USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.097) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 173:sc=-0.000726 (180deg=-0.0748) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 17:sc= 0.511 USER MOD Single : A 12 ASN : amide:sc= -0.245 K(o=-0.24,f=-1.2) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -174:sc= 0 (180deg=-0.0342) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00321 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= 1.96 (180deg=0.907) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 160:sc=-0.00598 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0127) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.099) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0379) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.687 7.231 2.372 1.00 0.00 N ATOM 2 CA MET A 1 9.504 8.082 2.575 1.00 0.00 C ATOM 3 C MET A 1 8.904 8.340 1.203 1.00 0.00 C ATOM 4 O MET A 1 9.364 9.228 0.483 1.00 0.00 O ATOM 5 CB MET A 1 9.852 9.419 3.252 1.00 0.00 C ATOM 6 CG MET A 1 10.210 9.293 4.733 1.00 0.00 C ATOM 7 SD MET A 1 10.450 10.875 5.593 1.00 0.00 S ATOM 8 CE MET A 1 11.896 11.536 4.720 1.00 0.00 C ATOM 0 H1 MET A 1 11.131 7.029 3.291 1.00 0.00 H new ATOM 0 H2 MET A 1 10.400 6.338 1.922 1.00 0.00 H new ATOM 0 H3 MET A 1 11.368 7.724 1.759 1.00 0.00 H new ATOM 0 HA MET A 1 8.803 7.574 3.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.690 9.874 2.724 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.005 10.097 3.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.420 8.737 5.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.123 8.704 4.823 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.248 12.434 5.228 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.689 10.789 4.712 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.620 11.783 3.695 1.00 0.00 H new ATOM 18 N LEU A 2 7.926 7.532 0.807 1.00 0.00 N ATOM 19 CA LEU A 2 7.228 7.616 -0.470 1.00 0.00 C ATOM 20 C LEU A 2 5.727 7.538 -0.172 1.00 0.00 C ATOM 21 O LEU A 2 5.330 7.198 0.955 1.00 0.00 O ATOM 22 CB LEU A 2 7.711 6.513 -1.434 1.00 0.00 C ATOM 23 CG LEU A 2 9.219 6.511 -1.755 1.00 0.00 C ATOM 24 CD1 LEU A 2 9.579 5.202 -2.465 1.00 0.00 C ATOM 25 CD2 LEU A 2 9.637 7.692 -2.635 1.00 0.00 C ATOM 0 H LEU A 2 7.584 6.769 1.392 1.00 0.00 H new ATOM 0 HA LEU A 2 7.442 8.556 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.449 5.545 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.160 6.609 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 2 9.754 6.604 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.644 5.194 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.341 4.359 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.008 5.121 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.708 7.640 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.095 7.652 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.406 8.626 -2.124 1.00 0.00 H new ATOM 37 N LYS A 3 4.887 7.879 -1.154 1.00 0.00 N ATOM 38 CA LYS A 3 3.433 7.873 -1.010 1.00 0.00 C ATOM 39 C LYS A 3 2.774 7.001 -2.092 1.00 0.00 C ATOM 40 O LYS A 3 2.850 7.304 -3.281 1.00 0.00 O ATOM 41 CB LYS A 3 2.920 9.330 -0.897 1.00 0.00 C ATOM 42 CG LYS A 3 3.096 10.263 -2.113 1.00 0.00 C ATOM 43 CD LYS A 3 1.919 11.247 -2.278 1.00 0.00 C ATOM 44 CE LYS A 3 1.791 12.257 -1.134 1.00 0.00 C ATOM 45 NZ LYS A 3 2.774 13.355 -1.239 1.00 0.00 N ATOM 0 H LYS A 3 5.203 8.169 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 3 3.133 7.391 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.857 9.291 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.420 9.794 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.023 10.826 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.192 9.662 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.040 11.789 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.991 10.680 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.784 12.674 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.925 11.743 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.647 14.012 -0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.737 12.963 -1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.631 13.865 -2.134 1.00 0.00 H new ATOM 59 N LEU A 4 2.251 5.828 -1.726 1.00 0.00 N ATOM 60 CA LEU A 4 1.584 4.915 -2.661 1.00 0.00 C ATOM 61 C LEU A 4 0.151 5.410 -2.865 1.00 0.00 C ATOM 62 O LEU A 4 -0.489 5.833 -1.899 1.00 0.00 O ATOM 63 CB LEU A 4 1.558 3.488 -2.078 1.00 0.00 C ATOM 64 CG LEU A 4 1.027 2.428 -3.071 1.00 0.00 C ATOM 65 CD1 LEU A 4 2.065 2.106 -4.148 1.00 0.00 C ATOM 66 CD2 LEU A 4 0.659 1.138 -2.340 1.00 0.00 C ATOM 0 H LEU A 4 2.278 5.482 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 4 2.121 4.893 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.566 3.212 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.936 3.480 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 4 0.140 2.848 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.661 1.358 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.305 3.012 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.969 1.718 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.288 0.406 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.541 0.740 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.115 1.346 -1.601 1.00 0.00 H new ATOM 78 N LYS A 5 -0.355 5.404 -4.094 1.00 0.00 N ATOM 79 CA LYS A 5 -1.708 5.819 -4.465 1.00 0.00 C ATOM 80 C LYS A 5 -2.435 4.541 -4.836 1.00 0.00 C ATOM 81 O LYS A 5 -1.852 3.718 -5.540 1.00 0.00 O ATOM 82 CB LYS A 5 -1.668 6.754 -5.690 1.00 0.00 C ATOM 83 CG LYS A 5 -0.903 8.066 -5.469 1.00 0.00 C ATOM 84 CD LYS A 5 -1.597 9.000 -4.474 1.00 0.00 C ATOM 85 CE LYS A 5 -2.807 9.714 -5.067 1.00 0.00 C ATOM 86 NZ LYS A 5 -3.366 10.652 -4.078 1.00 0.00 N ATOM 0 H LYS A 5 0.191 5.095 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.196 6.357 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.213 6.219 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.691 6.990 -5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.100 7.839 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.790 8.580 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.913 8.424 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.881 9.743 -4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.517 10.252 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.563 8.986 -5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.191 11.137 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.658 10.128 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.644 11.355 -3.820 1.00 0.00 H new ATOM 100 N VAL A 6 -3.685 4.355 -4.425 1.00 0.00 N ATOM 101 CA VAL A 6 -4.394 3.128 -4.766 1.00 0.00 C ATOM 102 C VAL A 6 -5.886 3.398 -4.832 1.00 0.00 C ATOM 103 O VAL A 6 -6.395 4.222 -4.073 1.00 0.00 O ATOM 104 CB VAL A 6 -3.999 2.016 -3.766 1.00 0.00 C ATOM 105 CG1 VAL A 6 -4.235 2.420 -2.305 1.00 0.00 C ATOM 106 CG2 VAL A 6 -4.694 0.678 -4.047 1.00 0.00 C ATOM 0 H VAL A 6 -4.218 5.022 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.109 2.772 -5.756 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.928 1.880 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.940 1.601 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.641 3.304 -2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.291 2.642 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.375 -0.060 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.774 