USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot 180:sc= 0.832 USER MOD Set 1.2: A 56 THR OG1 : rot 77:sc= 0.851 USER MOD Set 2.1: A 37 SER OG : rot 100:sc= 0.953 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.698 X(o=1.7,f=1.4) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 CYS SG : rot 180:sc= 0.0538 USER MOD Set 3.3: A 17 CYS SG : rot -96:sc= 0.181 USER MOD Set 4.1: A 3 GLN : amide:sc= -0.291 K(o=-0.29,f=0.25) USER MOD Set 4.2: A 47 TYR OH : rot 15:sc= 0 USER MOD Single : A 2 THR OG1 : rot -38:sc= 0.195 USER MOD Single : A 5 THR OG1 : rot -150:sc= -0.0541 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 12 MET CE :methyl 180:sc= -0.0628 (180deg=-0.0628) USER MOD Single : A 15 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.35) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.454 X(o=0.45,f=-0.028) USER MOD Single : A 20 SER OG : rot 78:sc= 0.937 USER MOD Single : A 26 SER OG : rot -47:sc= 0.648 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0782 (180deg=-0.608) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.242) USER MOD Single : A 33 SER OG : rot 171:sc=-0.000904 USER MOD Single : A 41 SER OG : rot 11:sc= 0.864 USER MOD Single : A 42 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -168:sc= 0 (180deg=-0.16) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0082 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 5.032 -15.533 -2.867 1.00 0.00 N ATOM 23 CA THR A 2 5.278 -14.115 -3.098 1.00 0.00 C ATOM 24 C THR A 2 4.411 -13.618 -4.257 1.00 0.00 C ATOM 25 O THR A 2 4.199 -14.344 -5.227 1.00 0.00 O ATOM 26 CB THR A 2 6.765 -13.857 -3.389 1.00 0.00 C ATOM 27 OG1 THR A 2 7.236 -14.744 -4.383 1.00 0.00 O ATOM 28 CG2 THR A 2 7.627 -13.994 -2.132 1.00 0.00 C ATOM 0 HA THR A 2 5.012 -13.565 -2.195 1.00 0.00 H new ATOM 0 HB THR A 2 6.847 -12.830 -3.745 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.827 -15.625 -4.255 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.670 -13.803 -2.384 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.297 -13.273 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.529 -15.003 -1.732 1.00 0.00 H new ATOM 36 N GLN A 3 3.929 -12.373 -4.154 1.00 0.00 N ATOM 37 CA GLN A 3 3.272 -11.640 -5.229 1.00 0.00 C ATOM 38 C GLN A 3 3.596 -10.152 -5.087 1.00 0.00 C ATOM 39 O GLN A 3 4.049 -9.703 -4.033 1.00 0.00 O ATOM 40 CB GLN A 3 1.752 -11.856 -5.221 1.00 0.00 C ATOM 41 CG GLN A 3 1.337 -13.206 -5.816 1.00 0.00 C ATOM 42 CD GLN A 3 -0.157 -13.263 -6.134 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.540 -13.594 -7.253 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.012 -12.942 -5.160 1.00 0.00 N ATOM 0 H GLN A 3 3.991 -11.836 -3.289 1.00 0.00 H new ATOM 0 HA GLN A 3 3.645 -12.015 -6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.386 -11.789 -4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.273 -11.054 -5.784 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.908 -13.391 -6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.588 -14.002 -5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.660 -12.671 -4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.017 -12.967 -5.334 1.00 0.00 H new ATOM 53 N GLU A 4 3.359 -9.403 -6.170 1.00 0.00 N ATOM 54 CA GLU A 4 3.623 -7.978 -6.281 1.00 0.00 C ATOM 55 C GLU A 4 2.333 -7.277 -6.705 1.00 0.00 C ATOM 56 O GLU A 4 1.564 -7.834 -7.487 1.00 0.00 O ATOM 57 CB GLU A 4 4.740 -7.733 -7.305 1.00 0.00 C ATOM 58 CG GLU A 4 5.962 -8.619 -7.033 1.00 0.00 C ATOM 59 CD GLU A 4 7.153 -8.201 -7.889 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.791 -7.189 -7.524 1.00 0.00 O ATOM 61 OE2 GLU A 4 7.405 -8.898 -8.896 1.00 0.00 O ATOM 0 H GLU A 4 2.962 -9.796 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 4 3.952 -7.578 -5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.363 -7.930 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.037 -6.685 -7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.230 -8.558 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.712 -9.660 -7.238 1.00 0.00 H new ATOM 68 N THR A 5 2.088 -6.067 -6.187 1.00 0.00 N ATOM 69 CA THR A 5 0.894 -5.296 -6.506 1.00 0.00 C ATOM 70 C THR A 5 1.171 -3.797 -6.426 1.00 0.00 C ATOM 71 O THR A 5 2.180 -3.366 -5.867 1.00 0.00 O ATOM 72 CB THR A 5 -0.270 -5.710 -5.587 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.476 -5.132 -6.038 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.048 -5.290 -4.128 1.00 0.00 C ATOM 0 H THR A 5 2.717 -5.600 -5.534 1.00 0.00 H new ATOM 0 HA THR A 5 0.604 -5.514 -7.534 1.00 0.00 H new ATOM 0 HB THR A 5 -0.323 -6.798 -5.626 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.071 -4.979 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.899 -5.607 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.860 -5.758 -3.749 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.052 -4.206 -4.073 1.00 0.00 H new ATOM 82 N VAL A 6 0.240 -3.017 -6.984 1.00 0.00 N ATOM 83 CA VAL A 6 0.177 -1.573 -6.872 1.00 0.00 C ATOM 84 C VAL A 6 -1.253 -1.225 -6.467 1.00 0.00 C ATOM 85 O VAL A 6 -2.206 -1.764 -7.030 1.00 0.00 O ATOM 86 CB VAL A 6 0.572 -0.894 -8.196 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.541 0.635 -8.052 1.00 0.00 C ATOM 88 CG2 VAL A 6 1.977 -1.316 -8.642 1.00 0.00 C ATOM 0 H VAL A 6 -0.519 -3.400 -7.548 1.00 0.00 H new ATOM 0 HA VAL A 6 0.884 -1.210 -6.126 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.152 -1.210 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.823 1.095 -8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.465 0.954 -7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.242 0.942 -7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.226 -0.819 -9.580 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.701 -1.033 -7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.004 -2.396 -8.785 1.00 0.00 H new ATOM 98 N ILE A 7 -1.387 -0.324 -5.490 1.00 0.00 N ATOM 99 CA ILE A 7 -2.648 0.257 -5.061 1.00 0.00 C ATOM 100 C ILE A 7 -2.577 1.738 -5.427 1.00 0.00 C ATOM 101 O ILE A 7 -1.617 2.404 -5.051 1.00 0.00 O ATOM 102 CB ILE A 7 -2.827 0.075 -3.541 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.613 -1.373 -3.059 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.200 0.600 -3.094 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.591 -2.395 -3.645 1.00 0.00 C ATOM 0 H ILE A 7 -0.589 0.029 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.499 -0.225 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.041 0.666 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.597 -1.678 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.694 -1.395 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.309 0.463 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.280 1.660 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.986 0.050 -3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.364 -3.385 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.610 -2.121 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.496 -2.408 -4.731 1.00 0.00 H new ATOM 117 N ASN A 8 -3.578 2.253 -6.148 1.00 0.00 N ATOM 118 CA ASN A 8 -3.705 3.677 -6.432 1.00 0.00 C ATOM 119 C ASN A 8 -4.432 4.321 -5.255 1.00 0.00 C ATOM 120 O ASN A 8 -5.538 3.907 -4.909 1.00 0.00 O ATOM 121 CB ASN A 8 -4.446 3.904 -7.754 1.00 0.00 C ATOM 122 CG ASN A 8 -3.661 3.397 -8.963 1.00 0.00 C ATOM 123 OD1 ASN A 8 -2.448 3.207 -8.899 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.359 3.162 -10.076 1.00 0.00 N ATOM 0 H ASN A 8 -4.324 1.687 -6.551 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.723 4.135 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.412 3.401 -7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.646 4.969 -7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.887 2.813 -10.910 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.365 3.331 -10.093 1.00 0.00 H new ATOM 131 N ILE A 9 -3.782 5.313 -4.636 1.00 0.00 N ATOM 132 CA ILE A 9 -4.178 5.920 -3.376 1.00 0.00 C ATOM 133 C ILE A 9 -4.377 7.415 -3.623 1.00 0.00 C ATOM 134 O ILE A 9 -3.407 8.170 -3.608 1.00 0.00 O ATOM 135 CB ILE A 9 -3.085 5.670 -2.312 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.718 4.181 -2.187 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.555 6.214 -0.955 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.489 3.955 -1.300 1.00 0.00 C ATOM 0 H ILE A 9 -2.933 5.726 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.106 5.484 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.185 6.195 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.566 3.634 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.527 3.772 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.784 6.037 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.743 7.285 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.473 5.707 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.272 2.888 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.632 4.478 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.688 4.338 -0.299 1.00 0.00 H new ATOM 150 N ASP A 10 -5.624 7.847 -3.845 1.00 0.00 N ATOM 151 CA ASP A 10 -5.944 9.259 -4.022 1.00 0.00 C ATOM 152 C ASP A 10 -6.499 9.838 -2.718 1.00 0.00 C ATOM 153 O ASP A 10 -7.029 9.111 -1.877 1.00 0.00 O ATOM 154 CB ASP A 10 -6.868 9.471 -5.228 1.00 0.00 C ATOM 155 CG ASP A 10 -8.234 8.815 -5.064 1.00 0.00 C ATOM 156 OD1 ASP A 10 -8.304 7.587 -5.285 1.00 0.00 O ATOM 157 OD2 ASP A 10 -9.182 9.558 -4.728 1.00 0.00 O ATOM 0 H ASP A 10 -6.432 7.228 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.032 9.811 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.003 10.540 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.386 9.072 -6.121 1.00 0.00 H new ATOM 162 N GLY A 11 -6.338 11.157 -2.554 1.00 0.00 N ATOM 163 CA GLY A 11 -6.620 11.881 -1.321 1.00 0.00 C ATOM 164 C GLY A 11 -5.355 12.113 -0.484 1.00 0.00 C ATOM 165 O GLY A 11 -5.459 12.528 0.668 1.00 0.00 O ATOM 0 H GLY A 11 -5.998 11.762 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.076 12.841 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.347 11.322 -0.731 1.00 0.00 H new ATOM 169 N MET A 12 -4.166 11.858 -1.050 1.00 0.00 N ATOM 170 CA MET A 12 -2.889 12.097 -0.393 1.00 0.00 C ATOM 171 C MET A 12 -2.555 13.585 -0.503 1.00 0.00 C ATOM 172 O MET A 12 -2.382 14.098 -1.607 1.00 0.00 O ATOM 173 CB MET A 12 -1.795 11.241 -1.043 1.00 0.00 C ATOM 174 CG MET A 12 -2.031 9.744 -0.813 1.00 0.00 C ATOM 175 SD MET A 12 -0.895 8.647 -1.705 1.00 0.00 S ATOM 176 CE MET A 12 0.660 8.999 -0.859 1.00 0.00 C ATOM 0 H MET A 12 -4.072 11.475 -1.991 1.00 0.00 H new ATOM 0 HA MET A 12 -2.950 11.818 0.659 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.763 11.444 -2.114 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.824 11.522 -0.636 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.949 9.538 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.052 9.502 -1.107 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.457 8.398 -1.297 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.902 10.056 -0.967 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.562 8.756 0.199 1.00 0.00 H new ATOM 186 N THR A 13 -2.481 14.273 0.640 1.00 0.00 N ATOM 187 CA THR A 13 -2.295 15.716 0.704 1.00 0.00 C ATOM 188 C THR A 13 -0.815 16.096 0.616 1.00 0.00 C ATOM 189 O THR A 13 -0.463 16.994 -0.147 1.00 0.00 O ATOM 190 CB THR A 13 -2.937 16.275 1.983 1.00 0.00 C ATOM 191 OG1 THR A 13 -2.416 15.639 3.132 1.00 0.00 O ATOM 192 CG2 THR A 13 -4.460 16.106 1.963 1.00 0.00 C ATOM 0 H THR A 13 -2.550 13.832 1.557 1.00 0.00 H new ATOM 0 HA THR A 13 -2.792 16.162 -0.158 1.00 0.00 H new ATOM 0 HB THR A 13 -2.699 17.338 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.839 16.013 3.933 