USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.42 (180deg=2.2) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= 0.947 (180deg=0.742) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= -0.0265 (180deg=-0.251) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0753 USER MOD Single : A 11 CYS SG : rot 31:sc= 0.0263 USER MOD Single : A 12 ASN : amide:sc= -0.0236 K(o=-0.024,f=-3.2!) USER MOD Single : A 13 HIS : no HD1:sc= -0.068 X(o=-0.068,f=0) USER MOD Single : A 14 CYS SG : rot 46:sc= 1.09 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 71:sc= 0.148 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+ -159:sc= 1.19 (180deg=0.855) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 160:sc=-0.00129 USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0154) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.841 K(o=0.84,f=-0.066) USER MOD Single : A 60 TYR OH : rot 70:sc= -0.538 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.005 8.077 2.533 1.00 0.00 N ATOM 2 CA MET A 1 9.969 8.141 1.420 1.00 0.00 C ATOM 3 C MET A 1 9.246 8.103 0.087 1.00 0.00 C ATOM 4 O MET A 1 9.415 9.029 -0.704 1.00 0.00 O ATOM 5 CB MET A 1 11.042 7.037 1.469 1.00 0.00 C ATOM 6 CG MET A 1 12.129 7.234 0.414 1.00 0.00 C ATOM 7 SD MET A 1 12.979 8.831 0.496 1.00 0.00 S ATOM 8 CE MET A 1 14.262 8.475 -0.726 1.00 0.00 C ATOM 0 H1 MET A 1 9.485 8.323 3.422 1.00 0.00 H new ATOM 0 H2 MET A 1 8.230 8.749 2.360 1.00 0.00 H new ATOM 0 H3 MET A 1 8.619 7.114 2.603 1.00 0.00 H new ATOM 0 HA MET A 1 10.494 9.090 1.531 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.499 7.022 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.568 6.067 1.322 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.867 6.439 0.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.682 7.126 -0.574 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.912 9.343 -0.835 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.852 7.620 -0.396 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.798 8.247 -1.685 1.00 0.00 H new ATOM 18 N LEU A 2 8.521 7.020 -0.206 1.00 0.00 N ATOM 19 CA LEU A 2 7.784 6.841 -1.451 1.00 0.00 C ATOM 20 C LEU A 2 6.310 6.671 -1.101 1.00 0.00 C ATOM 21 O LEU A 2 5.985 6.267 0.023 1.00 0.00 O ATOM 22 CB LEU A 2 8.294 5.603 -2.213 1.00 0.00 C ATOM 23 CG LEU A 2 9.806 5.531 -2.491 1.00 0.00 C ATOM 24 CD1 LEU A 2 10.124 4.222 -3.221 1.00 0.00 C ATOM 25 CD2 LEU A 2 10.305 6.713 -3.323 1.00 0.00 C ATOM 0 H LEU A 2 8.431 6.229 0.432 1.00 0.00 H new ATOM 0 HA LEU A 2 7.927 7.708 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.010 4.716 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.771 5.553 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 2 10.319 5.571 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.194 4.167 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.827 3.377 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.578 4.189 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.377 6.613 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.788 6.727 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.106 7.643 -2.790 1.00 0.00 H new ATOM 37 N LYS A 3 5.427 6.886 -2.074 1.00 0.00 N ATOM 38 CA LYS A 3 3.988 6.778 -1.894 1.00 0.00 C ATOM 39 C LYS A 3 3.415 5.759 -2.865 1.00 0.00 C ATOM 40 O LYS A 3 3.828 5.679 -4.023 1.00 0.00 O ATOM 41 CB LYS A 3 3.408 8.181 -2.097 1.00 0.00 C ATOM 42 CG LYS A 3 1.877 8.223 -2.121 1.00 0.00 C ATOM 43 CD LYS A 3 1.399 9.650 -2.381 1.00 0.00 C ATOM 44 CE LYS A 3 1.559 10.555 -1.159 1.00 0.00 C ATOM 45 NZ LYS A 3 0.895 11.848 -1.393 1.00 0.00 N ATOM 0 H LYS A 3 5.699 7.144 -3.023 1.00 0.00 H new ATOM 0 HA LYS A 3 3.728 6.422 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.767 8.831 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.787 8.588 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.499 7.557 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.480 7.865 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.959 10.071 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.351 9.630 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.131 10.072 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.617 10.714 -0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.229 12.542 -0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.120 12.186 -2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.134 11.732 -1.300 1.00 0.00 H new ATOM 59 N LEU A 4 2.465 4.965 -2.382 1.00 0.00 N ATOM 60 CA LEU A 4 1.769 3.937 -3.137 1.00 0.00 C ATOM 61 C LEU A 4 0.296 4.302 -3.041 1.00 0.00 C ATOM 62 O LEU A 4 -0.279 4.303 -1.949 1.00 0.00 O ATOM 63 CB LEU A 4 2.062 2.548 -2.550 1.00 0.00 C ATOM 64 CG LEU A 4 1.337 1.418 -3.309 1.00 0.00 C ATOM 65 CD1 LEU A 4 2.052 1.076 -4.621 1.00 0.00 C ATOM 66 CD2 LEU A 4 1.265 0.181 -2.410 1.00 0.00 C ATOM 0 H LEU A 4 2.148 5.025 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 4 2.091 3.890 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.136 2.366 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.760 2.529 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 4 0.332 1.755 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.515 0.276 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.081 1.958 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.070 0.750 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.754 -0.624 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.274 -0.139 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.716 0.424 -1.500 1.00 0.00 H new ATOM 78 N LYS A 5 -0.291 4.707 -4.159 1.00 0.00 N ATOM 79 CA LYS A 5 -1.692 5.079 -4.220 1.00 0.00 C ATOM 80 C LYS A 5 -2.459 3.801 -4.527 1.00 0.00 C ATOM 81 O LYS A 5 -2.132 3.114 -5.504 1.00 0.00 O ATOM 82 CB LYS A 5 -1.873 6.161 -5.286 1.00 0.00 C ATOM 83 CG LYS A 5 -3.221 6.860 -5.111 1.00 0.00 C ATOM 84 CD LYS A 5 -3.464 7.880 -6.231 1.00 0.00 C ATOM 85 CE LYS A 5 -4.031 7.256 -7.511 1.00 0.00 C ATOM 86 NZ LYS A 5 -5.372 6.644 -7.326 1.00 0.00 N ATOM 0 H LYS A 5 0.196 4.786 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.066 5.502 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.066 6.890 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.813 5.716 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.021 6.119 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.251 7.363 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.153 8.645 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.525 8.382 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.093 8.023 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.339 6.495 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.813 6.487 -8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.273 5.735 -6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.970 7.282 -6.763 1.00 0.00 H new ATOM 100 N VAL A 6 -3.465 3.480 -3.720 1.00 0.00 N ATOM 101 CA VAL A 6 -4.279 2.285 -3.881 1.00 0.00 C ATOM 102 C VAL A 6 -5.712 2.736 -4.154 1.00 0.00 C ATOM 103 O VAL A 6 -6.190 3.718 -3.585 1.00 0.00 O ATOM 104 CB VAL A 6 -4.146 1.388 -2.630 1.00 0.00 C ATOM 105 CG1 VAL A 6 -4.837 0.036 -2.864 1.00 0.00 C ATOM 106 CG2 VAL A 6 -2.674 1.111 -2.263 1.00 0.00 C ATOM 0 H VAL A 6 -3.740 4.054 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.947 1.677 -4.722 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.619 1.930 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.734 -0.584 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.894 0.199 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.373 -0.468 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.633 0.477 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.181 0.607 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.167 2.054 -2.058 1.00 0.00 H new ATOM 116 N GLU A 7 -6.412 2.035 -5.039 1.00 0.00 N ATOM 117 CA GLU A 7 -7.782 2.365 -5.377 1.00 0.00 C ATOM 118 C GLU A 7 -8.547 1.059 -5.551 1.00 0.00 C ATOM 119 O GLU A 7 -8.424 0.361 -6.561 1.00 0.00 O ATOM 120 CB GLU A 7 -7.787 3.317 -6.577 1.00 0.00 C ATOM 121 CG GLU A 7 -9.120 4.047 -6.735 1.00 0.00 C ATOM 122 CD GLU A 7 -8.987 5.144 -7.789 1.00 0.00 C ATOM 123 OE1 GLU A 7 -8.348 6.187 -7.506 1.00 0.00 O ATOM 124 OE2 GLU A 7 -9.514 4.928 -8.905 1.00 0.00 O ATOM 0 H GLU A 7 -6.043 1.226 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.302 2.913 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.987 4.048 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.574 2.753 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.899 3.342 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.423 4.480 -5.782 1.00 0.00 H new ATOM 131 N GLY A 8 -9.261 0.679 -4.499 1.00 0.00 N ATOM 132 CA GLY A 8 -10.084 -0.508 -4.398 1.00 0.00 C ATOM 133 C GLY A 8 -11.551 -0.139 -4.611 1.00 0.00 C ATOM 134 O GLY A 8 -11.882 0.917 -5.161 1.00 0.00 O ATOM 0 H GLY A 8 -9.278 1.231 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.772 -1.242 -5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.954 -0.970 -3.419 1.00 0.00 H new ATOM 138 N MET A 9 -12.435 -1.040 -4.197 1.00 0.00 N ATOM 139 CA MET A 9 -13.889 -0.910 -4.252 1.00 0.00 C ATOM 140 C MET A 9 -14.442 -1.117 -2.825 1.00 0.00 C ATOM 141 O MET A 9 -15.650 -1.215 -2.602 1.00 0.00 O ATOM 142 CB MET A 9 -14.463 -1.863 -5.320 1.00 0.00 C ATOM 143 CG MET A 9 -15.963 -1.638 -5.543 1.00 0.00 C ATOM 144 SD MET A 9 -16.726 -2.563 -6.894 1.00 0.00 S ATOM 145 CE MET A 9 -18.421 -2.512 -6.250 1.00 0.00 C ATOM 0 H MET A 9 -12.142 -1.929 -3.792 1.00 0.00 H new ATOM 0 HA MET A 9 -14.202 0.084 -4.570 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.931 -1.717 -6.260 1.00 0.00 H new ATOM 0 HB3 MET A 9 -14.293 -2.895 -5.014 1.00 0.00 H new ATOM 0 HG2 MET A 9 -16.486 -1.888 -4.620 1.00 0.00 H new ATOM 0 HG3 MET A 9 -16.125 -0.575 -5.723 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.087 -3.035 -6.937 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.454 -2.996 -5.274 1.00 0.00 H new ATOM 0 HE3 MET A 9 -18.742 -1.475 -6.152 1.00 0.00 H new ATOM 155 N THR A 10 -13.563 -1.197 -1.830 1.00 0.00 N ATOM 156 CA THR A 10 -13.826 -1.391 -0.415 1.00 0.00 C ATOM 157 C THR A 10 -13.041 -0.317 0.351 1.00 0.00 C ATOM 158 O THR A 10 -12.286 0.443 -0.256 1.00 0.00 O ATOM 159 CB THR A 10 -13.419 -2.834 -0.038 1.00 0.00 C ATOM 160 OG1 THR A 10 -12.209 -3.228 -0.660 1.00 0.00 O ATOM 161 CG2 THR A 10 -14.487 -3.841 -0.456 1.00 0.00 C ATOM 0 H THR A 10 -12.563 -1.121 -2.014 1.00 0.00 H new ATOM 0 HA THR A 10 -14.880 -1.281 -0.160 1.00 0.00 H new ATOM 0 HB THR A 10 -13.296 -2.829 1.045 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.988 -4.145 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.169 -4.845 -0.176 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.426 -3.605 0.045 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.630 -3.793 -1.536 1.00 0.00 H new ATOM 169 N CYS A 11 -13.223 -0.227 1.671 1.00 0.00 N ATOM 170 CA CYS A 11 -12.524 0.748 2.502 1.00 0.00 C ATOM 171 C CYS A 11 -12.131 0.067 3.804 1.00 0.00 C ATOM 172 O CYS A 11 -10.997 -0.385 3.942 1.00 0.00 O ATOM 173 CB CYS A 11 -13.393 1.998 2.691 1.00 0.00 C ATOM 174 SG CYS A 11 -12.645 3.122 3.901 1.00 0.00 S ATOM 0 H CYS A 11 -13.860 -0.830 2.191 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.608 1.098 2.025 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -13.513 2.511 1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -14.389 1.707 3.025 1.00 0.00 H new ATOM 0 HG CYS A 11 -11.350 3.014 3.851 1.00 0.00 H new ATOM 180 N ASN A 12 -13.093 -0.110 4.719 1.00 0.00 N ATOM 181 CA ASN A 12 -12.853 -0.755 6.011 1.00 0.00 C ATOM 182 C ASN A 12 -12.233 -2.150 5.861 1.00 0.00 C ATOM 183 O ASN A 12 -11.492 -2.579 6.750 1.00 0.00 O ATOM 184 CB ASN A 12 -14.111 -0.759 6.896 1.00 0.00 C ATOM 185 CG ASN A 12 -15.352 -1.380 6.264 1.00 0.00 C ATOM 186 OD1 ASN A 12 -15.301 -2.352 5.512 1.00 0.00 O ATOM 187 ND2 ASN A 12 -16.502 -0.777 6.489 1.00 0.00 N ATOM 0 H ASN A 12 -14.058 0.191 4.582 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.111 -0.149 6.531 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -13.885 -1.296 7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -14.342 0.269 7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.352 -1.116 6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.542 0.029 7.113 1.00 0.00 H new ATOM 194 N HIS A 13 -12.503 -2.847 4.755 1.00 0.00 N ATOM 195 CA HIS A 13 -11.938 -4.157 4.477 1.00 0.00 C ATOM 196 C HIS A 13 -10.656 -3.998 3.643 1.00 0.00 C ATOM 197 O HIS A 13 -9.703 -4.752 3.828 1.00 0.00 O ATOM 198 CB HIS A 13 -12.971 -5.040 3.767 1.00 0.00 C ATOM 199 CG HIS A 13 -12.493 -6.462 3.646 1.00 0.00 C ATOM 200 ND1 HIS A 13 -12.308 -7.173 2.480 1.00 0.00 N ATOM 201 CD2 HIS A 13 -12.096 -7.258 4.688 1.00 0.00 C ATOM 202 CE1 HIS A 13 -11.812 -8.374 2.814 1.00 0.00 C ATOM 203 NE2 HIS A 13 -11.659 -8.469 4.147 1.00 0.00 N ATOM 0 H HIS A 13 -13.128 -2.509 4.023 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.675 -4.650 5.413 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.911 -5.017 4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.174 -4.638 2.774 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -12.117 -6.997 5.736 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -11.569 -9.156 2.110 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.295 -9.270 4.663 1.00 0.00 H new ATOM 211 N CYS A 14 -10.622 -3.001 2.746 1.00 0.00 N ATOM 212 CA CYS A 14 -9.496 -2.705 1.870 1.00 0.00 C ATOM 213 C CYS A 14 -8.225 -2.513 2.685 1.00 0.00 C ATOM 214 O CYS A 14 -7.244 -3.222 2.470 1.00 0.00 O ATOM 215 CB CYS A 14 -9.791 -1.470 0.999 1.00 0.00 C ATOM 216 SG CYS A 14 -8.508 -1.213 -0.257 1.00 0.00 S ATOM 0 H CYS A 14 -11.406 -2.363 2.612 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.345 -3.553 1.202 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.758 -1.591 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.862 -0.586 1.633 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.237 -2.344 -0.838 1.00 0.00 H new ATOM 222 N VAL A 15 -8.265 -1.612 3.666 1.00 0.00 N ATOM 223 CA VAL A 15 -7.135 -1.287 4.522 1.00 0.00 C ATOM 224 C VAL A 15 -6.503 -2.537 5.158 1.00 0.00 C ATOM 225 O VAL A 15 -5.279 -2.613 5.253 1.00 0.00 O ATOM 226 CB VAL A 15 -7.592 -0.224 5.544 1.00 0.00 C ATOM 227 CG1 VAL A 15 -8.579 -0.815 6.560 1.00 0.00 C ATOM 228 CG2 VAL A 15 -6.410 0.438 6.261 1.00 0.00 C ATOM 0 H VAL A 15 -9.105 -1.078 3.889 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.326 -0.863 3.927 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.105 0.553 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.882 -0.041 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.457 -1.193 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.100 -1.631 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.782 1.178 6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.838 -0.320 6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.768 0.928 5.529 1.00 0.00 H new ATOM 238 N MET A 16 -7.298 -3.535 5.567 1.00 0.00 N ATOM 239 CA MET A 16 -6.794 -4.759 6.190 1.00 0.00 C ATOM 240 C MET A 16 -5.900 -5.512 5.215 1.00 0.00 C ATOM 241 O MET A 16 -4.772 -5.886 5.566 1.00 0.00 O ATOM 242 CB MET A 16 -7.954 -5.638 6.676 1.00 0.00 C ATOM 243 CG MET A 16 -8.737 -4.960 7.803 1.00 0.00 C ATOM 244 SD MET A 16 -7.862 -4.897 9.390 1.00 0.00 S ATOM 245 CE MET A 16 -8.457 -6.439 10.136 1.00 0.00 C ATOM 0 H MET A 16 -8.313 -3.512 5.473 1.00 0.00 H new ATOM 0 HA MET A 16 -6.197 -4.490 7.062 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.624 -5.851 5.843 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.565 -6.595 7.026 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.983 -3.943 7.497 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.680 -5.488 7.943 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.014 -6.559 11.125 1.00 0.00 H new ATOM 0 HE2 MET A 16 -9.543 -6.404 10.226 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.172 -7.282 9.506 1.00 0.00 H new ATOM 255 N ALA A 17 -6.396 -5.715 3.992 1.00 0.00 N ATOM 256 CA ALA A 17 -5.667 -6.401 2.943 1.00 0.00 C ATOM 257 C ALA A 17 -4.471 -5.563 2.498 1.00 0.00 C ATOM 258 O ALA A 17 -3.406 -6.118 2.254 1.00 0.00 O ATOM 259 CB ALA A 17 -6.585 -6.664 1.765 1.00 0.00 C ATOM 0 H ALA A 17 -7.324 -5.402 3.708 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.303 -7.353 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.031 -7.180 0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.421 -7.285 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.963 -5.717 1.380 1.00 0.00 H new ATOM 265 N VAL A 18 -4.607 -4.237 2.411 1.00 0.00 N ATOM 266 CA VAL A 18 -3.505 -3.367 2.022 1.00 0.00 C ATOM 267 C VAL A 18 -2.384 -3.586 3.044 1.00 0.00 C ATOM 268 O VAL A 18 -1.242 -3.790 2.639 1.00 0.00 O ATOM 269 CB VAL A 18 -3.989 -1.912 1.845 1.00 0.00 C ATOM 270 CG1 VAL A 18 -2.832 -0.922 1.670 1.00 0.00 C ATOM 271 CG2 VAL A 18 -4.871 -1.810 0.592 1.00 0.00 C ATOM 0 H VAL A 18 -5.478 -3.744 2.607 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.099 -3.610 1.040 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.538 -1.656 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.230 0.085 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.189 -0.955 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.253 -1.191 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.211 -0.782 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.295 -2.108 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.734 -2.467 0.700 1.00 0.00 H new ATOM 281 N THR A 19 -2.672 -3.632 4.352 1.00 0.00 N ATOM 282 CA THR A 19 -1.629 -3.882 5.340 1.00 0.00 C ATOM 283 C THR A 19 -1.068 -5.301 5.132 1.00 0.00 C ATOM 284 O THR A 19 0.142 -5.497 5.236 1.00 0.00 O ATOM 285 CB THR A 19 -2.170 -3.717 6.770 1.00 0.00 C ATOM 286 OG1 THR A 19 -2.679 -2.420 7.010 1.00 0.00 O ATOM 287 CG2 THR A 19 -1.064 -3.954 7.794 1.00 0.00 C ATOM 0 H THR A 19 -3.606 -3.501 4.740 1.00 0.00 H new ATOM 0 HA THR A 19 -0.831 -3.152 5.207 1.00 0.00 H new ATOM 0 HB THR A 19 -2.971 -4.449 6.870 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.519 -2.302 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.467 -3.833 8.799 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.673 -4.965 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.261 -3.234 7.636 1.00 0.00 H new ATOM 295 N LYS A 20 -1.918 -6.292 4.835 1.00 0.00 N ATOM 296 CA LYS A 20 -1.514 -7.683 4.617 1.00 0.00 C ATOM 297 C LYS A 20 -0.455 -7.743 3.519 1.00 0.00 C ATOM 298 O LYS A 20 0.605 -8.339 3.724 1.00 0.00 O ATOM 299 CB LYS A 20 -2.752 -8.528 4.262 1.00 0.00 C ATOM 300 CG LYS A 20 -2.559 -10.037 4.450 1.00 0.00 C ATOM 301 CD LYS A 20 -2.533 -10.515 5.908 1.00 0.00 C ATOM 302 CE LYS A 20 -3.872 -10.209 6.590 1.00 0.00 C ATOM 303 NZ LYS A 20 -3.980 -10.827 7.921 1.00 0.00 N ATOM 0 H LYS A 20 -2.923 -6.145 4.738 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.076 -8.094 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.590 -8.201 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.024 -8.335 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.362 -10.558 3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.625 -10.330 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.335 -11.586 5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.722 -10.023 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.990 -9.129 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.687 -10.566 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.902 -10.591 8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.895 -11.860 7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.220 -10.468 8.533 1.00 0.00 H new ATOM 317 N ALA A 21 -0.726 -7.095 2.388 1.00 0.00 N ATOM 318 CA ALA A 21 0.152 -7.023 1.238 1.00 0.00 C ATOM 319 C ALA A 21 1.424 -6.252 1.591 1.00 0.00 C ATOM 320 O ALA A 21 2.530 -6.757 1.423 1.00 0.00 O ATOM 321 CB ALA A 21 -0.598 -6.291 0.121 1.00 0.00 C ATOM 0 H ALA A 21 -1.600 -6.588 2.249 1.00 0.00 H new ATOM 0 HA ALA A 21 0.436 -8.026 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.040 -6.221 -0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.505 -6.841 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.863 -5.289 0.457 1.00 0.00 H new ATOM 327 N LEU A 22 1.274 -5.053 2.159 1.00 0.00 N ATOM 328 CA LEU A 22 2.379 -4.182 2.549 1.00 0.00 C ATOM 329 C LEU A 22 3.318 -4.845 3.553 1.00 0.00 C ATOM 330 O LEU A 22 4.494 -4.496 3.611 1.00 0.00 O ATOM 331 CB LEU A 22 1.851 -2.854 3.106 1.00 0.00 C ATOM 332 CG LEU A 22 1.243 -1.916 2.044 1.00 0.00 C ATOM 333 CD1 LEU A 22 0.550 -0.737 2.730 1.00 0.00 C ATOM 334 CD2 LEU A 22 2.297 -1.365 1.082 1.00 0.00 C ATOM 0 H LEU A 22 0.358 -4.654 2.364 1.00 0.00 H new ATOM 0 HA LEU A 22 2.960 -3.985 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.095 -3.066 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.667 -2.334 3.608 1.00 0.00 H new ATOM 0 HG LEU A 22 0.530 -2.507 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.122 -0.077 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.243 -1.109 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.277 -0.184 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.818 -0.710 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.042 -0.801 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.783 -2.191 0.563 1.00 0.00 H new ATOM 346 N LYS A 23 2.835 -5.776 4.375 1.00 0.00 N ATOM 347 CA LYS A 23 3.667 -6.468 5.347 1.00 0.00 C ATOM 348 C LYS A 23 4.673 -7.406 4.665 1.00 0.00 C ATOM 349 O LYS A 23 5.688 -7.728 5.281 1.00 0.00 O ATOM 350 CB LYS A 23 2.751 -7.207 6.334 1.00 0.00 C ATOM 351 CG LYS A 23 3.558 -7.968 7.388 1.00 0.00 C ATOM 352 CD LYS A 23 2.702 -8.436 8.561 1.00 0.00 C ATOM 353 CE LYS A 23 3.674 -8.922 9.631 1.00 0.00 C ATOM 354 NZ LYS A 23 3.032 -9.086 10.942 1.00 0.00 N ATOM 0 H LYS A 23 1.858 -6.068 4.383 1.00 0.00 H new ATOM 0 HA LYS A 23 4.269 -5.745 5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.092 -6.491 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.114 -7.904 5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.032 -8.832 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.357 -7.327 7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.082 -7.623 8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.028 -9.236 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.106 -9.873 9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.497 -8.212 9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.734 -9.418 11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.643 -8.174 11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.264 -9.783 10.868 1.00 0.00 H new ATOM 368 N LYS A 24 4.443 -7.828 3.417 1.00 0.00 N ATOM 369 CA LYS A 24 5.334 -8.740 2.697 1.00 0.00 C ATOM 370 C LYS A 24 6.713 -8.149 2.377 1.00 0.00 C ATOM 371 O LYS A 24 7.615 -8.932 2.078 1.00 0.00 O ATOM 372 CB LYS A 24 4.657 -9.236 1.406 1.00 0.00 C ATOM 373 CG LYS A 24 3.365 -10.024 1.668 1.00 0.00 C ATOM 374 CD LYS A 24 2.634 -10.431 0.381 1.00 0.00 C ATOM 375 CE LYS A 24 3.341 -11.574 -0.357 1.00 0.00 C ATOM 376 NZ LYS A 24 2.505 -12.098 -1.456 1.00 0.00 N ATOM 0 H LYS A 24 3.627 -7.543 2.875 1.00 0.00 H new ATOM 0 HA LYS A 24 5.516 -9.575 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.431 -8.380 0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.355 -9.867 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.603 -10.920 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.697 -9.420 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.616 -10.735 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.559 -9.567 -0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.291 -11.220 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.570 -12.377 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.817 -13.059 -1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.510 -12.124 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.598 -11.480 -2.288 1.00 0.00 H new ATOM 390 N VAL A 25 6.897 -6.830 2.470 1.00 0.00 N ATOM 391 CA VAL A 25 8.143 -6.104 2.193 1.00 0.00 C ATOM 392 C VAL A 25 9.363 -6.674 2.948 1.00 0.00 C ATOM 393 O VAL A 25 9.194 -7.322 3.989 1.00 0.00 O ATOM 394 CB VAL A 25 7.929 -4.612 2.545 1.00 0.00 C ATOM 395 CG1 VAL A 25 6.874 -3.945 1.649 1.00 0.00 C ATOM 396 CG2 VAL A 25 7.596 -4.420 4.032 1.00 0.00 C ATOM 0 H VAL A 25 6.143 -6.205 2.755 1.00 0.00 H new ATOM 0 HA VAL A 25 8.373 -6.221 1.134 1.00 0.00 H new ATOM 0 HB VAL A 25 8.877 -4.111 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.761 -2.900 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.192 -4.003 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.920 -4.459 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.453 -3.359 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.682 -4.963 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.416 -4.801 4.641 1.00 0.00 H new ATOM 406 N PRO A 26 10.602 -6.370 2.502 1.00 0.00 N ATOM 407 CA PRO A 26 11.818 -6.854 3.149 1.00 0.00 C ATOM 408 C PRO A 26 11.944 -6.332 4.585 1.00 0.00 C ATOM 409 O PRO A 26 11.729 -7.093 5.532 1.00 0.00 O ATOM 410 CB PRO A 26 12.985 -6.428 2.249 1.00 0.00 C ATOM 411 CG PRO A 26 12.430 -5.267 1.429 1.00 0.00 C ATOM 412 CD PRO A 26 10.954 -5.626 1.292 1.00 0.00 C ATOM 0 HA PRO A 26 11.807 -7.939 3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.849 -6.121 2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.311 -7.247 1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.569 -4.312 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.919 -5.187 0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.342 -4.729 1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.781 -6.228 0.400 1.00 0.00 H new ATOM 420 N GLY A 27 12.218 -5.037 4.767 1.00 0.00 N ATOM 421 CA GLY A 27 12.383 -4.423 6.075 1.00 0.00 C ATOM 422 C GLY A 27 12.126 -2.930 6.042 1.00 0.00 C ATOM 423 O GLY A 27 12.971 -2.157 6.480 1.00 0.00 O ATOM 0 H GLY A 27 12.332 -4.381 3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.700 -4.892 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.394 -4.608 6.437 1.00 0.00 H new ATOM 427 N VAL A 28 10.985 -2.503 5.501 1.00 0.00 N ATOM 428 CA VAL A 28 10.674 -1.082 5.427 1.00 0.00 C ATOM 429 C VAL A 28 10.573 -0.463 6.827 1.00 0.00 C ATOM 430 O VAL A 28 10.981 0.671 7.024 1.00 0.00 O ATOM 431 CB VAL A 28 9.421 -0.875 4.550 1.00 0.00 C ATOM 432 CG1 VAL A 28 8.078 -1.027 5.278 1.00 0.00 C ATOM 433 CG2 VAL A 28 9.438 0.481 3.849 1.00 0.00 C ATOM 0 H VAL A 28 10.269 -3.117 5.112 1.00 0.00 H new ATOM 0 HA VAL A 28 11.489 -0.545 4.942 1.00 0.00 H new ATOM 0 HB VAL A 28 9.485 -1.688 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.262 -0.862 4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.001 -2.032 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.016 -0.295 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.539 0.588 3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.469 1.276 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.318 0.549 3.210 1.00 0.00 H new ATOM 443 N GLU A 29 10.040 -1.202 7.803 1.00 0.00 N ATOM 444 CA GLU A 29 9.822 -0.834 9.204 1.00 0.00 C ATOM 445 C GLU A 29 8.936 0.400 9.457 1.00 0.00 C ATOM 446 O GLU A 29 8.452 0.579 10.579 1.00 0.00 O ATOM 447 CB GLU A 29 11.118 -0.847 10.030 1.00 0.00 C ATOM 448 CG GLU A 29 12.004 0.413 10.013 1.00 0.00 C ATOM 449 CD GLU A 29 12.967 0.404 11.205 1.00 0.00 C ATOM 450 OE1 GLU A 29 13.646 -0.629 11.412 1.00 0.00 O ATOM 451 OE2 GLU A 29 12.965 1.378 11.995 1.00 0.00 O ATOM 0 H GLU A 29 9.723 -2.154 7.618 1.00 0.00 H new ATOM 0 HA GLU A 29 9.199 -1.643 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.850 -1.052 11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.724 -1.685 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.568 0.456 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.379 1.305 10.049 1.00 0.00 H new ATOM 458 N LYS A 30 8.613 1.189 8.434 1.00 0.00 N ATOM 459 CA LYS A 30 7.776 2.380 8.474 1.00 0.00 C ATOM 460 C LYS A 30 6.819 2.314 7.295 1.00 0.00 C ATOM 461 O LYS A 30 7.228 2.539 6.151 1.00 0.00 O ATOM 462 CB LYS A 30 8.635 3.643 8.378 1.00 0.00 C ATOM 463 CG LYS A 30 9.147 4.150 9.727 1.00 0.00 C ATOM 464 CD LYS A 30 9.875 5.475 9.480 1.00 0.00 C ATOM 465 CE LYS A 30 10.458 6.099 10.750 1.00 0.00 C ATOM 466 NZ LYS A 30 9.416 6.693 11.608 1.00 0.00 N ATOM 0 H LYS A 30 8.954 0.997 7.492 1.00 0.00 H new ATOM 0 HA LYS A 30 7.226 2.419 9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.488 3.442 7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.052 4.432 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.319 4.292 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.821 3.422 10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.680 5.310 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.182 6.181 9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.998 5.337 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.182 6.867 10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.857 7.103 12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.917 7.438 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.739 5.957 11.892 1.00 0.00 H new ATOM 480 N VAL A 31 5.563 1.979 7.575 1.00 0.00 N ATOM 481 CA VAL A 31 4.506 1.884 6.589 1.00 0.00 C ATOM 482 C VAL A 31 3.236 2.424 7.244 1.00 0.00 C ATOM 483 O VAL A 31 2.791 1.914 8.274 1.00 0.00 O ATOM 484 CB VAL A 31 4.418 0.459 6.012 1.00 0.00 C ATOM 485 CG1 VAL A 31 4.282 -0.679 7.036 1.00 0.00 C ATOM 486 CG2 VAL A 31 3.283 0.380 4.990 1.00 0.00 C ATOM 0 H VAL A 31 5.250 1.761 8.521 1.00 0.00 H new ATOM 0 HA VAL A 31 4.697 2.493 5.705 1.00 0.00 H new ATOM 0 HB VAL A 31 5.388 0.292 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.229 -1.634 6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.146 -0.676 7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.374 -0.535 7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.227 -0.631 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.339 0.630 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.473 1.084 