GLY A 79 18.094 0.019 9.232 1.00 0.00 C ATOM 1208 O GLY A 79 18.857 0.000 8.265 1.00 0.00 O ATOM 0 H GLY A 79 16.169 -1.582 9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.504 -0.693 11.210 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.839 -1.858 9.944 1.00 0.00 H new ATOM 1212 N LYS A 80 17.210 0.994 9.444 1.00 0.00 N ATOM 1213 CA LYS A 80 17.069 2.137 8.535 1.00 0.00 C ATOM 1214 C LYS A 80 18.412 2.813 8.277 1.00 0.00 C ATOM 1215 O LYS A 80 18.854 2.943 7.133 1.00 0.00 O ATOM 1216 CB LYS A 80 16.099 3.160 9.113 1.00 0.00 C ATOM 1217 CG LYS A 80 14.680 2.641 9.251 1.00 0.00 C ATOM 1218 CD LYS A 80 13.697 3.782 9.395 1.00 0.00 C ATOM 1219 CE LYS A 80 13.938 4.585 10.669 1.00 0.00 C ATOM 1220 NZ LYS A 80 12.983 5.714 10.809 1.00 0.00 N ATOM 0 H LYS A 80 16.576 1.017 10.242 1.00 0.00 H new ATOM 0 HA LYS A 80 16.682 1.755 7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.458 3.476 10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.093 4.044 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.422 2.042 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.612 1.986 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.777 4.441 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.681 3.387 9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.849 3.927 11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.957 4.972 10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.490 6.614 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.244 5.636 10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.545 5.684 11.752 1.00 0.00 H new ATOM 1234 N GLU A 81 19.060 3.228 9.359 1.00 0.00 N ATOM 1235 CA GLU A 81 20.330 3.947 9.285 1.00 0.00 C ATOM 1236 C GLU A 81 21.466 3.038 8.803 1.00 0.00 C ATOM 1237 O GLU A 81 22.571 3.507 8.527 1.00 0.00 O ATOM 1238 CB GLU A 81 20.677 4.548 10.658 1.00 0.00 C ATOM 1239 CG GLU A 81 19.756 5.688 11.103 1.00 0.00 C ATOM 1240 CD GLU A 81 18.292 5.285 11.218 1.00 0.00 C ATOM 1241 OE1 GLU A 81 17.993 4.311 11.944 1.00 0.00 O ATOM 1242 OE2 GLU A 81 17.434 5.938 10.581 1.00 0.00 O ATOM 0 H GLU A 81 18.723 3.077 10.310 1.00 0.00 H new ATOM 0 HA GLU A 81 20.217 4.751 8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.642 3.756 11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.703 4.916 10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.097 6.063 12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.842 6.511 10.393 1.00 0.00 H new ATOM 1249 N ALA A 82 21.188 1.740 8.703 1.00 0.00 N ATOM 1250 CA ALA A 82 22.181 0.766 8.251 1.00 0.00 C ATOM 1251 C ALA A 82 21.992 0.442 6.768 1.00 0.00 C ATOM 1252 O ALA A 82 22.721 -0.375 6.203 1.00 0.00 O ATOM 1253 CB ALA A 82 22.098 -0.505 9.091 1.00 0.00 C ATOM 0 H ALA A 82 20.279 1.336 8.930 1.00 0.00 H new ATOM 0 HA ALA A 82 23.171 1.204 8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.843 -1.221 8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 82 22.288 -0.263 10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 82 21.104 -0.941 8.994 1.00 0.00 H new ATOM 1259 N ALA A 83 21.001 1.076 6.149 1.00 0.00 N ATOM 1260 CA ALA A 83 20.727 0.884 4.728 1.00 0.00 C ATOM 1261 C ALA A 83 21.524 1.887 3.889 1.00 0.00 C ATOM 1262 O ALA A 83 21.062 3.038 3.732 1.00 0.00 O ATOM 1263 CB ALA A 83 19.230 1.009 4.456 1.00 0.00 C ATOM 1264 OXT ALA A 83 22.615 1.524 3.399 1.00 0.00 O ATOM 0 H ALA A 83 20.371 1.731 6.612 1.00 0.00 H new ATOM 0 HA ALA A 83 21.042 -0.120 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.040 0.864 3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 83 18.692 0.253 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 83 18.888 2.000 4.754 1.00 0.00 H new TER 1270 ALA A 83