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.883 16.512 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.874 16.639 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.708 15.047 1.886 1.00 0.00 H new ATOM 200 N CYS A 14 0.046 15.434 1.400 1.00 0.00 N ATOM 201 CA CYS A 14 1.460 15.791 1.513 1.00 0.00 C ATOM 202 C CYS A 14 2.293 14.567 1.914 1.00 0.00 C ATOM 203 O CYS A 14 1.758 13.473 2.094 1.00 0.00 O ATOM 204 CB CYS A 14 1.622 16.943 2.521 1.00 0.00 C ATOM 205 SG CYS A 14 1.372 16.401 4.224 1.00 0.00 S ATOM 0 H CYS A 14 -0.222 14.634 1.974 1.00 0.00 H new ATOM 0 HA CYS A 14 1.828 16.130 0.544 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.619 17.373 2.421 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.909 17.733 2.285 1.00 0.00 H new ATOM 0 HG CYS A 14 1.523 17.412 5.028 1.00 0.00 H new ATOM 210 N ASN A 15 3.610 14.764 2.058 1.00 0.00 N ATOM 211 CA ASN A 15 4.589 13.729 2.385 1.00 0.00 C ATOM 212 C ASN A 15 4.299 13.008 3.707 1.00 0.00 C ATOM 213 O ASN A 15 4.714 11.864 3.883 1.00 0.00 O ATOM 214 CB ASN A 15 5.994 14.343 2.402 1.00 0.00 C ATOM 215 CG ASN A 15 6.142 15.394 3.501 1.00 0.00 C ATOM 216 OD1 ASN A 15 5.791 16.554 3.300 1.00 0.00 O ATOM 217 ND2 ASN A 15 6.656 14.993 4.666 1.00 0.00 N ATOM 0 H ASN A 15 4.035 15.684 1.945 1.00 0.00 H new ATOM 0 HA ASN A 15 4.520 12.966 1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.733 13.555 2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.203 14.798 1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.769 15.659 5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.935 14.020 4.792 1.00 0.00 H new ATOM 224 N SER A 16 3.591 13.660 4.637 1.00 0.00 N ATOM 225 CA SER A 16 3.152 13.042 5.881 1.00 0.00 C ATOM 226 C SER A 16 2.344 11.773 5.597 1.00 0.00 C ATOM 227 O SER A 16 2.514 10.774 6.292 1.00 0.00 O ATOM 228 CB SER A 16 2.333 14.043 6.702 1.00 0.00 C ATOM 229 OG SER A 16 2.073 13.523 7.989 1.00 0.00 O ATOM 0 H SER A 16 3.308 14.635 4.542 1.00 0.00 H new ATOM 0 HA SER A 16 4.029 12.755 6.461 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.875 14.985 6.785 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.394 14.259 6.193 1.00 0.00 H new ATOM 0 HG SER A 16 1.550 14.172 8.505 1.00 0.00 H new ATOM 235 N CYS A 17 1.479 11.808 4.575 1.00 0.00 N ATOM 236 CA CYS A 17 0.677 10.660 4.175 1.00 0.00 C ATOM 237 C CYS A 17 1.575 9.523 3.697 1.00 0.00 C ATOM 238 O CYS A 17 1.384 8.385 4.115 1.00 0.00 O ATOM 239 CB CYS A 17 -0.314 11.046 3.076 1.00 0.00 C ATOM 240 SG CYS A 17 -1.456 12.379 3.507 1.00 0.00 S ATOM 0 H CYS A 17 1.320 12.639 4.005 1.00 0.00 H new ATOM 0 HA CYS A 17 0.113 10.321 5.044 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.247 11.342 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.895 10.164 2.806 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.581 11.872 3.916 1.00 0.00 H new ATOM 245 N VAL A 18 2.554 9.833 2.835 1.00 0.00 N ATOM 246 CA VAL A 18 3.519 8.865 2.324 1.00 0.00 C ATOM 247 C VAL A 18 4.173 8.128 3.493 1.00 0.00 C ATOM 248 O VAL A 18 4.157 6.899 3.535 1.00 0.00 O ATOM 249 CB VAL A 18 4.569 9.562 1.437 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.635 8.578 0.941 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.916 10.218 0.216 1.00 0.00 C ATOM 0 H VAL A 18 2.695 10.776 2.472 1.00 0.00 H new ATOM 0 HA VAL A 18 3.002 8.134 1.702 1.00 0.00 H new ATOM 0 HB VAL A 18 5.040 10.323 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.357 9.107 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.147 8.135 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.160 7.791 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.682 10.701 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.409 9.458 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.192 10.962 0.547 1.00 0.00 H new ATOM 261 N GLN A 19 4.731 8.888 4.443 1.00 0.00 N ATOM 262 CA GLN A 19 5.403 8.351 5.615 1.00 0.00 C ATOM 263 C GLN A 19 4.460 7.477 6.448 1.00 0.00 C ATOM 264 O GLN A 19 4.836 6.372 6.833 1.00 0.00 O ATOM 265 CB GLN A 19 5.984 9.509 6.439 1.00 0.00 C ATOM 266 CG GLN A 19 6.714 9.055 7.712 1.00 0.00 C ATOM 267 CD GLN A 19 7.911 8.151 7.416 1.00 0.00 C ATOM 268 OE1 GLN A 19 9.032 8.632 7.274 1.00 0.00 O ATOM 269 NE2 GLN A 19 7.681 6.839 7.329 1.00 0.00 N ATOM 0 H GLN A 19 4.724 9.907 4.411 1.00 0.00 H new ATOM 0 HA GLN A 19 6.220 7.705 5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.676 10.075 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.177 10.187 6.716 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.054 9.932 8.263 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.014 8.524 8.357 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.735 6.478 7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.451 6.198 7.138 1.00 0.00 H new ATOM 278 N SER A 20 3.248 7.971 6.732 1.00 0.00 N ATOM 279 CA SER A 20 2.272 7.275 7.562 1.00 0.00 C ATOM 280 C SER A 20 1.881 5.930 6.947 1.00 0.00 C ATOM 281 O SER A 20 1.973 4.900 7.613 1.00 0.00 O ATOM 282 CB SER A 20 1.037 8.159 7.775 1.00 0.00 C ATOM 283 OG SER A 20 1.393 9.347 8.448 1.00 0.00 O ATOM 0 H SER A 20 2.920 8.873 6.386 1.00 0.00 H new ATOM 0 HA SER A 20 2.728 7.072 8.531 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.584 8.400 6.813 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.289 7.616 8.353 1.00 0.00 H new ATOM 0 HG SER A 20 1.811 9.968 7.816 1.00 0.00 H new ATOM 289 N ILE A 21 1.448 5.944 5.680 1.00 0.00 N ATOM 290 CA ILE A 21 1.036 4.754 4.950 1.00 0.00 C ATOM 291 C ILE A 21 2.192 3.755 4.921 1.00 0.00 C ATOM 292 O ILE A 21 2.027 2.619 5.354 1.00 0.00 O ATOM 293 CB ILE A 21 0.571 5.124 3.527 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.683 6.020 3.559 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.260 3.852 2.720 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.869 6.767 2.234 1.00 0.00 C ATOM 0 H ILE A 21 1.376 6.800 5.131 1.00 0.00 H