4.180 1.00 0.00 H new ATOM 496 N GLU A 32 2.665 3.472 6.659 1.00 0.00 N ATOM 497 CA GLU A 32 1.467 4.157 7.122 1.00 0.00 C ATOM 498 C GLU A 32 0.440 4.174 5.996 1.00 0.00 C ATOM 499 O GLU A 32 0.822 4.311 4.834 1.00 0.00 O ATOM 500 CB GLU A 32 1.886 5.573 7.515 1.00 0.00 C ATOM 501 CG GLU A 32 0.724 6.394 8.071 1.00 0.00 C ATOM 502 CD GLU A 32 1.197 7.777 8.481 1.00 0.00 C ATOM 503 OE1 GLU A 32 2.093 7.864 9.353 1.00 0.00 O ATOM 504 OE2 GLU A 32 0.641 8.763 7.939 1.00 0.00 O ATOM 0 H GLU A 32 3.045 3.886 5.808 1.00 0.00 H new ATOM 0 HA GLU A 32 1.014 3.657 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.679 5.520 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.301 6.080 6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.061 6.480 7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.288 5.883 8.930 1.00 0.00 H new ATOM 511 N VAL A 33 -0.849 4.025 6.312 1.00 0.00 N ATOM 512 CA VAL A 33 -1.917 4.013 5.317 1.00 0.00 C ATOM 513 C VAL A 33 -3.099 4.848 5.815 1.00 0.00 C ATOM 514 O VAL A 33 -3.362 4.911 7.016 1.00 0.00 O ATOM 515 CB VAL A 33 -2.317 2.553 4.993 1.00 0.00 C ATOM 516 CG1 VAL A 33 -3.271 2.482 3.791 1.00 0.00 C ATOM 517 CG2 VAL A 33 -1.087 1.678 4.677 1.00 0.00 C ATOM 0 H VAL A 33 -1.179 3.909 7.270 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.569 4.466 4.389 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.816 2.175 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.530 1.442 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.177 3.046 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.784 2.908 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.411 0.661 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.561 2.088 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.418 1.666 5.538 1.00 0.00 H new ATOM 527 N SER A 34 -3.761 5.559 4.909 1.00 0.00 N ATOM 528 CA SER A 34 -4.918 6.368 5.241 1.00 0.00 C ATOM 529 C SER A 34 -6.124 5.420 5.292 1.00 0.00 C ATOM 530 O SER A 34 -6.380 4.689 4.331 1.00 0.00 O ATOM 531 CB SER A 34 -5.087 7.457 4.188 1.00 0.00 C ATOM 532 OG SER A 34 -6.112 8.348 4.575 1.00 0.00 O ATOM 0 H SER A 34 -3.506 5.588 3.922 1.00 0.00 H new ATOM 0 HA SER A 34 -4.811 6.868 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.150 8.000 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.328 7.008 3.224 1.00 0.00 H new ATOM 0 HG SER A 34 -6.009 9.195 4.092 1.00 0.00 H new ATOM 538 N LEU A 35 -6.854 5.435 6.405 1.00 0.00 N ATOM 539 CA LEU A 35 -8.028 4.593 6.625 1.00 0.00 C ATOM 540 C LEU A 35 -9.209 5.046 5.772 1.00 0.00 C ATOM 541 O LEU A 35 -9.854 4.243 5.108 1.00 0.00 O ATOM 542 CB LEU A 35 -8.383 4.681 8.124 1.00 0.00 C ATOM 543 CG LEU A 35 -9.519 3.787 8.661 1.00 0.00 C ATOM 544 CD1 LEU A 35 -10.933 4.251 8.282 1.00 0.00 C ATOM 545 CD2 LEU A 35 -9.327 2.329 8.257 1.00 0.00 C ATOM 0 H LEU A 35 -6.642 6.045 7.195 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.806 3.566 6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.482 4.451 8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.643 5.716 8.344 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.446 3.880 9.745 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.667 3.563 8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.106 5.252 8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.032 4.268 7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.147 1.730 8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.314 2.251 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.382 1.962 8.658 1.00 0.00 H new ATOM 557 N GLU A 36 -9.495 6.347 5.796 1.00 0.00 N ATOM 558 CA GLU A 36 -10.607 6.953 5.066 1.00 0.00 C ATOM 559 C GLU A 36 -10.323 7.173 3.574 1.00 0.00 C ATOM 560 O GLU A 36 -11.264 7.440 2.817 1.00 0.00 O ATOM 561 CB GLU A 36 -11.075 8.222 5.810 1.00 0.00 C ATOM 562 CG GLU A 36 -9.971 9.254 6.113 1.00 0.00 C ATOM 563 CD GLU A 36 -10.384 10.343 7.118 1.00 0.00 C ATOM 564 OE1 GLU A 36 -10.944 10.040 8.202 1.00 0.00 O ATOM 565 OE2 GLU A 36 -10.011 11.514 6.896 1.00 0.00 O ATOM 0 H GLU A 36 -8.950 7.022 6.333 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.435 6.244 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.849 8.707 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.537 7.922 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.097 8.731 6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.670 9.731 5.181 1.00 0.00 H new ATOM 572 N LYS A 37 -9.061 7.070 3.144 1.00 0.00 N ATOM 573 CA LYS A 37 -8.616 7.234 1.758 1.00 0.00 C ATOM 574 C LYS A 37 -7.980 5.920 1.294 1.00 0.00 C ATOM 575 O LYS A 37 -8.170 4.888 1.934 1.00 0.00 O ATOM 576 CB LYS A 37 -7.657 8.437 1.606 1.00 0.00 C ATOM 577 CG LYS A 37 -8.045 9.729 2.340 1.00 0.00 C ATOM 578 CD LYS A 37 -9.406 10.269 1.902 1.00 0.00 C ATOM 579 CE LYS A 37 -9.716 11.622 2.541 1.00 0.00 C ATOM 580 NZ LYS A 37 -8.930 12.709 1.928 1.00 0.00 N ATOM 0 H LYS A 37 -8.291 6.861 3.779 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.472 7.458 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.671 8.131 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.563 8.665 0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.061 9.541 3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.283 10.487 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.425 10.367 0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.184 9.554 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.779 11.838 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.503 11.577 3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.228 13.621 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.919 12.559 2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.087 12.714 0.900 1.00 0.00 H new ATOM 594 N GLY A 38 -7.240 5.936 0.188 1.00 0.00 N ATOM 595 CA GLY A 38 -6.556 4.788 -0.388 1.00 0.00 C ATOM 596 C GLY A 38 -5.147 5.238 -0.736 1.00 0.00 C ATOM 597 O GLY A 38 -4.799 5.403 -1.906 1.00 0.00 O ATOM 0 H GLY A 38 -7.096 6.789 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.532 3.959 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.078 4.434 -1.277 1.00 0.00 H new ATOM 601 N GLU A 39 -4.335 5.557 0.265 1.00 0.00 N ATOM 602 CA GLU A 39 -2.978 6.012 0.021 1.00 0.00 C ATOM 603 C GLU A 39 -2.098 5.500 1.146 1.00 0.00 C ATOM 604 O GLU A 39 -2.504 5.526 2.312 1.00 0.00 O ATOM 605 CB GLU A 39 -2.987 7.544 -0.120 1.00 0.00 C ATOM 606 CG GLU A 39 -1.708 8.067 -0.781 1.00 0.00 C ATOM 607 CD GLU A 39 -1.943 9.416 -1.463 1.00 0.00 C ATOM 608 OE1 GLU A 39 -2.517 9.436 -2.576 1.00 0.00 O ATOM 609 OE2 GLU A 39 -1.447 10.450 -0.971 1.00 0.00 O ATOM 0 H GLU A 39 -4.595 5.508 1.250 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.568 5.620 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.851 7.849 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.098 7.998 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.924 8.169 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.354 7.343 -1.515 1.00 0.00 H new ATOM 616 N ALA A 40 -0.914 5.011 0.781 1.00 0.00 N ATOM 617 CA ALA A 40 0.081 4.461 1.677 1.00 0.00 C ATOM 618 C ALA A 40 1.407 5.183 1.466 1.00 0.00 C ATOM 619 O ALA A 40 1.743 5.568 0.344 1.00 0.00 O ATOM 620 CB ALA A 40 0.229 2.960 1.403 1.00 0.00 C ATOM 0 H ALA A 40 -0.616 4.990 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.228 4.600 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.977 2.540 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.727 2.464 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.542 2.808 