0.809 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.428 0.332 -5.046 1.00 0.00 H new ATOM 116 N GLU A 7 -6.603 2.763 -5.754 1.00 0.00 N ATOM 117 CA GLU A 7 -8.035 2.945 -5.875 1.00 0.00 C ATOM 118 C GLU A 7 -8.681 1.648 -6.355 1.00 0.00 C ATOM 119 O GLU A 7 -8.047 0.811 -7.002 1.00 0.00 O ATOM 120 CB GLU A 7 -8.345 4.186 -6.738 1.00 0.00 C ATOM 121 CG GLU A 7 -9.738 4.796 -6.506 1.00 0.00 C ATOM 122 CD GLU A 7 -9.981 5.293 -5.074 1.00 0.00 C ATOM 123 OE1 GLU A 7 -10.274 4.440 -4.203 1.00 0.00 O ATOM 124 OE2 GLU A 7 -9.920 6.523 -4.834 1.00 0.00 O ATOM 0 H GLU A 7 -6.205 2.113 -6.432 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.483 3.155 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.591 4.948 -6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.253 3.913 -7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.876 5.629 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.494 4.050 -6.752 1.00 0.00 H new ATOM 131 N GLY A 8 -9.972 1.510 -6.062 1.00 0.00 N ATOM 132 CA GLY A 8 -10.776 0.353 -6.413 1.00 0.00 C ATOM 133 C GLY A 8 -11.745 -0.009 -5.292 1.00 0.00 C ATOM 134 O GLY A 8 -12.812 -0.544 -5.593 1.00 0.00 O ATOM 0 H GLY A 8 -10.499 2.224 -5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.334 0.559 -7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.124 -0.496 -6.622 1.00 0.00 H new ATOM 138 N MET A 9 -11.419 0.291 -4.031 1.00 0.00 N ATOM 139 CA MET A 9 -12.267 -0.001 -2.882 1.00 0.00 C ATOM 140 C MET A 9 -12.080 1.062 -1.800 1.00 0.00 C ATOM 141 O MET A 9 -11.010 1.659 -1.683 1.00 0.00 O ATOM 142 CB MET A 9 -11.926 -1.404 -2.357 1.00 0.00 C ATOM 143 CG MET A 9 -12.969 -1.960 -1.382 1.00 0.00 C ATOM 144 SD MET A 9 -14.679 -1.892 -1.989 1.00 0.00 S ATOM 145 CE MET A 9 -14.551 -2.953 -3.456 1.00 0.00 C ATOM 0 H MET A 9 -10.544 0.751 -3.781 1.00 0.00 H new ATOM 0 HA MET A 9 -13.316 0.019 -3.178 1.00 0.00 H new ATOM 0 HB2 MET A 9 -11.829 -2.086 -3.202 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.956 -1.372 -1.860 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.719 -2.996 -1.154 1.00 0.00 H new ATOM 0 HG3 MET A 9 -12.906 -1.404 -0.447 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.544 -3.117 -3.875 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.918 -2.470 -4.201 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.113 -3.911 -3.175 1.00 0.00 H new ATOM 155 N THR A 10 -13.099 1.285 -0.974 1.00 0.00 N ATOM 156 CA THR A 10 -13.084 2.265 0.104 1.00 0.00 C ATOM 157 C THR A 10 -13.827 1.630 1.282 1.00 0.00 C ATOM 158 O THR A 10 -15.022 1.854 1.481 1.00 0.00 O ATOM 159 CB THR A 10 -13.571 3.636 -0.440 1.00 0.00 C ATOM 160 OG1 THR A 10 -13.732 4.657 0.521 1.00 0.00 O ATOM 161 CG2 THR A 10 -14.857 3.607 -1.277 1.00 0.00 C ATOM 0 H THR A 10 -13.980 0.775 -1.039 1.00 0.00 H new ATOM 0 HA THR A 10 -12.098 2.515 0.495 1.00 0.00 H new ATOM 0 HB THR A 10 -12.724 3.872 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.039 5.476 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.102 4.618 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.709 2.970 -2.149 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.675 3.212 -0.674 1.00 0.00 H new ATOM 169 N CYS A 11 -13.117 0.739 1.989 1.00 0.00 N ATOM 170 CA CYS A 11 -13.562 -0.005 3.159 1.00 0.00 C ATOM 171 C CYS A 11 -12.339 -0.287 4.038 1.00 0.00 C ATOM 172 O CYS A 11 -11.248 -0.546 3.526 1.00 0.00 O ATOM 173 CB CYS A 11 -14.169 -1.362 2.762 1.00 0.00 C ATOM 174 SG CYS A 11 -15.777 -1.171 1.950 1.00 0.00 S ATOM 0 H CYS A 11 -12.156 0.510 1.736 1.00 0.00 H new ATOM 0 HA CYS A 11 -14.317 0.586 3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -13.485 -1.884 2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -14.282 -1.983 3.651 1.00 0.00 H new ATOM 0 HG CYS A 11 -15.918 0.058 1.550 1.00 0.00 H new ATOM 180 N ASN A 12 -12.565 -0.384 5.348 1.00 0.00 N ATOM 181 CA ASN A 12 -11.570 -0.649 6.390 1.00 0.00 C ATOM 182 C ASN A 12 -10.718 -1.900 6.151 1.00 0.00 C ATOM 183 O ASN A 12 -9.555 -1.937 6.554 1.00 0.00 O ATOM 184 CB ASN A 12 -12.286 -0.842 7.740 1.00 0.00 C ATOM 185 CG ASN A 12 -13.114 -2.126 7.748 1.00 0.00 C ATOM 186 OD1 ASN A 12 -14.093 -2.249 7.016 1.00 0.00 O ATOM 187 ND2 ASN A 12 -12.694 -3.150 8.467 1.00 0.00 N ATOM 0 H ASN A 12 -13.503 -0.273 5.734 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.903 0.213 6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.550 -0.876 8.543 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.933 0.013 7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.182 -4.044 8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.881 -3.047 9.075 1.00 0.00 H new ATOM 194 N HIS A 13 -11.266 -2.940 5.509 1.00 0.00 N ATOM 195 CA HIS A 13 -10.525 -4.173 5.264 1.00 0.00 C ATOM 196 C HIS A 13 -9.318 -3.955 4.344 1.00 0.00 C ATOM 197 O HIS A 13 -8.371 -4.743 4.405 1.00 0.00 O ATOM 198 CB HIS A 13 -11.460 -5.265 4.731 1.00 0.00 C ATOM 199 CG HIS A 13 -10.815 -6.631 4.702 1.00 0.00 C ATOM 200 ND1 HIS A 13 -10.199 -7.252 5.766 1.00 0.00 N ATOM 201 CD2 HIS A 13 -10.708 -7.467 3.619 1.00 0.00 C ATOM 202 CE1 HIS A 13 -9.703 -8.416 5.323 1.00 0.00 C ATOM 203 NE2 HIS A 13 -9.999 -8.600 4.027 1.00 0.00 N ATOM 0 H HIS A 13 -12.221 -2.947 5.152 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.121 -4.510 6.219 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -12.355 -5.305 5.352 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.783 -5.000 3.724 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.101 -7.283 2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.141 -9.112 5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -9.755 -9.407 3.453 1.00 0.00 H new ATOM 211 N CYS A 14 -9.327 -2.884 3.536 1.00 0.00 N ATOM 212 CA CYS A 14 -8.250 -2.536 2.618 1.00 0.00 C ATOM 213 C CYS A 14 -6.940 -2.497 3.409 1.00 0.00 C ATOM 214 O CYS A 14 -5.993 -3.205 3.085 1.00 0.00 O ATOM 215 CB CYS A 14 -8.589 -1.196 1.941 1.00 0.00 C ATOM 216 SG CYS A 14 -7.429 -0.785 0.606 1.00 0.00 S ATOM 0 H CYS A 14 -10.105 -2.225 3.508 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.134 -3.274 1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.601 -1.241 1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.577 -0.401 2.687 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.766 0.352 0.073 1.00 0.00 H new ATOM 222 N VAL A 15 -6.925 -1.741 4.507 1.00 0.00 N ATOM 223 CA VAL A 15 -5.784 -1.565 5.393 1.00 0.00 C ATOM 224 C VAL A 15 -5.211 -2.916 5.852 1.00 0.00 C ATOM 225 O VAL A 15 -4.009 -3.169 5.736 1.00 0.00 O ATOM 226 CB VAL A 15 -6.231 -0.693 6.591 1.00 0.00 C ATOM 227 CG1 VAL A 15 -5.034 -0.370 7.488 1.00 0.00 C ATOM 228 CG2 VAL A 15 -6.948 0.604 6.171 1.00 0.00 C ATOM 0 H VAL A 15 -7.744 -1.215 4.812 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.978 -1.063 4.859 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.961 -1.283 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.363 0.244 8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.601 -1.297 7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.284 0.173 6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.233 1.166 7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.278 1.208 5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.840 0.357 5.596 1.00 0.00 H new ATOM 238 N MET A 16 -6.078 -3.795 6.364 1.00 0.00 N ATOM 239 CA MET A 16 -5.698 -5.109 6.868 1.00 0.00 C ATOM 240 C MET A 16 -4.985 -5.924 5.787 1.00 0.00 C ATOM 241 O MET A 16 -3.914 -6.489 6.040 1.00 0.00 O ATOM 242 CB MET A 16 -6.940 -5.877 7.360 1.00 0.00 C ATOM 243 CG MET A 16 -7.771 -5.149 8.426 1.00 0.00 C ATOM 244 SD MET A 16 -6.975 -4.896 10.039 1.00 0.00 S ATOM 245 CE MET A 16 -6.988 -6.598 10.674 1.00 0.00 C ATOM 0 H MET A 16 -7.078 -3.606 6.439 1.00 0.00 H new ATOM 0 HA MET A 16 -5.013 -4.961 7.703 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.580 -6.089 6.504 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.619 -6.837 7.764 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.057 -4.175 8.030 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.691 -5.711 8.584 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.631 -6.605 11.704 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.004 -6.991 10.640 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.337 -7.220 10.060 1.00 0.00 H new ATOM 255 N ALA A 17 -5.586 -5.997 4.596 1.00 0.00 N ATOM 256 CA ALA A 17 -5.061 -6.738 3.459 1.00 0.00 C ATOM 257 C ALA A 17 -3.747 -6.143 2.945 1.00 0.00 C ATOM 258 O ALA A 17 -2.824 -6.882 2.597 1.00 0.00 O ATOM 259 CB ALA A 17 -6.123 -6.760 2.364 1.00 0.00 C ATOM 0 H ALA A 17 -6.471 -5.530 4.397 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.832 -7.756 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.746 -7.312 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.024 -7.245 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.359 -5.739 2.065 1.00 0.00 H new ATOM 265 N VAL A 18 -3.631 -4.816 2.932 1.00 0.00 N ATOM 266 CA VAL A 18 -2.442 -4.111 2.477 1.00 0.00 C ATOM 267 C VAL A 18 -1.266 -4.498 3.365 1.00 0.00 C ATOM 268 O VAL A 18 -0.273 -5.033 2.864 1.00 0.00 O ATOM 269 CB VAL A 18 -2.745 -2.601 2.471 1.00 0.00 C ATOM 270 CG1 VAL A 18 -1.489 -1.729 2.415 1.00 0.00 C ATOM 271 CG2 VAL A 18 -3.602 -2.278 1.246 1.00 0.00 C ATOM 0 H VAL A 18 -4.376 -4.193 3.244 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.166 -4.387 1.459 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.258 -2.377 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.776 -0.677 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.865 -1.934 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.930 -1.954 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.825 -1.211 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.060 -2.550 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.533 -2.842 1.295 1.00 0.00 H new ATOM 281 N THR A 19 -1.387 -4.338 4.688 1.00 0.00 N ATOM 282 CA THR A 19 -0.278 -4.702 5.564 1.00 0.00 C ATOM 283 C THR A 19 -0.044 -6.221 5.505 1.00 0.00 C ATOM 284 O THR A 19 1.095 -6.671 5.607 1.00 0.00 O ATOM 285 CB THR A 19 -0.528 -4.186 6.991 1.00 0.00 C ATOM 286 OG1 THR A 19 -1.147 -2.911 6.978 1.00 0.00 O ATOM 287 CG2 THR A 19 0.768 -4.061 7.798 1.00 0.00 C ATOM 0 H THR A 19 -2.214 -3.971 5.159 1.00 0.00 H new ATOM 0 HA THR A 19 0.639 -4.223 5.220 1.00 0.00 H new ATOM 0 HB THR A 19 -1.181 -4.923 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.295 -2.610 7.899 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.540 -3.693 8.798 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.247 -5.037 7.871 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.441 -3.363 7.300 1.00 0.00 H new ATOM 295 N LYS A 20 -1.087 -7.042 5.311 1.00 0.00 N ATOM 296 CA LYS A 20 -0.916 -8.492 5.231 1.00 0.00 C ATOM 297 C LYS A 20 -0.036 -8.879 4.037 1.00 0.00 C ATOM 298 O LYS A 20 0.811 -9.764 4.175 1.00 0.00 O ATOM 299 CB LYS A 20 -2.293 -9.179 5.165 1.00 0.00 C ATOM 300 CG LYS A 20 -2.239 -10.700 4.975 1.00 0.00 C ATOM 301 CD LYS A 20 -1.545 -11.423 6.135 1.00 0.00 C ATOM 302 CE LYS A 20 -1.598 -12.925 5.864 1.00 0.00 C ATOM 303 NZ LYS A 20 -0.830 -13.691 6.862 1.00 0.00 N ATOM 0 H LYS A 20 -2.051 -6.724 5.208 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.404 -8.836 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.838 -8.960 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.863 -8.743 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.254 -11.084 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.714 -10.927 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.511 -11.090 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.039 -11.190 7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.636 -13.259 5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.204 -13.128 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.891 -14.706 6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.166 -13.391 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.222 -13.517 7.810 1.00 0.00 H new ATOM 317 N ALA A 21 -0.219 -8.267 2.865 1.00 0.00 N ATOM 318 CA ALA A 21 0.589 -8.610 1.699 1.00 0.00 C ATOM 319 C ALA A 21 2.002 -8.052 1.801 1.00 0.00 C ATOM 320 O ALA A 21 2.967 -8.784 1.577 1.00 0.00 O ATOM 321 CB ALA A 21 -0.062 -8.111 0.412 1.00 0.00 C ATOM 0 H ALA A 21 -0.914 -7.538 2.701 1.00 0.00 H new ATOM 0 HA ALA A 21 0.650 -9.698 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.562 -8.381 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.045 -8.568 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.169 -7.027 0.455 1.00 0.00 H new ATOM 327 N LEU A 22 2.124 -6.767 2.136 1.00 0.00 N ATOM 328 CA LEU A 22 3.402 -6.068 2.251 1.00 0.00 C ATOM 329 C LEU A 22 4.337 -6.686 3.283 1.00 0.00 C ATOM 330 O LEU A 22 5.509 -6.898 2.974 1.00 0.00 O ATOM 331 CB LEU A 22 3.146 -4.594 2.592 1.00 0.00 C ATOM 332 CG LEU A 22 2.930 -3.667 1.383 1.00 0.00 C ATOM 333 CD1 LEU A 22 2.010 -4.206 0.281 1.00 0.00 C ATOM 334 CD2 LEU A 22 2.321 -2.362 1.895 1.00 0.00 C ATOM 0 H LEU A 22 1.321 -6.172 2.339 1.00 0.00 H new ATOM 0 HA LEU A 22 3.904 -6.158 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.269 -4.534 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.991 -4.220 3.169 1.00 0.00 H new ATOM 0 HG LEU A 22 3.912 -3.552 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.931 -3.470 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.424 -5.132 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.020 -4.399 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.157 -1.684 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.370 -2.572 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.002 -1.898 2.609 1.00 0.00 H new ATOM 346 N LYS A 23 3.815 -7.093 4.446 1.00 0.00 N ATOM 347 CA LYS A 23 4.584 -7.669 5.551 1.00 0.00 C ATOM 348 C LYS A 23 5.524 -8.800 5.148 1.00 0.00 C ATOM 349 O LYS A 23 6.549 -8.974 5.817 1.00 0.00 O ATOM 350 CB LYS A 23 3.597 -8.102 6.642 1.00 0.00 C ATOM 351 CG LYS A 23 4.263 -8.831 7.814 1.00 0.00 C ATOM 352 CD LYS A 23 3.283 -9.091 8.956 1.00 0.00 C ATOM 353 CE LYS A 23 2.961 -7.784 9.674 1.00 0.00 C ATOM 354 NZ LYS A 23 2.020 -7.976 10.787 1.00 0.00 N ATOM 0 H LYS A 23 2.817 -7.028 4.648 1.00 0.00 H new ATOM 0 HA LYS A 23 5.258 -6.899 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.077 -7.222 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.843 -8.753 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.674 -9.779 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.100 -8.237 8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.368 -9.537 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.712 -9.806 9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.883 -7.343 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.538 -7.075 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.832 -7.061 11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.129 -8.372 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.433 -8.631 11.481 1.00 0.00 H new ATOM 368 N LYS A 24 