new ATOM 0 HA ILE A 21 0.189 4.290 5.455 1.00 0.00 H new ATOM 0 HB ILE A 21 1.382 5.676 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.563 5.410 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.599 6.738 4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.067 4.128 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.157 3.236 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.530 3.290 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.762 7.390 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.001 7.396 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.979 6.047 1.423 1.00 0.00 H new ATOM 308 N GLU A 22 3.357 4.177 4.414 1.00 0.00 N ATOM 309 CA GLU A 22 4.518 3.313 4.260 1.00 0.00 C ATOM 310 C GLU A 22 4.903 2.672 5.596 1.00 0.00 C ATOM 311 O GLU A 22 5.092 1.459 5.665 1.00 0.00 O ATOM 312 CB GLU A 22 5.667 4.120 3.644 1.00 0.00 C ATOM 313 CG GLU A 22 6.816 3.221 3.176 1.00 0.00 C ATOM 314 CD GLU A 22 7.851 4.026 2.396 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.505 4.465 1.277 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.968 4.193 2.932 1.00 0.00 O ATOM 0 H GLU A 22 3.514 5.134 4.099 1.00 0.00 H new ATOM 0 HA GLU A 22 4.280 2.491 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.292 4.697 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.042 4.834 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.289 2.750 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.425 2.420 2.549 1.00 0.00 H new ATOM 323 N GLY A 23 4.998 3.485 6.655 1.00 0.00 N ATOM 324 CA GLY A 23 5.333 3.042 7.999 1.00 0.00 C ATOM 325 C GLY A 23 4.382 1.954 8.498 1.00 0.00 C ATOM 326 O GLY A 23 4.829 0.879 8.891 1.00 0.00 O ATOM 0 H GLY A 23 4.839 4.491 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.355 2.664 8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.300 3.893 8.680 1.00 0.00 H new ATOM 330 N VAL A 24 3.072 2.228 8.484 1.00 0.00 N ATOM 331 CA VAL A 24 2.067 1.293 8.971 1.00 0.00 C ATOM 332 C VAL A 24 2.071 0.008 8.137 1.00 0.00 C ATOM 333 O VAL A 24 2.224 -1.081 8.687 1.00 0.00 O ATOM 334 CB VAL A 24 0.688 1.977 9.012 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.434 0.972 9.308 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.682 3.049 10.111 1.00 0.00 C ATOM 0 H VAL A 24 2.686 3.105 8.134 1.00 0.00 H new ATOM 0 HA VAL A 24 2.310 0.997 9.991 1.00 0.00 H new ATOM 0 HB VAL A 24 0.510 2.422 8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.392 1.492 9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.453 0.208 8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.255 0.501 10.275 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.294 3.534 10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.885 2.583 11.075 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.450 3.792 9.898 1.00 0.00 H new ATOM 346 N ILE A 25 1.900 0.138 6.817 1.00 0.00 N ATOM 347 CA ILE A 25 1.738 -0.992 5.912 1.00 0.00 C ATOM 348 C ILE A 25 2.984 -1.887 5.891 1.00 0.00 C ATOM 349 O ILE A 25 2.840 -3.106 5.821 1.00 0.00 O ATOM 350 CB ILE A 25 1.309 -0.511 4.513 1.00 0.00 C ATOM 351 CG1 ILE A 25 -0.017 0.281 4.528 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.190 -1.694 3.540 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.260 -0.527 4.917 1.00 0.00 C ATOM 0 H ILE A 25 1.871 1.043 6.347 1.00 0.00 H new ATOM 0 HA ILE A 25 0.932 -1.623 6.288 1.00 0.00 H new ATOM 0 HB ILE A 25 2.092 0.167 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.085 1.115 5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.177 0.708 3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.886 -1.329 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.154 -2.196 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.445 -2.398 3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.136 0.121 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.398 -1.346 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.131 -0.932 5.921 1.00 0.00 H new ATOM 365 N SER A 26 4.196 -1.316 5.969 1.00 0.00 N ATOM 366 CA SER A 26 5.433 -2.097 6.001 1.00 0.00 C ATOM 367 C SER A 26 5.432 -3.148 7.117 1.00 0.00 C ATOM 368 O SER A 26 5.988 -4.229 6.934 1.00 0.00 O ATOM 369 CB SER A 26 6.664 -1.188 6.119 1.00 0.00 C ATOM 370 OG SER A 26 6.665 -0.471 7.333 1.00 0.00 O ATOM 0 H SER A 26 4.341 -0.307 6.011 1.00 0.00 H new ATOM 0 HA SER A 26 5.486 -2.631 5.052 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.570 -1.790 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.682 -0.489 5.283 1.00 0.00 H new ATOM 0 HG SER A 26 5.779 -0.079 7.482 1.00 0.00 H new ATOM 376 N LYS A 27 4.810 -2.835 8.262 1.00 0.00 N ATOM 377 CA LYS A 27 4.790 -3.702 9.432 1.00 0.00 C ATOM 378 C LYS A 27 3.604 -4.677 9.427 1.00 0.00 C ATOM 379 O LYS A 27 3.477 -5.466 10.361 1.00 0.00 O ATOM 380 CB LYS A 27 4.794 -2.838 10.702 1.00 0.00 C ATOM 381 CG LYS A 27 6.084 -2.009 10.803 1.00 0.00 C ATOM 382 CD LYS A 27 6.204 -1.249 12.133 1.00 0.00 C ATOM 383 CE LYS A 27 5.609 0.164 12.093 1.00 0.00 C ATOM 384 NZ LYS A 27 4.165 0.165 11.818 1.00 0.00 N ATOM 0 H LYS A 27 4.303 -1.960 8.396 1.00 0.00 H new ATOM 0 HA LYS A 27 5.686 -4.322 9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.930 -2.173 10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.699 -3.476 11.580 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.944 -2.669 10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.117 -1.296 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.705 -1.822 12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.256 -1.183 12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.793 0.658 13.047 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.121 0.748 11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.753 1.068 12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.006 0.044 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.713 -0.617 