0.370 1.00 0.00 H new ATOM 626 N LEU A 41 2.151 5.356 2.553 1.00 0.00 N ATOM 627 CA LEU A 41 3.453 6.000 2.615 1.00 0.00 C ATOM 628 C LEU A 41 4.396 4.960 3.198 1.00 0.00 C ATOM 629 O LEU A 41 4.024 4.244 4.135 1.00 0.00 O ATOM 630 CB LEU A 41 3.433 7.249 3.515 1.00 0.00 C ATOM 631 CG LEU A 41 2.676 8.494 3.018 1.00 0.00 C ATOM 632 CD1 LEU A 41 3.060 8.888 1.590 1.00 0.00 C ATOM 633 CD2 LEU A 41 1.151 8.380 3.127 1.00 0.00 C ATOM 0 H LEU A 41 1.840 5.030 3.468 1.00 0.00 H new ATOM 0 HA LEU A 41 3.761 6.338 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.005 6.960 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.466 7.541 3.702 1.00 0.00 H new ATOM 0 HG LEU A 41 2.994 9.284 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.496 9.772 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.127 9.107 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.831 8.066 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.690 9.296 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.806 7.535 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.871 8.228 4.169 1.00 0.00 H new ATOM 645 N VAL A 42 5.605 4.875 2.656 1.00 0.00 N ATOM 646 CA VAL A 42 6.616 3.923 3.085 1.00 0.00 C ATOM 647 C VAL A 42 7.979 4.601 3.152 1.00 0.00 C ATOM 648 O VAL A 42 8.334 5.381 2.261 1.00 0.00 O ATOM 649 CB VAL A 42 6.644 2.722 2.112 1.00 0.00 C ATOM 650 CG1 VAL A 42 5.528 1.714 2.420 1.00 0.00 C ATOM 651 CG2 VAL A 42 6.558 3.109 0.626 1.00 0.00 C ATOM 0 H VAL A 42 5.913 5.477 1.893 1.00 0.00 H new ATOM 0 HA VAL A 42 6.370 3.557 4.082 1.00 0.00 H new ATOM 0 HB VAL A 42 7.621 2.268 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.582 0.885 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.650 1.335 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.559 2.205 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.584 2.208 0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.627 3.645 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.402 3.748 0.367 1.00 0.00 H new ATOM 661 N GLU A 43 8.769 4.285 4.179 1.00 0.00 N ATOM 662 CA GLU A 43 10.105 4.835 4.367 1.00 0.00 C ATOM 663 C GLU A 43 11.042 3.657 4.583 1.00 0.00 C ATOM 664 O GLU A 43 11.099 3.117 5.681 1.00 0.00 O ATOM 665 CB GLU A 43 10.098 5.804 5.558 1.00 0.00 C ATOM 666 CG GLU A 43 11.469 6.424 5.878 1.00 0.00 C ATOM 667 CD GLU A 43 11.847 7.614 4.996 1.00 0.00 C ATOM 668 OE1 GLU A 43 10.943 8.293 4.461 1.00 0.00 O ATOM 669 OE2 GLU A 43 13.062 7.877 4.834 1.00 0.00 O ATOM 0 H GLU A 43 8.492 3.631 4.911 1.00 0.00 H new ATOM 0 HA GLU A 43 10.440 5.407 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.388 6.606 5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.737 5.275 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.475 6.744 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.234 5.655 5.776 1.00 0.00 H new ATOM 676 N GLY A 44 11.828 3.298 3.570 1.00 0.00 N ATOM 677 CA GLY A 44 12.756 2.185 3.646 1.00 0.00 C ATOM 678 C GLY A 44 12.881 1.500 2.289 1.00 0.00 C ATOM 679 O GLY A 44 12.388 1.996 1.277 1.00 0.00 O ATOM 0 H GLY A 44 11.835 3.778 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.733 2.541 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.413 1.468 4.392 1.00 0.00 H new ATOM 683 N THR A 45 13.526 0.342 2.307 1.00 0.00 N ATOM 684 CA THR A 45 13.863 -0.584 1.228 1.00 0.00 C ATOM 685 C THR A 45 12.699 -1.182 0.411 1.00 0.00 C ATOM 686 O THR A 45 12.932 -2.104 -0.376 1.00 0.00 O ATOM 687 CB THR A 45 14.682 -1.704 1.905 1.00 0.00 C ATOM 688 OG1 THR A 45 13.949 -2.195 3.021 1.00 0.00 O ATOM 689 CG2 THR A 45 16.038 -1.172 2.388 1.00 0.00 C ATOM 0 H THR A 45 13.872 -0.019 3.196 1.00 0.00 H new ATOM 0 HA THR A 45 14.399 -0.019 0.465 1.00 0.00 H new ATOM 0 HB THR A 45 14.859 -2.500 1.182 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.458 -2.909 3.459 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.598 -1.979 2.862 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.603 -0.789 1.538 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.878 -0.370 3.108 1.00 0.00 H new ATOM 697 N ALA A 46 11.445 -0.761 0.611 1.00 0.00 N ATOM 698 CA ALA A 46 10.330 -1.322 -0.140 1.00 0.00 C ATOM 699 C ALA A 46 10.320 -0.772 -1.572 1.00 0.00 C ATOM 700 O ALA A 46 9.861 0.342 -1.820 1.00 0.00 O ATOM 701 CB ALA A 46 9.016 -1.034 0.585 1.00 0.00 C ATOM 0 H ALA A 46 11.184 -0.039 1.283 1.00 0.00 H new ATOM 0 HA ALA A 46 10.447 -2.404 -0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.187 -1.457 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.042 -1.483 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.880 0.044 0.678 1.00 0.00 H new ATOM 707 N ASP A 47 10.738 -1.604 -2.526 1.00 0.00 N ATOM 708 CA ASP A 47 10.801 -1.252 -3.944 1.00 0.00 C ATOM 709 C ASP A 47 9.388 -1.024 -4.501 1.00 0.00 C ATOM 710 O ASP A 47 8.516 -1.876 -4.288 1.00 0.00 O ATOM 711 CB ASP A 47 11.509 -2.364 -4.731 1.00 0.00 C ATOM 712 CG ASP A 47 11.913 -1.907 -6.135 1.00 0.00 C ATOM 713 OD1 ASP A 47 11.044 -1.529 -6.948 1.00 0.00 O ATOM 714 OD2 ASP A 47 13.140 -1.893 -6.412 1.00 0.00 O ATOM 0 H ASP A 47 11.047 -2.556 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 47 11.369 -0.328 -4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.396 -2.685 -4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.851 -3.229 -4.807 1.00 0.00 H new ATOM 719 N PRO A 48 9.125 0.062 -5.252 1.00 0.00 N ATOM 720 CA PRO A 48 7.803 0.334 -5.796 1.00 0.00 C ATOM 721 C PRO A 48 7.205 -0.804 -6.634 1.00 0.00 C ATOM 722 O PRO A 48 6.002 -1.030 -6.514 1.00 0.00 O ATOM 723 CB PRO A 48 7.895 1.670 -6.540 1.00 0.00 C ATOM 724 CG PRO A 48 9.390 1.922 -6.716 1.00 0.00 C ATOM 725 CD PRO A 48 10.041 1.145 -5.577 1.00 0.00 C ATOM 0 HA PRO A 48 7.084 0.404 -4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.387 1.621 -7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.424 2.472 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.740 1.572 -7.687 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.624 2.985 -6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.014 0.756 -5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.208 1.787 -4.712 1.00 0.00 H new ATOM 733 N LYS A 49 7.959 -1.546 -7.465 1.00 0.00 N ATOM 734 CA LYS A 49 7.323 -2.630 -8.237 1.00 0.00 C ATOM 735 C LYS A 49 6.855 -3.734 -7.302 1.00 0.00 C ATOM 736 O LYS A 49 5.784 -4.295 -7.519 1.00 0.00 O ATOM 737 CB LYS A 49 8.186 -3.206 -9.376 1.00 0.00 C ATOM 738 CG LYS A 49 9.508 -3.873 -8.956 1.00 0.00 C ATOM 739 CD LYS A 49 10.262 -4.561 -10.100 1.00 0.00 C ATOM 740 CE LYS A 49 10.495 -3.643 -11.307 1.00 0.00 C ATOM 741 NZ LYS A 49 9.676 -4.043 -12.471 1.00 0.00 N ATOM 0 H LYS A 49 8.961 -1.426 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 49 6.468 -2.174 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.590 -3.939 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.415 -2.400 -10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.157 -3.118 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.299 -4.610 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.224 -4.916 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.700 -5.438 -10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.258 -2.615 -11.032 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.550 -3.664 -11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.863 -3.398 -13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.920 -5.015 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.668 -3.998 -12.218 1.00 0.00 H new ATOM 755 N ALA A 50 