5.222 -9.562 4.090 1.00 0.00 N ATOM 369 CA LYS A 24 6.109 -10.643 3.663 1.00 0.00 C ATOM 370 C LYS A 24 7.512 -10.113 3.354 1.00 0.00 C ATOM 371 O LYS A 24 8.482 -10.865 3.466 1.00 0.00 O ATOM 372 CB LYS A 24 5.513 -11.427 2.478 1.00 0.00 C ATOM 373 CG LYS A 24 5.727 -10.803 1.084 1.00 0.00 C ATOM 374 CD LYS A 24 5.216 -11.703 -0.051 1.00 0.00 C ATOM 375 CE LYS A 24 3.692 -11.786 -0.170 1.00 0.00 C ATOM 376 NZ LYS A 24 3.101 -10.526 -0.653 1.00 0.00 N ATOM 0 H LYS A 24 4.382 -9.450 3.523 1.00 0.00 H new ATOM 0 HA LYS A 24 6.203 -11.346 4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.943 -12.429 2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.442 -11.540 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.216 -9.841 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.789 -10.607 0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.620 -11.338 -0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.610 -12.709 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.426 -12.594 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.267 -12.035 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.261 -10.735 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.826 -9.938 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.798 -10.014 -1.230 1.00 0.00 H new ATOM 390 N VAL A 25 7.628 -8.845 2.965 1.00 0.00 N ATOM 391 CA VAL A 25 8.866 -8.179 2.625 1.00 0.00 C ATOM 392 C VAL A 25 9.378 -7.438 3.867 1.00 0.00 C ATOM 393 O VAL A 25 8.801 -6.403 4.226 1.00 0.00 O ATOM 394 CB VAL A 25 8.628 -7.216 1.441 1.00 0.00 C ATOM 395 CG1 VAL A 25 9.959 -6.677 0.897 1.00 0.00 C ATOM 396 CG2 VAL A 25 7.859 -7.908 0.306 1.00 0.00 C ATOM 0 H VAL A 25 6.818 -8.232 2.877 1.00 0.00 H new ATOM 0 HA VAL A 25 9.622 -8.901 2.314 1.00 0.00 H new ATOM 0 HB VAL A 25 8.030 -6.385 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.765 -6.001 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.483 -6.138 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.575 -7.508 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.707 -7.204 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.431 -8.764 -0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.892 -8.248 0.676 1.00 0.00 H new ATOM 406 N PRO A 26 10.412 -7.954 4.555 1.00 0.00 N ATOM 407 CA PRO A 26 10.967 -7.274 5.713 1.00 0.00 C ATOM 408 C PRO A 26 11.779 -6.056 5.246 1.00 0.00 C ATOM 409 O PRO A 26 12.059 -5.912 4.050 1.00 0.00 O ATOM 410 CB PRO A 26 11.850 -8.314 6.406 1.00 0.00 C ATOM 411 CG PRO A 26 12.343 -9.176 5.253 1.00 0.00 C ATOM 412 CD PRO A 26 11.174 -9.166 4.271 1.00 0.00 C ATOM 0 HA PRO A 26 10.204 -6.900 6.396 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.677 -7.847 6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.288 -8.899 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.247 -8.765 4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.581 -10.187 5.582 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.531 -9.169 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.554 -10.054 4.396 1.00 0.00 H new ATOM 420 N GLY A 27 12.169 -5.188 6.178 1.00 0.00 N ATOM 421 CA GLY A 27 12.946 -3.988 5.868 1.00 0.00 C ATOM 422 C GLY A 27 12.080 -2.784 5.486 1.00 0.00 C ATOM 423 O GLY A 27 12.564 -1.850 4.848 1.00 0.00 O ATOM 0 H GLY A 27 11.955 -5.296 7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.557 -3.727 6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.630 -4.209 5.048 1.00 0.00 H new ATOM 427 N VAL A 28 10.779 -2.835 5.790 1.00 0.00 N ATOM 428 CA VAL A 28 9.839 -1.753 5.502 1.00 0.00 C ATOM 429 C VAL A 28 9.376 -1.187 6.847 1.00 0.00 C ATOM 430 O VAL A 28 9.632 -0.029 7.153 1.00 0.00 O ATOM 431 CB VAL A 28 8.697 -2.314 4.631 1.00 0.00 C ATOM 432 CG1 VAL A 28 7.712 -1.230 4.186 1.00 0.00 C ATOM 433 CG2 VAL A 28 9.237 -3.038 3.387 1.00 0.00 C ATOM 0 H VAL A 28 10.347 -3.638 6.248 1.00 0.00 H new ATOM 0 HA VAL A 28 10.284 -0.936 4.934 1.00 0.00 H new ATOM 0 HB VAL A 28 8.166 -3.025 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.928 -1.679 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.265 -0.762 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.240 -0.476 3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.403 -3.420 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.818 -2.341 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.873 -3.868 3.696 1.00 0.00 H new ATOM 443 N GLU A 29 8.784 -2.054 7.678 1.00 0.00 N ATOM 444 CA GLU A 29 8.247 -1.886 9.039 1.00 0.00 C ATOM 445 C GLU A 29 7.489 -0.592 9.394 1.00 0.00 C ATOM 446 O GLU A 29 7.039 -0.450 10.537 1.00 0.00 O ATOM 447 CB GLU A 29 9.386 -2.113 10.049 1.00 0.00 C ATOM 448 CG GLU A 29 10.306 -3.285 9.665 1.00 0.00 C ATOM 449 CD GLU A 29 10.969 -3.908 10.885 1.00 0.00 C ATOM 450 OE1 GLU A 29 11.575 -3.166 11.687 1.00 0.00 O ATOM 451 OE2 GLU A 29 10.809 -5.142 11.060 1.00 0.00 O ATOM 0 H GLU A 29 8.652 -3.018 7.372 1.00 0.00 H new ATOM 0 HA GLU A 29 7.455 -2.633 9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.980 -1.203 10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.959 -2.302 11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.727 -4.044 9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.073 -2.934 8.975 1.00 0.00 H new ATOM 458 N LYS A 30 7.278 0.331 8.459 1.00 0.00 N ATOM 459 CA LYS A 30 6.611 1.601 8.674 1.00 0.00 C ATOM 460 C LYS A 30 5.797 1.910 7.426 1.00 0.00 C ATOM 461 O LYS A 30 6.341 2.305 6.391 1.00 0.00 O ATOM 462 CB LYS A 30 7.753 2.594 8.943 1.00 0.00 C ATOM 463 CG LYS A 30 7.381 4.057 9.194 1.00 0.00 C ATOM 464 CD LYS A 30 6.929 4.357 10.626 1.00 0.00 C ATOM 465 CE LYS A 30 7.106 5.861 10.841 1.00 0.00 C ATOM 466 NZ LYS A 30 6.548 6.329 12.121 1.00 0.00 N ATOM 0 H LYS A 30 7.582 0.204 7.494 1.00 0.00 H new ATOM 0 HA LYS A 30 5.909 1.629 9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.311 2.237 9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.432 2.562 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.241 4.684 8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.583 4.340 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.889 4.066 10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.522 3.792 11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.168 6.105 10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.626 6.398 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.697 7.354 12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.529 6.124 12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.023 5.840 12.906 1.00 0.00 H new ATOM 480 N VAL A 31 4.489 1.698 7.522 1.00 0.00 N ATOM 481 CA VAL A 31 3.525 1.930 6.458 1.00 0.00 C ATOM 482 C VAL A 31 2.255 2.434 7.131 1.00 0.00 C ATOM 483 O VAL A 31 1.937 1.951 8.220 1.00 0.00 O ATOM 484 CB VAL A 31 3.260 0.647 5.631 1.00 0.00 C ATOM 485 CG1 VAL A 31 4.529 0.132 4.944 1.00 0.00 C ATOM 486 CG2 VAL A 31 2.675 -0.528 6.438 1.00 0.00 C ATOM 0 H VAL A 31 4.057 1.346 8.377 1.00 0.00 H new ATOM 0 HA VAL A 31 3.906 2.662 5.745 1.00 0.00 H new ATOM 0 HB VAL A 31 2.518 0.971 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.295 -0.768 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.914 0.897 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.282 -0.099 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.522 -1.382 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.367 -0.803 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.721 -0.231 6.874 1.00 0.00 H new ATOM 496 N GLU A 32 1.531 3.380 6.535 1.00 0.00 N ATOM 497 CA