12.334 1.00 0.00 H new ATOM 398 N LYS A 28 2.744 -4.655 8.397 1.00 0.00 N ATOM 399 CA LYS A 28 1.658 -5.623 8.275 1.00 0.00 C ATOM 400 C LYS A 28 2.241 -6.989 7.891 1.00 0.00 C ATOM 401 O LYS A 28 3.202 -7.045 7.124 1.00 0.00 O ATOM 402 CB LYS A 28 0.634 -5.159 7.228 1.00 0.00 C ATOM 403 CG LYS A 28 -0.077 -3.859 7.624 1.00 0.00 C ATOM 404 CD LYS A 28 -1.118 -4.064 8.730 1.00 0.00 C ATOM 405 CE LYS A 28 -1.795 -2.730 9.052 1.00 0.00 C ATOM 406 NZ LYS A 28 -2.826 -2.889 10.091 1.00 0.00 N ATOM 0 H LYS A 28 2.785 -3.974 7.639 1.00 0.00 H new ATOM 0 HA LYS A 28 1.142 -5.707 9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.139 -5.015 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.109 -5.943 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.664 -3.133 7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.565 -3.435 6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.863 -4.794 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.640 -4.466 9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.047 -2.012 9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.247 -2.322 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.266 -1.967 10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.552 -3.556 9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.389 -3.256 10.961 1.00 0.00 H new ATOM 420 N PRO A 29 1.683 -8.094 8.414 1.00 0.00 N ATOM 421 CA PRO A 29 2.218 -9.427 8.198 1.00 0.00 C ATOM 422 C PRO A 29 2.127 -9.800 6.720 1.00 0.00 C ATOM 423 O PRO A 29 1.068 -9.679 6.108 1.00 0.00 O ATOM 424 CB PRO A 29 1.387 -10.359 9.085 1.00 0.00 C ATOM 425 CG PRO A 29 0.059 -9.618 9.231 1.00 0.00 C ATOM 426 CD PRO A 29 0.491 -8.152 9.244 1.00 0.00 C ATOM 0 HA PRO A 29 3.274 -9.498 8.459 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.252 -11.338 8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.863 -10.524 10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.618 -9.833 8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.460 -9.895 10.148 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.294 -7.507 8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.702 -7.813 10.258 1.00 0.00 H new ATOM 434 N GLY A 30 3.257 -10.240 6.156 1.00 0.00 N ATOM 435 CA GLY A 30 3.373 -10.617 4.759 1.00 0.00 C ATOM 436 C GLY A 30 4.119 -9.573 3.939 1.00 0.00 C ATOM 437 O GLY A 30 4.844 -9.949 3.021 1.00 0.00 O ATOM 0 H GLY A 30 4.129 -10.343 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.892 -11.573 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.377 -10.761 4.340 1.00 0.00 H new ATOM 441 N VAL A 31 3.945 -8.281 4.249 1.00 0.00 N ATOM 442 CA VAL A 31 4.569 -7.201 3.497 1.00 0.00 C ATOM 443 C VAL A 31 6.085 -7.253 3.686 1.00 0.00 C ATOM 444 O VAL A 31 6.568 -7.208 4.815 1.00 0.00 O ATOM 445 CB VAL A 31 3.995 -5.836 3.914 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.672 -4.708 3.122 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.486 -5.795 3.647 1.00 0.00 C ATOM 0 H VAL A 31 3.368 -7.963 5.028 1.00 0.00 H new ATOM 0 HA VAL A 31 4.348 -7.331 2.438 1.00 0.00 H new ATOM 0 HB VAL A 31 4.184 -5.696 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.256 -3.748 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.744 -4.718 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.498 -4.856 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.090 -4.824 3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.300 -5.951 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.994 -6.580 4.221 1.00 0.00 H new ATOM 457 N LYS A 32 6.820 -7.344 2.571 1.00 0.00 N ATOM 458 CA LYS A 32 8.273 -7.340 2.549 1.00 0.00 C ATOM 459 C LYS A 32 8.738 -5.915 2.246 1.00 0.00 C ATOM 460 O LYS A 32 8.802 -5.095 3.161 1.00 0.00 O ATOM 461 CB LYS A 32 8.784 -8.393 1.552 1.00 0.00 C ATOM 462 CG LYS A 32 8.336 -9.797 1.979 1.00 0.00 C ATOM 463 CD LYS A 32 9.006 -10.877 1.124 1.00 0.00 C ATOM 464 CE LYS A 32 8.508 -12.264 1.542 1.00 0.00 C ATOM 465 NZ LYS A 32 9.226 -13.330 0.825 1.00 0.00 N ATOM 0 H LYS A 32 6.404 -7.424 1.643 1.00 0.00 H new ATOM 0 HA LYS A 32 8.695 -7.623 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.406 -8.172 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.872 -8.353 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.582 -9.956 3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.253 -9.879 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.786 -10.706 0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.089 -10.822 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.642 -12.392 2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.440 -12.344 1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.719 -14.230 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.280 -13.093 -0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.188 -13.421 1.211 1.00 0.00 H new ATOM 479 N SER A 33 9.048 -5.608 0.980 1.00 0.00 N ATOM 480 CA SER A 33 9.418 -4.267 0.552 1.00 0.00 C ATOM 481 C SER A 33 8.169 -3.490 0.130 1.00 0.00 C ATOM 482 O SER A 33 7.218 -4.067 -0.399 1.00 0.00 O ATOM 483 CB SER A 33 10.444 -4.343 -0.583 1.00 0.00 C ATOM 484 OG SER A 33 9.939 -5.097 -1.662 1.00 0.00 O ATOM 0 H SER A 33 9.047 -6.293 0.224 1.00 0.00 H new ATOM 0 HA SER A 33 9.879 -3.734 1.384 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.695 -3.338 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.366 -4.795 -0.217 1.00 0.00 H new ATOM 0 HG SER A 33 10.542 -5.014 -2.430 1.00 0.00 H new ATOM 490 N ILE A 34 8.192 -2.175 0.366 1.00 0.00 N ATOM 491 CA ILE A 34 7.130 -1.249 0.010 1.00 0.00 C ATOM 492 C ILE A 34 7.742 0.121 -0.274 1.00 0.00 C ATOM 493 O ILE A 34 8.688 0.529 0.399 1.00 0.00 O ATOM 494 CB ILE A 34 6.045 -1.195 1.104 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.004 -0.115 0.754 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.631 -0.950 2.501 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.738 -0.193 1.606 1.00 0.00 C ATOM 0 H ILE A 34 8.979 -1.718 0.826 1.00 0.00 H new ATOM 0 HA ILE A 34 6.627 -1.596 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 34 5.561 -2.171 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.456 0.869 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.732 -0.210 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.825 -0.921 3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.321 -1.755 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.164 0.001 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.049 0.596 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.263 -1.163 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.998 -0.067 2.657 1.00 0.00 H new ATOM 509 N ARG A 35 7.190 0.823 -1.270 1.00 0.00 N ATOM 510 CA ARG A 35 7.494 2.217 -1.543 1.00 0.00 C ATOM 511 C ARG A 35 6.207 2.946 -1.932 1.00 0.00 C ATOM 512 O ARG A 35 5.448 2.463 -2.772 1.00 0.00 O ATOM 513 CB ARG A 35 8.640 2.385 -2.557 1.00 0.00 C ATOM 514 CG ARG A 35 8.434 1.829 -3.978 1.00 0.00 C ATOM 515 CD ARG A 35 8.958 0.401 -4.185 1.00 0.00 C ATOM 516 NE ARG A 35 8.037 -0.623 -3.679 1.00 0.00 N ATOM 517 CZ ARG A 35 8.335 -1.926 -3.551 1.00 0.00 C ATOM 518 NH1 ARG A 35 9.549 -2.398 -3.864 1.00 0.00 N ATOM 519 NH2 ARG A 35 7.395 -2.764 -3.103 1.00 0.00 N ATOM 0 H ARG A 35 6.509 0.424 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 35 7.877 2.685 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.857 3.450 -2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.528 1.912 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.370 1.849 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.929 2.491 -4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.132 0.233 -5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.921 0.296 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 35 7.102 -0.323 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.270 -1.763 -4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.752 -3.392 -3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.468 -2.411 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.604 -3.757 -3.000 1.00 0.00 H new ATOM 533 N VAL A 36 5.963 4.097 -1.292 1.00 0.00 N ATOM 534 CA VAL A 36 4.775 4.923 -1.464 1.00 0.00 C ATOM 535 C VAL A 36 5.192 6.270 -2.062 1.00 0.00 C ATOM 536 O VAL A 36 6.297 6.744 -1.799 1.00 0.00 O ATOM 537 CB VAL A 36 4.054 5.056 -0.108 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.773 5.890 -0.214 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.683 3.677 0.454 1.00 0.00 C ATOM 0 H VAL A 36 6.618 4.488 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 36 4.068 4.468 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 36 4.753 5.561 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.300 5.956 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.019 6.892 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.088 5.416 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.176 3.799 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.022 3.165 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.588 3.086 0.596 1.00 0.00 H new ATOM 549 N SER A 37 4.317 6.875 -2.879 1.00 0.00 N ATOM 550 CA SER A 37 4.599 8.105 -3.609 1.00 0.00 C ATOM 551 C SER A 37 3.385 9.035 -3.594 1.00 0.00 C ATOM 552 O SER A 37 2.276 8.618 -3.925 1.00 0.00 O ATOM 553 CB SER A 37 4.981 7.756 -5.051 1.00 0.00 C ATOM 554 OG SER A 37 5.189 8.930 -5.812 1.00 0.00 O ATOM 0 H SER A 37 3.379 6.511 -3.049 1.00 0.00 H new ATOM 0 HA SER A 37 5.426 8.625 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.886 7.149 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.193 7.157 -5.506 1.00 0.00 H new ATOM 0 HG SER A 37 6.150 9.109 -5.882 1.00 0.00 H new ATOM 560 N LEU A 38 3.623 10.303 -3.233 1.00 0.00 N ATOM 561 CA LEU A 38 2.666 11.396 -3.346 1.00 0.00 C ATOM 562 C LEU A 38 2.502 11.773 -4.819 1.00 0.00 C ATOM 563 O LEU A 38 1.380 11.872 -5.309 1.00 0.00 O ATOM 564 CB LEU A 38 3.179 12.593 -2.528 1.00 0.00 C ATOM 565 CG LEU A 38 2.289 13.846 -2.599 1.00 0.00 C ATOM 566 CD1 LEU A 38 0.936 13.621 -1.914 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.019 15.008 -1.917 1.00 0.00 C ATOM 0 H LEU A 38 4.518 10.599 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 38 1.694 11.094 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.274 12.290 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.178 12.853 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 38 2.096 14.073 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.337 14.529 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.412 12.800 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.096 13.374 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.399 15.903 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.216 14.753 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.963 15.196 -2.429 1.00 0.00 H new ATOM 579 N ALA A 39 3.631 11.980 -5.512 1.00 0.00 N ATOM 580 CA ALA A 39 3.682 12.389 -6.909 1.00 0.00 C ATOM 581 C ALA A 39 2.845 11.468 -7.797 1.00 0.00 C ATOM 582 O ALA A 39 2.054 11.948 -8.606 1.00 0.00 O ATOM 583 CB ALA A 39 5.140 12.419 -7.378 1.00 0.00 C ATOM 0 H ALA A 39 4.556 11.862 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 39 3.255 13.388 -6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.180 12.725 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.703 13.128 -6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.576 11.426 -7.274 1.00 0.00 H new ATOM 589 N ASN A 40 3.011 10.151 -7.630 1.00 0.00 N ATOM 590 CA ASN A 40 2.264 9.149 -8.381 1.00 0.00 C ATOM 591 C ASN A 40 0.957 8.768 -7.672 1.00 0.00 C ATOM 592 O ASN A 40 0.140 8.066 -8.264 1.00 0.00 O ATOM 593 CB ASN A 40 3.142 7.915 -8.614 1.00 0.00 C ATOM 594 CG ASN A 40 4.397 8.241 -9.420 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.389 8.162 -10.645 