7.634 -4.035 -6.265 1.00 0.00 N ATOM 756 CA ALA A 50 7.286 -5.065 -5.310 1.00 0.00 C ATOM 757 C ALA A 50 6.028 -4.662 -4.538 1.00 0.00 C ATOM 758 O ALA A 50 5.210 -5.526 -4.217 1.00 0.00 O ATOM 759 CB ALA A 50 8.470 -5.311 -4.378 1.00 0.00 C ATOM 0 H ALA A 50 8.520 -3.569 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 50 7.064 -5.997 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.211 -6.087 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.332 -5.632 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.713 -4.390 -3.848 1.00 0.00 H new ATOM 765 N LEU A 51 5.875 -3.369 -4.234 1.00 0.00 N ATOM 766 CA LEU A 51 4.731 -2.810 -3.521 1.00 0.00 C ATOM 767 C LEU A 51 3.484 -2.923 -4.396 1.00 0.00 C ATOM 768 O LEU A 51 2.463 -3.431 -3.930 1.00 0.00 O ATOM 769 CB LEU A 51 5.013 -1.349 -3.151 1.00 0.00 C ATOM 770 CG LEU A 51 5.985 -1.197 -1.969 1.00 0.00 C ATOM 771 CD1 LEU A 51 6.468 0.250 -1.899 1.00 0.00 C ATOM 772 CD2 LEU A 51 5.299 -1.534 -0.642 1.00 0.00 C ATOM 0 H LEU A 51 6.568 -2.664 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 51 4.561 -3.367 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.425 -0.835 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.073 -0.856 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 51 6.818 -1.883 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.158 0.363 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.978 0.509 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.614 0.912 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.011 -1.418 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.456 -0.861 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.942 -2.563 -0.668 1.00 0.00 H new ATOM 784 N VAL A 52 3.585 -2.466 -5.650 1.00 0.00 N ATOM 785 CA VAL A 52 2.517 -2.507 -6.644 1.00 0.00 C ATOM 786 C VAL A 52 2.005 -3.942 -6.733 1.00 0.00 C ATOM 787 O VAL A 52 0.814 -4.170 -6.543 1.00 0.00 O ATOM 788 CB VAL A 52 3.051 -1.966 -7.994 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.259 -2.410 -9.233 1.00 0.00 C ATOM 790 CG2 VAL A 52 3.091 -0.432 -7.962 1.00 0.00 C ATOM 0 H VAL A 52 4.442 -2.045 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 52 1.679 -1.870 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 52 4.047 -2.397 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.711 -1.980 -10.127 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.276 -3.497 -9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.228 -2.068 -9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.467 -0.058 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.086 -0.045 -7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.748 -0.102 -7.157 1.00 0.00 H new ATOM 800 N GLN A 53 2.911 -4.896 -6.969 1.00 0.00 N ATOM 801 CA GLN A 53 2.575 -6.304 -7.078 1.00 0.00 C ATOM 802 C GLN A 53 1.844 -6.774 -5.830 1.00 0.00 C ATOM 803 O GLN A 53 0.763 -7.333 -5.970 1.00 0.00 O ATOM 804 CB GLN A 53 3.847 -7.140 -7.320 1.00 0.00 C ATOM 805 CG GLN A 53 3.977 -7.624 -8.769 1.00 0.00 C ATOM 806 CD GLN A 53 3.792 -6.550 -9.835 1.00 0.00 C ATOM 807 OE1 GLN A 53 3.039 -6.738 -10.784 1.00 0.00 O ATOM 808 NE2 GLN A 53 4.474 -5.419 -9.759 1.00 0.00 N ATOM 0 H GLN A 53 3.905 -4.702 -7.090 1.00 0.00 H new ATOM 0 HA GLN A 53 1.910 -6.441 -7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.722 -6.544 -7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.841 -8.002 -6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.962 -8.074 -8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.242 -8.411 -8.939 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.103 -5.254 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.371 -4.712 -10.487 1.00 0.00 H new ATOM 817 N ALA A 54 2.384 -6.502 -4.638 1.00 0.00 N ATOM 818 CA ALA A 54 1.781 -6.924 -3.384 1.00 0.00 C ATOM 819 C ALA A 54 0.324 -6.475 -3.255 1.00 0.00 C ATOM 820 O ALA A 54 -0.518 -7.298 -2.896 1.00 0.00 O ATOM 821 CB ALA A 54 2.627 -6.441 -2.201 1.00 0.00 C ATOM 0 H ALA A 54 3.254 -5.981 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 54 1.763 -8.014 -3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.165 -6.763 -1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.629 -6.863 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.689 -5.353 -2.218 1.00 0.00 H new ATOM 827 N VAL A 55 0.012 -5.190 -3.483 1.00 0.00 N ATOM 828 CA VAL A 55 -1.382 -4.747 -3.366 1.00 0.00 C ATOM 829 C VAL A 55 -2.233 -5.315 -4.514 1.00 0.00 C ATOM 830 O VAL A 55 -3.415 -5.607 -4.308 1.00 0.00 O ATOM 831 CB VAL A 55 -1.515 -3.225 -3.170 1.00 0.00 C ATOM 832 CG1 VAL A 55 -0.846 -2.784 -1.858 1.00 0.00 C ATOM 833 CG2 VAL A 55 -0.960 -2.407 -4.334 1.00 0.00 C ATOM 0 H VAL A 55 0.680 -4.464 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.791 -5.164 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.586 -3.025 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.952 -1.706 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.323 -3.289 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.212 -3.044 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.088 -1.345 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.100 -2.627 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.495 -2.665 -5.248 1.00 0.00 H new ATOM 843 N GLU A 56 -1.656 -5.494 -5.710 1.00 0.00 N ATOM 844 CA GLU A 56 -2.360 -6.048 -6.860 1.00 0.00 C ATOM 845 C GLU A 56 -2.787 -7.492 -6.586 1.00 0.00 C ATOM 846 O GLU A 56 -3.722 -7.958 -7.235 1.00 0.00 O ATOM 847 CB GLU A 56 -1.532 -5.995 -8.159 1.00 0.00 C ATOM 848 CG GLU A 56 -1.673 -4.666 -8.920 1.00 0.00 C ATOM 849 CD GLU A 56 -1.359 -4.781 -10.422 1.00 0.00 C ATOM 850 OE1 GLU A 56 -1.034 -5.879 -10.933 1.00 0.00 O ATOM 851 OE2 GLU A 56 -1.550 -3.770 -11.131 1.00 0.00 O ATOM 0 H GLU A 56 -0.683 -5.255 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.239 -5.421 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.481 -6.157 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.840 -6.813 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.690 -4.293 -8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.006 -3.928 -8.473 1.00 0.00 H new ATOM 858 N GLU A 57 -2.185 -8.208 -5.629 1.00 0.00 N ATOM 859 CA GLU A 57 -2.570 -9.587 -5.328 1.00 0.00 C ATOM 860 C GLU A 57 -4.032 -9.651 -4.864 1.00 0.00 C ATOM 861 O GLU A 57 -4.690 -10.676 -5.052 1.00 0.00 O ATOM 862 CB GLU A 57 -1.635 -10.230 -4.291 1.00 0.00 C ATOM 863 CG GLU A 57 -0.187 -10.257 -4.801 1.00 0.00 C ATOM 864 CD GLU A 57 0.771 -11.086 -3.958 1.00 0.00 C ATOM 865 OE1 GLU A 57 0.430 -12.240 -3.614 1.00 0.00 O ATOM 866 OE2 GLU A 57 1.903 -10.618 -3.680 1.00 0.00 O ATOM 0 H GLU A 57 -1.426 -7.851 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.473 -10.163 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.685 -9.673 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.968 -11.245 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.182 -10.646 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.186 -9.234 -4.849 1.00 0.00 H new ATOM 873 N GLU A 58 -4.545 -8.578 -4.257 1.00 0.00 N ATOM 874 CA GLU A 58 -5.922 -8.461 -3.780 1.00 0.00 C ATOM 875 C GLU A 58 -6.823 -7.872 -4.889 1.00 0.00 C ATOM 876 O GLU A 58 -8.049 -7.811 -4.765 1.00 0.00 O ATOM 877 CB GLU A 58 -5.901 -7.602 -2.509 1.00 0.00 C ATOM 878 CG GLU A 58 -7.184 -7.687 -1.680 1.00 0.00 C ATOM 879 CD GLU A 58 -7.449 -9.074 -1.101 1.00 0.00 C ATOM 880 OE1 GLU A 58 -6.822 -9.453 -0.080 1.00 0.00 O ATOM 881 OE2 GLU A 58 -8.338 -9.773 -1.630 1.00 0.00 O ATOM 0 H GLU A 58 -3.993 -7.739 