GLU A 32 0.302 3.881 7.146 1.00 0.00 C ATOM 498 C GLU A 32 -0.732 4.053 6.045 1.00 0.00 C ATOM 499 O GLU A 32 -0.563 4.907 5.173 1.00 0.00 O ATOM 500 CB GLU A 32 0.565 5.233 7.832 1.00 0.00 C ATOM 501 CG GLU A 32 1.708 5.255 8.857 1.00 0.00 C ATOM 502 CD GLU A 32 1.522 4.315 10.049 1.00 0.00 C ATOM 503 OE1 GLU A 32 0.363 3.976 10.382 1.00 0.00 O ATOM 504 OE2 GLU A 32 2.551 4.014 10.697 1.00 0.00 O ATOM 0 H GLU A 32 1.770 3.810 5.641 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.057 3.179 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.780 5.973 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.351 5.549 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.637 4.995 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.823 6.273 9.230 1.00 0.00 H new ATOM 511 N VAL A 33 -1.837 3.319 6.094 1.00 0.00 N ATOM 512 CA VAL A 33 -2.888 3.400 5.082 1.00 0.00 C ATOM 513 C VAL A 33 -3.906 4.453 5.516 1.00 0.00 C ATOM 514 O VAL A 33 -4.097 4.657 6.718 1.00 0.00 O ATOM 515 CB VAL A 33 -3.531 2.015 4.891 1.00 0.00 C ATOM 516 CG1 VAL A 33 -4.425 2.002 3.650 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.482 0.894 4.744 1.00 0.00 C ATOM 0 H VAL A 33 -2.032 2.649 6.838 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.476 3.701 4.119 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.120 1.826 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.870 1.014 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.215 2.745 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.828 2.238 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.988 -0.062 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.854 1.095 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.862 0.856 5.640 1.00 0.00 H new ATOM 527 N SER A 34 -4.463 5.220 4.579 1.00 0.00 N ATOM 528 CA SER A 34 -5.463 6.225 4.906 1.00 0.00 C ATOM 529 C SER A 34 -6.810 5.509 4.826 1.00 0.00 C ATOM 530 O SER A 34 -7.058 4.733 3.900 1.00 0.00 O ATOM 531 CB SER A 34 -5.352 7.419 3.959 1.00 0.00 C ATOM 532 OG SER A 34 -6.195 8.485 4.358 1.00 0.00 O ATOM 0 H SER A 34 -4.235 5.161 3.587 1.00 0.00 H new ATOM 0 HA SER A 34 -5.328 6.645 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.319 7.764 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.614 7.107 2.948 1.00 0.00 H new ATOM 0 HG SER A 34 -5.881 9.320 3.952 1.00 0.00 H new ATOM 538 N LEU A 35 -7.654 5.705 5.837 1.00 0.00 N ATOM 539 CA LEU A 35 -8.958 5.065 5.877 1.00 0.00 C ATOM 540 C LEU A 35 -9.936 5.681 4.872 1.00 0.00 C ATOM 541 O LEU A 35 -10.613 4.936 4.163 1.00 0.00 O ATOM 542 CB LEU A 35 -9.513 5.058 7.308 1.00 0.00 C ATOM 543 CG LEU A 35 -8.800 4.046 8.232 1.00 0.00 C ATOM 544 CD1 LEU A 35 -7.515 4.593 8.870 1.00 0.00 C ATOM 545 CD2 LEU A 35 -9.759 3.601 9.335 1.00 0.00 C ATOM 0 H LEU A 35 -7.454 6.304 6.638 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.831 4.027 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.418 6.057 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.577 4.825 7.277 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.506 3.206 7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.070 3.827 9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.809 4.870 8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.752 5.470 9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.257 2.887 9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.071 4.468 9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.635 3.130 8.888 1.00 0.00 H new ATOM 557 N GLU A 36 -10.061 7.013 4.835 1.00 0.00 N ATOM 558 CA GLU A 36 -10.950 7.753 3.925 1.00 0.00 C ATOM 559 C GLU A 36 -10.360 7.990 2.532 1.00 0.00 C ATOM 560 O GLU A 36 -11.081 8.430 1.626 1.00 0.00 O ATOM 561 CB GLU A 36 -11.298 9.141 4.506 1.00 0.00 C ATOM 562 CG GLU A 36 -12.224 9.103 5.727 1.00 0.00 C ATOM 563 CD GLU A 36 -11.549 8.465 6.934 1.00 0.00 C ATOM 564 OE1 GLU A 36 -10.497 8.998 7.355 1.00 0.00 O ATOM 565 OE2 GLU A 36 -12.066 7.430 7.415 1.00 0.00 O ATOM 0 H GLU A 36 -9.532 7.626 5.455 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.831 7.118 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.373 9.648 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.769 9.740 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.534 10.117 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.127 8.546 5.480 1.00 0.00 H new ATOM 572 N LYS A 37 -9.057 7.760 2.341 1.00 0.00 N ATOM 573 CA LYS A 37 -8.404 8.019 1.065 1.00 0.00 C ATOM 574 C LYS A 37 -7.659 6.801 0.563 1.00 0.00 C ATOM 575 O LYS A 37 -7.168 5.989 1.337 1.00 0.00 O ATOM 576 CB LYS A 37 -7.457 9.220 1.232 1.00 0.00 C ATOM 577 CG LYS A 37 -8.167 10.471 1.792 1.00 0.00 C ATOM 578 CD LYS A 37 -7.219 11.641 2.069 1.00 0.00 C ATOM 579 CE LYS A 37 -6.319 12.001 0.887 1.00 0.00 C ATOM 580 NZ LYS A 37 -7.062 12.249 -0.363 1.00 0.00 N ATOM 0 H LYS A 37 -8.435 7.393 3.062 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.161 8.251 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.641 8.943 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.012 9.462 0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.931 10.793 1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.681 10.204 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.808 12.516 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.594 11.394 2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.740 12.889 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.607 11.192 0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.400 12.553 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.540 11.375 -0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.770 12.994 -0.204 1.00 0.00 H new ATOM 594 N GLY A 38 -7.544 6.710 -0.753 1.00 0.00 N ATOM 595 CA GLY A 38 -6.879 5.637 -1.443 1.00 0.00 C ATOM 596 C GLY A 38 -5.401 5.937 -1.531 1.00 0.00 C ATOM 597 O GLY A 38 -4.918 6.418 -2.562 1.00 0.00 O ATOM 0 H GLY A 38 -7.929 7.412 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.040 4.696 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.297 5.518 -2.442 1.00 0.00 H new ATOM 601 N GLU A 39 -4.687 5.719 -0.433 1.00 0.00 N ATOM 602 CA GLU A 39 -3.260 5.961 -0.349 1.00 0.00 C ATOM 603 C GLU A 39 -2.677 5.301 0.894 1.00 0.00 C ATOM 604 O GLU A 39 -3.387 5.047 1.870 1.00 0.00 O ATOM 605 CB GLU A 39 -2.988 7.475 -0.325 1.00 0.00 C ATOM 606 CG GLU A 39 -3.660 8.217 0.841 1.00 0.00 C ATOM 607 CD GLU A 39 -3.715 9.717 0.584 1.00 0.00 C ATOM 608 OE1 GLU A 39 -4.263 10.099 -0.477 1.00 0.00 O ATOM 609 OE2 GLU A 39 -3.304 10.491 1.480 1.00 0.00 O ATOM 0 H GLU A 39 -5.093 5.364 0.433 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.779 5.526 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.912 7.639 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.332 7.910 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.670 7.833 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.111 8.024 1.763 1.00 0.00 H new ATOM 616 N ALA A 40 -1.367 5.063 0.860 1.00 0.00 N ATOM 617 CA ALA A 40 -0.625 4.457 1.946 1.00 0.00 C ATOM 618 C ALA A 40 0.785 5.037 1.987 1.00 0.00 C ATOM 619 O ALA A 40 1.450 5.151 0.953 1.00 0.00 O ATOM 620 CB ALA A 40 -0.583 2.942 1.766 1.00 0.00 C ATOM 0 H ALA A 40 -0.786 5.294 0.055 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.120 4.675 2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.023 2.493 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.599 2.548 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.097 2.701 0.821 1.00 0.00 H new