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.484 8.605 -8.734 1.00 0.00 N ATOM 0 H ASN A 40 3.673 9.753 -6.964 1.00 0.00 H new ATOM 0 HA ASN A 40 1.991 9.577 -9.345 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.430 7.490 -7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.564 7.154 -9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.348 8.829 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.450 8.659 -7.716 1.00 0.00 H new ATOM 603 N SER A 41 0.753 9.228 -6.426 1.00 0.00 N ATOM 604 CA SER A 41 -0.449 9.002 -5.630 1.00 0.00 C ATOM 605 C SER A 41 -0.784 7.511 -5.569 1.00 0.00 C ATOM 606 O SER A 41 -1.875 7.094 -5.958 1.00 0.00 O ATOM 607 CB SER A 41 -1.606 9.854 -6.168 1.00 0.00 C ATOM 608 OG SER A 41 -1.312 11.228 -6.015 1.00 0.00 O ATOM 0 H SER A 41 1.450 9.787 -5.934 1.00 0.00 H new ATOM 0 HA SER A 41 -0.270 9.320 -4.603 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.777 9.626 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.525 9.610 -5.636 1.00 0.00 H new ATOM 0 HG SER A 41 -0.373 11.335 -5.757 1.00 0.00 H new ATOM 614 N ASN A 42 0.172 6.705 -5.094 1.00 0.00 N ATOM 615 CA ASN A 42 0.051 5.255 -5.089 1.00 0.00 C ATOM 616 C ASN A 42 1.043 4.613 -4.119 1.00 0.00 C ATOM 617 O ASN A 42 1.914 5.287 -3.569 1.00 0.00 O ATOM 618 CB ASN A 42 0.197 4.699 -6.520 1.00 0.00 C ATOM 619 CG ASN A 42 1.576 4.907 -7.148 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.506 5.396 -6.513 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.710 4.523 -8.418 1.00 0.00 N ATOM 0 H ASN A 42 1.050 7.047 -4.703 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.945 4.995 -4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.023 3.632 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.552 5.170 -7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.607 4.632 -8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.916 4.120 -8.916 1.00 0.00 H new ATOM 628 N GLY A 43 0.889 3.298 -3.927 1.00 0.00 N ATOM 629 CA GLY A 43 1.733 2.462 -3.094 1.00 0.00 C ATOM 630 C GLY A 43 2.036 1.162 -3.829 1.00 0.00 C ATOM 631 O GLY A 43 1.115 0.412 -4.147 1.00 0.00 O ATOM 0 H GLY A 43 0.136 2.773 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.660 2.984 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.235 2.251 -2.148 1.00 0.00 H new ATOM 635 N THR A 44 3.324 0.902 -4.087 1.00 0.00 N ATOM 636 CA THR A 44 3.812 -0.313 -4.727 1.00 0.00 C ATOM 637 C THR A 44 4.318 -1.231 -3.620 1.00 0.00 C ATOM 638 O THR A 44 5.194 -0.833 -2.852 1.00 0.00 O ATOM 639 CB THR A 44 4.923 0.042 -5.726 1.00 0.00 C ATOM 640 OG1 THR A 44 4.397 0.885 -6.730 1.00 0.00 O ATOM 641 CG2 THR A 44 5.517 -1.208 -6.385 1.00 0.00 C ATOM 0 H THR A 44 4.071 1.553 -3.847 1.00 0.00 H new ATOM 0 HA THR A 44 3.026 -0.818 -5.289 1.00 0.00 H new ATOM 0 HB THR A 44 5.717 0.547 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.104 1.115 -7.368 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.299 -0.914 -7.085 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.941 -1.857 -5.619 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.734 -1.744 -6.921 1.00 0.00 H new ATOM 649 N VAL A 45 3.751 -2.442 -3.533 1.00 0.00 N ATOM 650 CA VAL A 45 3.947 -3.364 -2.422 1.00 0.00 C ATOM 651 C VAL A 45 4.336 -4.747 -2.948 1.00 0.00 C ATOM 652 O VAL A 45 3.745 -5.231 -3.912 1.00 0.00 O ATOM 653 CB VAL A 45 2.655 -3.454 -1.584 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.946 -4.135 -0.241 1.00 0.00 C ATOM 655 CG2 VAL A 45 2.028 -2.078 -1.313 1.00 0.00 C ATOM 0 H VAL A 45 3.130 -2.810 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 45 4.754 -2.994 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 45 1.945 -4.039 -2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.028 -4.194 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.329 -5.140 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.689 -3.556 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.122 -2.201 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.737 -1.456 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.779 -1.599 -2.260 1.00 0.00 H new ATOM 665 N GLU A 46 5.320 -5.379 -2.296 1.00 0.00 N ATOM 666 CA GLU A 46 5.689 -6.776 -2.492 1.00 0.00 C ATOM 667 C GLU A 46 5.338 -7.503 -1.195 1.00 0.00 C ATOM 668 O GLU A 46 5.698 -7.032 -0.116 1.00 0.00 O ATOM 669 CB GLU A 46 7.177 -6.888 -2.829 1.00 0.00 C ATOM 670 CG GLU A 46 7.473 -6.234 -4.185 1.00 0.00 C ATOM 671 CD GLU A 46 8.953 -6.315 -4.544 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.426 -7.453 -4.755 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.585 -5.238 -4.601 1.00 0.00 O ATOM 0 H GLU A 46 5.896 -4.912 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 46 5.152 -7.224 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.769 -6.408 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.472 -7.937 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.884 -6.724 -4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.162 -5.190 -4.160 1.00 0.00 H new ATOM 680 N TYR A 47 4.614 -8.626 -1.295 1.00 0.00 N ATOM 681 CA TYR A 47 4.004 -9.274 -0.141 1.00 0.00 C ATOM 682 C TYR A 47 3.878 -10.789 -0.312 1.00 0.00 C ATOM 683 O TYR A 47 4.075 -11.314 -1.406 1.00 0.00 O ATOM 684 CB TYR A 47 2.616 -8.656 0.076 1.00 0.00 C ATOM 685 CG TYR A 47 1.659 -8.932 -1.071 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.720 -8.153 -2.241 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.732 -9.987 -0.987 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.947 -8.504 -3.358 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.084 -10.303 -2.088 1.00 0.00 C ATOM 690 CZ TYR A 47 0.035 -9.568 -3.281 1.00 0.00 C ATOM 691 OH TYR A 47 -0.722 -9.883 -4.370 1.00 0.00 O ATOM 0 H TYR A 47 4.439 -9.105 -2.179 1.00 0.00 H new ATOM 0 HA TYR A 47 4.648 -9.112 0.723 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.190 -9.048 