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.344 -9.436 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.059 -7.909 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.729 -6.562 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.127 -6.967 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.029 -7.396 -2.304 1.00 0.00 H new ATOM 888 N GLY A 59 -6.214 -7.427 -5.989 1.00 0.00 N ATOM 889 CA GLY A 59 -6.860 -6.858 -7.153 1.00 0.00 C ATOM 890 C GLY A 59 -7.110 -5.355 -7.093 1.00 0.00 C ATOM 891 O GLY A 59 -7.857 -4.850 -7.926 1.00 0.00 O ATOM 0 H GLY A 59 -5.199 -7.460 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.247 -7.073 -8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.815 -7.362 -7.301 1.00 0.00 H new ATOM 895 N TYR A 60 -6.563 -4.617 -6.123 1.00 0.00 N ATOM 896 CA TYR A 60 -6.782 -3.169 -6.083 1.00 0.00 C ATOM 897 C TYR A 60 -5.951 -2.502 -7.186 1.00 0.00 C ATOM 898 O TYR A 60 -4.973 -3.089 -7.661 1.00 0.00 O ATOM 899 CB TYR A 60 -6.373 -2.607 -4.716 1.00 0.00 C ATOM 900 CG TYR A 60 -7.038 -3.268 -3.523 1.00 0.00 C ATOM 901 CD1 TYR A 60 -8.430 -3.483 -3.508 1.00 0.00 C ATOM 902 CD2 TYR A 60 -6.259 -3.677 -2.424 1.00 0.00 C ATOM 903 CE1 TYR A 60 -9.033 -4.111 -2.409 1.00 0.00 C ATOM 904 CE2 TYR A 60 -6.859 -4.321 -1.328 1.00 0.00 C ATOM 905 CZ TYR A 60 -8.252 -4.561 -1.331 1.00 0.00 C ATOM 906 OH TYR A 60 -8.867 -5.241 -0.327 1.00 0.00 O ATOM 0 H TYR A 60 -5.979 -4.986 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.840 -2.962 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.293 -2.703 -4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.602 -1.541 -4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.034 -3.164 -4.344 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.194 -3.495 -2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.104 -4.250 -2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.258 -4.631 -0.486 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.147 -6.122 -0.652 1.00 0.00 H new ATOM 916 N LYS A 61 -6.346 -1.307 -7.639 1.00 0.00 N ATOM 917 CA LYS A 61 -5.591 -0.587 -8.659 1.00 0.00 C ATOM 918 C LYS A 61 -4.442 0.087 -7.933 1.00 0.00 C ATOM 919 O LYS A 61 -4.683 0.901 -7.031 1.00 0.00 O ATOM 920 CB LYS A 61 -6.426 0.452 -9.415 1.00 0.00 C ATOM 921 CG LYS A 61 -7.420 -0.140 -10.415 1.00 0.00 C ATOM 922 CD LYS A 61 -6.828 -1.023 -11.523 1.00 0.00 C ATOM 923 CE LYS A 61 -5.721 -0.339 -12.332 1.00 0.00 C ATOM 924 NZ LYS A 61 -5.330 -1.143 -13.505 1.00 0.00 N ATOM 0 H LYS A 61 -7.183 -0.823 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.251 -1.288 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.974 1.056 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.752 1.124 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.151 -0.730 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.962 0.681 -10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.429 -1.933 -11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.627 -1.325 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.063 0.642 -12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.851 -0.177 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.579 -0.650 -14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.980 -2.070 -13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.154 -1.276 -14.125 1.00 0.00 H new ATOM 938 N ALA A 62 -3.216 -0.252 -8.301 1.00 0.00 N ATOM 939 CA ALA A 62 -2.020 0.290 -7.694 1.00 0.00 C ATOM 940 C ALA A 62 -1.437 1.355 -8.606 1.00 0.00 C ATOM 941 O ALA A 62 -1.498 1.232 -9.828 1.00 0.00 O ATOM 942 CB ALA A 62 -1.006 -0.840 -7.556 1.00 0.00 C ATOM 0 H ALA A 62 -3.026 -0.924 -9.044 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.253 0.724 -6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.093 -0.456 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.422 -1.628 -6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.776 -1.245 -8.541 1.00 0.00 H new ATOM 948 N GLU A 63 -0.891 2.413 -8.025 1.00 0.00 N ATOM 949 CA GLU A 63 -0.263 3.495 -8.766 1.00 0.00 C ATOM 950 C GLU A 63 0.883 4.001 -7.878 1.00 0.00 C ATOM 951 O GLU A 63 0.809 3.906 -6.648 1.00 0.00 O ATOM 952 CB GLU A 63 -1.326 4.537 -9.155 1.00 0.00 C ATOM 953 CG GLU A 63 -0.772 5.714 -9.963 1.00 0.00 C ATOM 954 CD GLU A 63 0.013 5.290 -11.211 1.00 0.00 C ATOM 955 OE1 GLU A 63 -0.443 4.398 -11.956 1.00 0.00 O ATOM 956 OE2 GLU A 63 1.151 5.792 -11.399 1.00 0.00 O ATOM 0 H GLU A 63 -0.872 2.545 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 63 0.168 3.195 -9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.107 4.046 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.795 4.920 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.599 6.357 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.123 6.310 -9.322 1.00 0.00 H new ATOM 963 N VAL A 64 1.958 4.511 -8.477 1.00 0.00 N ATOM 964 CA VAL A 64 3.135 4.998 -7.758 1.00 0.00 C ATOM 965 C VAL A 64 3.202 6.521 -7.761 1.00 0.00 C ATOM 966 O VAL A 64 2.748 7.170 -8.704 1.00 0.00 O ATOM 967 CB VAL A 64 4.403 4.371 -8.379 1.00 0.00 C ATOM 968 CG1 VAL A 64 4.508 2.888 -7.991 1.00 0.00 C ATOM 969 CG2 VAL A 64 4.449 4.481 -9.915 1.00 0.00 C ATOM 0 H VAL A 64 2.037 4.599 -9.490 1.00 0.00 H new ATOM 0 HA VAL A 64 3.065 4.694 -6.713 1.00 0.00 H new ATOM 0 HB VAL A 64 5.244 4.939 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.406 2.458 -8.435 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.562 2.799 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.631 2.353 -8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.365 4.021 -10.285 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.587 3.968 -10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.427 5.531 -10.205 1.00 0.00 H new ATOM 979 N LEU A 65 3.759 7.099 -6.698 1.00 0.00 N ATOM 980 CA LEU A 65 3.934 8.530 -6.515 1.00 0.00 C ATOM 981 C LEU A 65 5.206 8.736 -5.695 1.00 0.00 C ATOM 982 O LEU A 65 5.584 7.876 -4.891 1.00 0.00 O ATOM 983 CB LEU A 65 2.721 9.142 -5.786 1.00 0.00 C ATOM 984 CG LEU A 65 1.459 9.362 -6.643 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.312 9.864 -5.763 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.696 10.392 -7.751 1.00 0.00 C ATOM 0 H LEU A 65 4.114 6.556 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 65 4.015 9.026 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.460 8.494 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.022 10.101 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 65 1.209 8.404 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.576 10.017 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.097 9.126 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.597 10.807 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.782 10.518 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.978 11.346 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.497 10.046 -8.404 1.00 0.00 H new ATOM 998 N ALA A 66 5.861 9.870 -5.922 1.00 0.00 N ATOM 999 CA ALA A 66 7.084 10.257 -5.244 1.00 0.00 C ATOM 1000 C ALA A 66 6.768 10.875 -3.887 1.00 0.00 C ATOM 1001 O ALA A 66 5.603 10.841 -3.429 1.00 0.00 O ATOM 1002 CB ALA A 66 7.835 11.247 -6.140 1.00 0.00 C ATOM 0 H ALA A 66 5.544 10.561 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 66 7.708 9.382 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.759 11.552 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.069 10.771 -7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.211 12.123 -6.317 1.00 0.00 H new TER 1008 ALA A 66