ATOM 626 N LEU A 41 1.194 5.557 3.138 1.00 0.00 N ATOM 627 CA LEU A 41 2.522 6.118 3.353 1.00 0.00 C ATOM 628 C LEU A 41 3.457 4.912 3.449 1.00 0.00 C ATOM 629 O LEU A 41 3.037 3.880 3.982 1.00 0.00 O ATOM 630 CB LEU A 41 2.580 6.919 4.673 1.00 0.00 C ATOM 631 CG LEU A 41 1.493 7.992 4.885 1.00 0.00 C ATOM 632 CD1 LEU A 41 1.768 8.781 6.171 1.00 0.00 C ATOM 633 CD2 LEU A 41 1.407 8.966 3.708 1.00 0.00 C ATOM 0 H LEU A 41 0.599 5.601 3.965 1.00 0.00 H new ATOM 0 HA LEU A 41 2.796 6.802 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.526 6.213 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.554 7.406 4.732 1.00 0.00 H new ATOM 0 HG LEU A 41 0.540 7.468 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.993 9.535 6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.767 8.101 7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.740 9.269 6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.628 9.703 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.364 9.473 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.168 8.416 2.798 1.00 0.00 H new ATOM 645 N VAL A 42 4.675 5.000 2.915 1.00 0.00 N ATOM 646 CA VAL A 42 5.638 3.908 2.972 1.00 0.00 C ATOM 647 C VAL A 42 7.042 4.436 3.272 1.00 0.00 C ATOM 648 O VAL A 42 7.524 5.388 2.655 1.00 0.00 O ATOM 649 CB VAL A 42 5.560 3.032 1.701 1.00 0.00 C ATOM 650 CG1 VAL A 42 5.479 3.851 0.410 1.00 0.00 C ATOM 651 CG2 VAL A 42 6.745 2.058 1.613 1.00 0.00 C ATOM 0 H VAL A 42 5.019 5.830 2.432 1.00 0.00 H new ATOM 0 HA VAL A 42 5.381 3.250 3.802 1.00 0.00 H new ATOM 0 HB VAL A 42 4.632 2.468 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.427 3.178 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.588 4.479 0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.364 4.481 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.657 1.459 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.678 2.621 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.742 1.402 2.484 1.00 0.00 H new ATOM 661 N GLU A 43 7.699 3.810 4.240 1.00 0.00 N ATOM 662 CA GLU A 43 9.053 4.085 4.685 1.00 0.00 C ATOM 663 C GLU A 43 9.802 2.758 4.532 1.00 0.00 C ATOM 664 O GLU A 43 9.201 1.679 4.532 1.00 0.00 O ATOM 665 CB GLU A 43 9.076 4.671 6.102 1.00 0.00 C ATOM 666 CG GLU A 43 9.102 6.205 6.067 1.00 0.00 C ATOM 667 CD GLU A 43 9.186 6.823 7.468 1.00 0.00 C ATOM 668 OE1 GLU A 43 10.317 6.990 7.973 1.00 0.00 O ATOM 669 OE2 GLU A 43 8.138 7.158 8.067 1.00 0.00 O ATOM 0 H GLU A 43 7.270 3.049 4.767 1.00 0.00 H new ATOM 0 HA GLU A 43 9.544 4.857 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.199 4.332 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.951 4.302 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.955 6.537 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.205 6.569 5.566 1.00 0.00 H new ATOM 676 N GLY A 44 11.105 2.836 4.298 1.00 0.00 N ATOM 677 CA GLY A 44 11.989 1.701 4.099 1.00 0.00 C ATOM 678 C GLY A 44 12.549 1.757 2.681 1.00 0.00 C ATOM 679 O GLY A 44 12.541 2.815 2.031 1.00 0.00 O ATOM 0 H GLY A 44 11.593 3.730 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.800 1.723 4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.447 0.768 4.254 1.00 0.00 H new ATOM 683 N THR A 45 12.981 0.604 2.179 1.00 0.00 N ATOM 684 CA THR A 45 13.586 0.441 0.858 1.00 0.00 C ATOM 685 C THR A 45 12.785 -0.459 -0.099 1.00 0.00 C ATOM 686 O THR A 45 13.359 -1.129 -0.962 1.00 0.00 O ATOM 687 CB THR A 45 15.080 0.087 1.060 1.00 0.00 C ATOM 688 OG1 THR A 45 15.349 -0.516 2.321 1.00 0.00 O ATOM 689 CG2 THR A 45 15.890 1.386 1.072 1.00 0.00 C ATOM 0 H THR A 45 12.918 -0.273 2.697 1.00 0.00 H new ATOM 0 HA THR A 45 13.545 1.380 0.307 1.00 0.00 H new ATOM 0 HB THR A 45 15.340 -0.601 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.306 -0.718 2.390 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.946 1.155 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.756 1.907 0.124 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.545 2.022 1.887 1.00 0.00 H new ATOM 697 N ALA A 46 11.455 -0.499 0.056 1.00 0.00 N ATOM 698 CA ALA A 46 10.590 -1.298 -0.800 1.00 0.00 C ATOM 699 C ALA A 46 10.435 -0.605 -2.159 1.00 0.00 C ATOM 700 O ALA A 46 10.011 0.556 -2.236 1.00 0.00 O ATOM 701 CB ALA A 46 9.236 -1.542 -0.147 1.00 0.00 C ATOM 0 H ALA A 46 10.957 0.022 0.778 1.00 0.00 H new ATOM 0 HA ALA A 46 11.050 -2.274 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.614 -2.141 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.377 -2.073 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.747 -0.587 0.044 1.00 0.00 H new ATOM 707 N ASP A 47 10.767 -1.314 -3.234 1.00 0.00 N ATOM 708 CA ASP A 47 10.706 -0.847 -4.619 1.00 0.00 C ATOM 709 C ASP A 47 9.264 -0.513 -5.057 1.00 0.00 C ATOM 710 O ASP A 47 8.318 -1.137 -4.571 1.00 0.00 O ATOM 711 CB ASP A 47 11.322 -1.922 -5.533 1.00 0.00 C ATOM 712 CG ASP A 47 12.626 -1.444 -6.164 1.00 0.00 C ATOM 713 OD1 ASP A 47 13.638 -1.323 -5.439 1.00 0.00 O ATOM 714 OD2 ASP A 47 12.636 -1.226 -7.397 1.00 0.00 O ATOM 0 H ASP A 47 11.102 -2.275 -3.162 1.00 0.00 H new ATOM 0 HA ASP A 47 11.275 0.079 -4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.507 -2.828 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.612 -2.183 -6.318 1.00 0.00 H new ATOM 719 N PRO A 48 9.060 0.403 -6.026 1.00 0.00 N ATOM 720 CA PRO A 48 7.731 0.803 -6.494 1.00 0.00 C ATOM 721 C PRO A 48 6.934 -0.343 -7.129 1.00 0.00 C ATOM 722 O PRO A 48 5.835 -0.657 -6.658 1.00 0.00 O ATOM 723 CB PRO A 48 7.966 1.971 -7.462 1.00 0.00 C ATOM 724 CG PRO A 48 9.408 1.792 -7.930 1.00 0.00 C ATOM 725 CD PRO A 48 10.081 1.202 -6.694 1.00 0.00 C ATOM 0 HA PRO A 48 7.105 1.104 -5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.269 1.939 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.825 2.932 -6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.477 1.124 -8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.860 2.739 -8.226 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.938 0.588 -6.971 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.452 1.989 -6.038 1.00 0.00 H new ATOM 733 N LYS A 49 7.480 -0.985 -8.178 1.00 0.00 N ATOM 734 CA LYS A 49 6.785 -2.089 -8.846 1.00 0.00 C ATOM 735 C LYS A 49 6.448 -3.187 -7.851 1.00 0.00 C ATOM 736 O LYS A 49 5.368 -3.761 -7.917 1.00 0.00 O ATOM 737 CB LYS A 49 7.580 -2.698 -10.005 1.00 0.00 C ATOM 738 CG LYS A 49 7.653 -1.766 -11.219 1.00 0.00 C ATOM 739 CD LYS A 49 8.212 -2.503 -12.442 1.00 0.00 C ATOM 740 CE LYS A 49 9.716 -2.717 -12.316 1.00 0.00 C ATOM 741 NZ LYS A 49 10.253 -3.472 -13.461 1.00 0.00 N ATOM 0 H LYS A 49 8.392 -0.758 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 49 5.876 -1.657 -9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.590 -2.929 -9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.120 -3.641 -10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.660 -1.379 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.284 -0.908 -10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.713 -3.466 -12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.998 -1.930 -13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.217 -1.751 -12.249 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.932 -3.253 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.278 -3.599 -13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.792 -4.403 -13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.069 -2.948 -14.340 1.00 0.00 H new ATOM 755 N ALA A 50 7.380 -3.484 -6.944 1.00 0.00 N ATOM 756 CA ALA A 50 7.192 -4.507 -5.937 1.00 0.00 C ATOM 757 C ALA A 50 5.959 -4.182 -5.084 1.00 0.00 C ATOM 758 O ALA A 50 5.134 -5.066 -4.856 1.00 0.00 O ATOM 759 CB ALA A 50 8.472 -4.644 -5.115 1.00 0.00 C ATOM 0 H ALA A 50 8.285 -3.016 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 50 7.000 -5.474 -6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.336 -5.413 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.297 -4.923 -5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.698 -3.693 -4.632 1.00 0.00 H new ATOM 765 N LEU A 51 5.801 -2.922 -4.664 1.00 0.00 N ATOM 766 CA LEU A 51 4.666 -2.484 -3.858 1.00 0.00 C ATOM 767 C LEU A 51 3.355 -2.652 -4.613 1.00 0.00 C ATOM 768 O LEU A 51 2.444 -3.307 -4.099 1.00 0.00 O ATOM 769 CB LEU A 51 4.820 -1.005 -3.443 1.00 0.00 C ATOM 770 CG LEU A 51 4.904 -0.841 -1.921 1.00 0.00 C ATOM 771 CD1 LEU A 51 6.232 -1.402 -1.417 1.00 0.00 C ATOM 772 CD2 LEU A 51 4.807 0.644 -1.562 1.00 0.00 C ATOM 0 H LEU A 51 6.463 -2.176 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 51 4.647 -3.110 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.718 -0.591 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.974 -0.432 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 51 4.082 -1.383 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.289 -1.284 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.300 -2.460 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.056 -0.863 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.867 0.761 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.628 1.186 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.857 1.043 -1.918 1.00 0.00 H new ATOM 784 N VAL A 52 3.253 -2.075 -5.820 1.00 0.00 N ATOM 785 CA VAL A 52 2.009 -2.182 -6.588 1.00 0.00 C ATOM 786 C VAL A 52 1.668 -3.646 -6.881 1.00 0.00 C ATOM 787 O VAL A 52 0.495 -4.023 -6.878 1.00 0.00 O ATOM 788 CB VAL A 52 1.988 -1.280 -7.839 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.139 0.192 -7.441 1.00 0.00 C ATOM 790 CG2 VAL A 52 3.071 -1.603 -8.867 1.00 0.00 C ATOM 0 H VAL A 52 3.996 -1.544 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 52 1.207 -1.792 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 52 1.023 -1.473 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.122 0.814 -8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.317 0.478 -6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.086 0.333 -6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.984 -0.922 -9.714 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.053 -1.488 -8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.950 -2.629 -9.213 1.00 0.00 H new ATOM 800 N GLN A 53 2.668 -4.493 -7.120 1.00 0.00 N ATOM 801 CA GLN A 53 2.451 -5.903 -7.393 1.00 0.00 C ATOM 802 C GLN A 53 2.009 -6.630 -6.123 1.00 0.00 C ATOM 803 O GLN A 53 1.136 -7.489 -6.212 1.00 0.00 O ATOM 804 CB GLN A 53 3.707 -6.499 -8.044 1.00 0.00 C ATOM 805 CG GLN A 53 3.853 -5.994 -9.495 1.00 0.00 C ATOM 806 CD GLN A 53 2.905 -6.752 -10.416 1.00 0.00 C ATOM 807 OE1 GLN A 53 3.249 -7.832 -10.897 1.00 0.00 O ATOM 808 NE2 GLN A 53 1.694 -6.266 -10.632 1.00 0.00 N ATOM 0 H GLN A 53 3.650 -4.216 -7.129 1.00 0.00 H new ATOM 0 HA GLN A 53 1.637 -6.031 -8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.589 -6.224 -7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.647 -7.587 -8.035 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.638 -4.926 -9.539 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.881 -6.126 -9.832 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.424 -5.370 -10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.030 -6.787 -11.204 1.00 0.00 H new ATOM 817 N ALA A 54 2.552 -6.285 -4.952 1.00 0.00 N ATOM 818 CA ALA A 54 2.160 -6.921 -3.702 1.00 0.00 C ATOM 819 C ALA A 54 0.685 -6.613 -3.418 1.00 0.00 C ATOM 820 O ALA A 54 -0.051 -7.503 -2.998 1.00 0.00 O ATOM 821 CB ALA A 54 3.074 -6.469 -2.560 1.00 0.00 C ATOM 0 H ALA A 54 3.267 -5.565 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 54 2.271 -8.002 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.766 -6.954 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.104 -6.743 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.003 -5.388 -2.444 1.00 0.00 H new ATOM 827 N VAL A 55 0.238 -5.369 -3.641 1.00 0.00 N ATOM 828 CA VAL A 55 -1.170 -5.033 -3.413 1.00 0.00 C ATOM 829 C VAL A 55 -2.063 -5.656 -4.500 1.00 0.00 C ATOM 830 O VAL A 55 -3.204 -6.009 -4.197 1.00 0.00 O ATOM 831 CB VAL A 55 -1.416 -3.535 -3.163 1.00 0.00 C ATOM 832 CG1 VAL A 55 -0.721 -3.077 -1.872 1.00 0.00 C ATOM 833 CG2 VAL A 55 -0.952 -2.642 -4.300 1.00 0.00 C ATOM 0 H VAL A 55 0.817 -4.597 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.467 -5.491 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.498 -3.432 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.908 -2.015 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.113 -3.643 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.352 -3.248 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.158 -1.601 -4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.119 -2.774 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.484 -2.910 -5.213 1.00 0.00 H new ATOM 843 N GLU A 56 -1.575 -5.800 -5.744 1.00 0.00 N ATOM 844 CA GLU A 56 -2.315 -6.393 -6.866 1.00 0.00 C ATOM 845 C GLU A 56 -2.798 -7.818 -6.560 1.00 0.00 C ATOM 846 O GLU A 56 -3.802 -8.240 -7.140 1.00 0.00 O ATOM 847 CB GLU A 56 -1.448 -6.345 -8.138 1.00 0.00 C ATOM 848 CG GLU A 56 -2.133 -6.774 -9.448 1.00 0.00 C ATOM 849 CD GLU A 56 -1.571 -8.076 -10.037 1.00 0.00 C ATOM 850 OE1 GLU A 56 -0.399 -8.107 -10.482 1.00 0.00 O ATOM 851 OE2 GLU A 56 -2.320 -9.073 -10.157 1.00 0.00 O ATOM 0 H GLU A 56 -0.634 -5.500 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.216 -5.802 -7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.079 -5.327 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.577 -6.982 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.201 -6.898 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.025 -5.976 -10.183 1.00 0.00 H new ATOM 858 N GLU A 57 -2.158 -8.533 -5.625 1.00 0.00 N ATOM 859 CA GLU A 57 -2.552 -9.892 -5.246 1.00 0.00 C ATOM 860 C GLU A 57 -3.977 -9.890 -4.676 1.00 0.00 C ATOM 861 O GLU A 57 -4.693 -10.888 -4.785 1.00 0.00 O ATOM 862 CB GLU A 57 -1.572 -10.487 -4.216 1.00 0.00 C ATOM 863 CG GLU A 57 -0.144 -10.577 -4.764 1.00 0.00 C ATOM 864 CD GLU A 57 0.811 -11.345 -3.848 1.00 0.00 C ATOM 865 OE1 GLU A 57 1.187 -10.846 -2.756 1.00 0.00 O ATOM 866 OE2 GLU A 57 1.334 -12.400 -4.276 1.00 0.00 O ATOM 0 H GLU A 57 -1.350 -8.182 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.525 -10.514 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.576 -9.873 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.912 -11.481 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.167 -11.061 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.243 -9.569 -4.917 1.00 0.00 H new ATOM 873 N GLU A 58 -4.387 -8.772 -4.063 1.00 0.00 N ATOM 874 CA GLU A 58 -5.705 -8.565 -3.472 1.00 0.00 C ATOM 875 C GLU A 58 -6.709 -8.052 -4.513 1.00 0.00 C ATOM 876 O GLU A 58 -7.909 -8.042 -4.236 1.00 0.00 O ATOM 877 CB GLU A 58 -5.622 -7.566 -2.316 1.00 0.00 C ATOM 878 CG GLU A 58 -4.757 -8.024 -1.136 1.00 0.00 C ATOM 879 CD GLU A 58 -5.298 -9.239 -0.377 1.00 0.00 C ATOM 880 OE1 GLU A 58 -6.527 -9.329 -0.154 1.00 0.00 O ATOM 881 OE2 GLU A 58 -4.474 -10.063 0.082 1.00 0.00 O ATOM 0 H GLU A 58 -3.781 -7.957 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.051 -9.529 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.226 -6.624 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.630 -7.365 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.759 -8.259 -1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.652 -7.194 -0.437 1.00 0.00 H new ATOM 888 N GLY A 59 -6.241 -7.602 -5.680 1.00 0.00 N ATOM 889 CA GLY A 59 -7.059 -7.104 -6.775 1.00 0.00 C ATOM 890 C GLY A 59 -7.526 -5.656 -6.637 1.00 0.00 C ATOM 891 O GLY A 59 -8.728 -5.411 -6.510 1.00 0.00 O ATOM 0 H GLY A 59 -5.243 -7.576 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.493 -7.199 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.936 -7.744 -6.871 1.00 0.00 H new ATOM 895 N TYR A 60 -6.590 -4.701 -6.682 1.00 0.00 N ATOM 896 CA TYR A 60 -6.816 -3.251 -6.603 1.00 0.00 C ATOM 897 C TYR A 60 -5.879 -2.557 -7.603 1.00 0.00 C ATOM 898 O TYR A 60 -5.004 -3.214 -8.181 1.00 0.00 O ATOM 899 CB TYR A 60 -6.591 -2.708 -5.184 1.00 0.00 C ATOM 900 CG TYR A 60 -7.427 -3.359 -4.097 1.00 0.00 C ATOM 901 CD1 TYR A 60 -8.832 -3.262 -4.106 1.00 0.00 C ATOM 902 CD2 TYR A 60 -6.786 -4.071 -3.068 1.00 0.00 C ATOM 903 CE1 TYR A 60 -9.585 -3.889 -3.098 1.00 0.00 C ATOM 904 CE2 TYR A 60 -7.528 -4.664 -2.033 1.00 0.00 C ATOM 905 CZ TYR A 60 -8.937 -4.586 -2.056 1.00 0.00 C ATOM 906 OH TYR A 60 -9.681 -5.212 -1.107 1.00 0.00 O ATOM 0 H TYR A 60 -5.601 -4.930 -6.780 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.856 -3.044 -6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.538 -2.829 -4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.798 -1.638 -5.186 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.330 -2.706 -4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.710 -4.163 -3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.664 -3.837 -3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.024 -5.175 -1.226 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.087 -5.647 -0.460 1.00 0.00 H new ATOM 916 N LYS A 61 -6.046 -1.253 -7.851 1.00 0.00 N ATOM 917 CA LYS A 61 -5.211 -0.498 -8.791 1.00 0.00 C ATOM 918 C LYS A 61 -4.278 0.395 -8.000 1.00 0.00 C ATOM 919 O LYS A 61 -4.759 1.378 -7.441 1.00 0.00 O ATOM 920 CB LYS A 61 -6.076 0.356 -9.727 1.00 0.00 C ATOM 921 CG LYS A 61 -7.020 -0.505 -10.562 1.00 0.00 C ATOM 922 CD LYS A 61 -7.833 0.372 -11.514 1.00 0.00 C ATOM 923 CE LYS A 61 -8.725 -0.521 -12.371 1.00 0.00 C ATOM 924 NZ LYS A 61 -7.962 -1.227 -13.423 1.00 0.00 N ATOM 0 H LYS A 61 -6.768 -0.689 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.639 -1.196 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.656 1.067 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.433 0.938 -10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.448 -1.238 -11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.690 -1.062 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.440 1.079 -10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.167 0.958 -12.147 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.224 -1.251 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.505 0.084 -12.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.622 -1.713 -14.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.398 -0.540 -13.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.328 -1.925 -12.983 1.00 0.00 H new ATOM 938 N ALA A 62 -2.992 0.060 -7.898 1.00 0.00 N ATOM 939 CA ALA A 62 -2.031 0.870 -7.160 1.00 0.00 C ATOM 940 C ALA A 62 -1.002 1.458 -8.111 1.00 0.00 C ATOM 941 O ALA A 62 -0.693 0.866 -9.142 1.00 0.00 O ATOM 942 CB ALA A 62 -1.389 0.045 -6.060 1.00 0.00 C ATOM 0 H ALA A 62 -2.592 -0.776 -8.323 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.547 1.704 -6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.673 0.660 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.159 -0.309 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.874 -0.809 -6.499 1.00 0.00 H new ATOM 948 N GLU A 63 -0.490 2.636 -7.758 1.00 0.00 N ATOM 949 CA GLU A 63 0.490 3.413 -8.502 1.00 0.00 C ATOM 950 C GLU A 63 1.339 4.207 -7.505 1.00 0.00 C ATOM 951 O GLU A 63 0.946 4.369 -6.350 1.00 0.00 O ATOM 952 CB GLU A 63 -0.246 4.384 -9.441 1.00 0.00 C ATOM 953 CG GLU A 63 -1.143 3.653 -10.453 1.00 0.00 C ATOM 954 CD GLU A 63 -1.902 4.566 -11.400 1.00 0.00 C ATOM 955 OE1 GLU A 63 -1.801 5.813 -11.312 1.00 0.00 O ATOM 956 OE2 GLU A 63 -2.657 4.040 -12.245 1.00 0.00 O ATOM 0 H GLU A 63 -0.768 3.098 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 63 1.128 2.755 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.854 5.068 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.484 4.990 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.526 2.973 -11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.860 3.041 -9.907 1.00 0.00 H new ATOM 963 N VAL A 64 2.469 4.762 -7.936 1.00 0.00 N ATOM 964 CA VAL A 64 3.362 5.540 -7.075 1.00 0.00 C ATOM 965 C VAL A 64 3.465 6.983 -7.549 1.00 0.00 C ATOM 966 O VAL A 64 3.229 7.271 -8.730 1.00 0.00 O ATOM 967 CB VAL A 64 4.764 4.892 -7.027 1.00 0.00 C ATOM 968 CG1 VAL A 64 4.695 3.512 -6.358 1.00 0.00 C ATOM 969 CG2 VAL A 64 5.443 4.819 -8.403 1.00 0.00 C ATOM 0 H VAL A 64 2.795 4.685 -8.899 1.00 0.00 H new ATOM 0 HA VAL A 64 2.940 5.543 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 64 5.394 5.543 -6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.691 3.070 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.320 3.619 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.025 2.866 -6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.424 4.354 -8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.829 4.226 -9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.559 5.825 -8.805 1.00 0.00 H new ATOM 979 N LEU A 65 3.786 7.888 -6.617 1.00 0.00 N ATOM 980 CA LEU A 65 3.981 9.292 -6.939 1.00 0.00 C ATOM 981 C LEU A 65 5.353 9.309 -7.600 1.00 0.00 C ATOM 982 O LEU A 65 6.362 9.050 -6.931 1.00 0.00 O ATOM 983 CB LEU A 65 3.961 10.202 -5.695 1.00 0.00 C ATOM 984 CG LEU A 65 4.512 11.618 -5.988 1.00 0.00 C ATOM 985 CD1 LEU A 65 3.621 12.357 -6.988 1.00 0.00 C ATOM 986 CD2 LEU A 65 4.637 12.450 -4.710 1.00 0.00 C ATOM 0 H LEU A 65 3.915 7.663 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 65 3.181 9.679 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.939 10.283 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.552 9.742 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 65 5.505 11.488 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.031 13.349 -7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.581 11.797 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.615 12.451 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.027 13.438 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.656 12.552 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.317 11.953 -4.018 1.00 0.00 H new ATOM 998 N ALA A 66 5.378 9.490 -8.912 1.00 0.00 N ATOM 999 CA ALA A 66 6.610 9.545 -9.661 1.00 0.00 C ATOM 1000 C ALA A 66 7.289 10.857 -9.340 1.00 0.00 C ATOM 1001 O ALA A 66 6.610 11.904 -9.439 1.00 0.00 O ATOM 1002 CB ALA A 66 6.305 9.451 -11.145 1.00 0.00 C ATOM 0 H ALA A 66 4.540 9.602 -9.482 1.00 0.00 H new ATOM 0 HA ALA A 66 7.265 8.715 -9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.236 9.493 -11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.796 8.510 -11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.665 10.283 -11.438 1.00 0.00 H new TER 1008 ALA A 66