1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.720 -7.579 0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.362 -7.285 -2.279 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.647 -10.556 -0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.054 -7.953 -4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.800 -11.108 -2.017 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.349 -9.448 -5.165 1.00 0.00 H new ATOM 701 N ASP A 48 3.521 -11.470 0.787 1.00 0.00 N ATOM 702 CA ASP A 48 3.211 -12.894 0.841 1.00 0.00 C ATOM 703 C ASP A 48 1.686 -13.092 0.774 1.00 0.00 C ATOM 704 O ASP A 48 0.996 -12.694 1.713 1.00 0.00 O ATOM 705 CB ASP A 48 3.773 -13.479 2.145 1.00 0.00 C ATOM 706 CG ASP A 48 3.487 -14.971 2.339 1.00 0.00 C ATOM 707 OD1 ASP A 48 3.000 -15.615 1.385 1.00 0.00 O ATOM 708 OD2 ASP A 48 3.765 -15.447 3.461 1.00 0.00 O ATOM 0 H ASP A 48 3.439 -11.018 1.698 1.00 0.00 H new ATOM 0 HA ASP A 48 3.665 -13.408 -0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.851 -13.322 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.355 -12.928 2.987 1.00 0.00 H new ATOM 713 N PRO A 49 1.156 -13.717 -0.297 1.00 0.00 N ATOM 714 CA PRO A 49 -0.249 -14.087 -0.453 1.00 0.00 C ATOM 715 C PRO A 49 -0.873 -14.733 0.784 1.00 0.00 C ATOM 716 O PRO A 49 -2.017 -14.442 1.124 1.00 0.00 O ATOM 717 CB PRO A 49 -0.289 -15.064 -1.631 1.00 0.00 C ATOM 718 CG PRO A 49 0.866 -14.579 -2.493 1.00 0.00 C ATOM 719 CD PRO A 49 1.904 -14.155 -1.462 1.00 0.00 C ATOM 0 HA PRO A 49 -0.838 -13.185 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.150 -16.096 -1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.239 -15.021 -2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.242 -15.367 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.571 -13.749 -3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.566 -14.984 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.531 -13.351 -1.848 1.00 0.00 H new ATOM 727 N LEU A 50 -0.119 -15.622 1.441 1.00 0.00 N ATOM 728 CA LEU A 50 -0.590 -16.410 2.571 1.00 0.00 C ATOM 729 C LEU A 50 -1.006 -15.526 3.750 1.00 0.00 C ATOM 730 O LEU A 50 -1.920 -15.890 4.488 1.00 0.00 O ATOM 731 CB LEU A 50 0.503 -17.398 3.008 1.00 0.00 C ATOM 732 CG LEU A 50 0.994 -18.340 1.893 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.154 -19.186 2.429 1.00 0.00 C ATOM 734 CD2 LEU A 50 -0.121 -19.263 1.389 1.00 0.00 C ATOM 0 H LEU A 50 0.852 -15.813 1.193 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.474 -16.961 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.354 -16.834 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.123 -18.000 3.833 1.00 0.00 H new ATOM 0 HG LEU A 50 1.321 -17.728 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.508 -19.856 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.968 -18.531 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.813 -19.773 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.269 -19.910 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.488 -19.874 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.939 -18.662 0.991 1.00 0.00 H new ATOM 746 N LEU A 51 -0.333 -14.382 3.932 1.00 0.00 N ATOM 747 CA LEU A 51 -0.508 -13.506 5.084 1.00 0.00 C ATOM 748 C LEU A 51 -1.299 -12.241 4.735 1.00 0.00 C ATOM 749 O LEU A 51 -1.974 -11.700 5.610 1.00 0.00 O ATOM 750 CB LEU A 51 0.869 -13.167 5.668 1.00 0.00 C ATOM 751 CG LEU A 51 1.633 -14.393 6.202 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.047 -13.969 6.613 1.00 0.00 C ATOM 753 CD2 LEU A 51 0.934 -15.032 7.409 1.00 0.00 C ATOM 0 H LEU A 51 0.360 -14.039 3.267 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.099 -14.031 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.470 -12.681 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.744 -12.447 6.477 1.00 0.00 H new ATOM 0 HG LEU A 51 1.666 -15.134 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.591 -14.834 6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.570 -13.561 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.987 -13.209 7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.510 -15.892 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.860 -14.302 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.066 -15.356 7.121 1.00 0.00 H new ATOM 765 N THR A 52 -1.234 -11.762 3.484 1.00 0.00 N ATOM 766 CA THR A 52 -1.983 -10.588 3.042 1.00 0.00 C ATOM 767 C THR A 52 -2.252 -10.663 1.536 1.00 0.00 C ATOM 768 O THR A 52 -1.613 -11.437 0.829 1.00 0.00 O ATOM 769 CB THR A 52 -1.241 -9.303 3.454 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.040 -8.162 3.220 1.00 0.00 O ATOM 771 CG2 THR A 52 0.089 -9.130 2.717 1.00 0.00 C ATOM 0 H THR A 52 -0.659 -12.182 2.754 1.00 0.00 H new ATOM 0 HA THR A 52 -2.956 -10.567 3.533 1.00 0.00 H new ATOM 0 HB THR A 52 -1.033 -9.404 4.519 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.549 -7.358 3.491 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.570 -8.209 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.739 -9.977 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.094 -9.081 1.643 1.00 0.00 H new ATOM 779 N SER A 53 -3.205 -9.856 1.056 1.00 0.00 N ATOM 780 CA SER A 53 -3.640 -9.785 -0.334 1.00 0.00 C ATOM 781 C SER A 53 -3.793 -8.314 -0.749 1.00 0.00 C ATOM 782 O SER A 53 -3.830 -7.448 0.124 1.00 0.00 O ATOM 783 CB SER A 53 -4.974 -10.534 -0.464 1.00 0.00 C ATOM 784 OG SER A 53 -6.003 -9.826 0.199 1.00 0.00 O ATOM 0 H SER A 53 -3.714 -9.208 1.657 1.00 0.00 H new ATOM 0 HA SER A 53 -2.904 -10.248 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.228 -10.657 -1.517 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.880 -11.534 -0.040 1.00 0.00 H new ATOM 0 HG SER A 53 -6.848 -10.314 0.107 1.00 0.00 H new ATOM 790 N PRO A 54 -3.905 -8.005 -2.055 1.00 0.00 N ATOM 791 CA PRO A 54 -4.182 -6.657 -2.542 1.00 0.00 C ATOM 792 C PRO A 54 -5.425 -6.042 -1.894 1.00 0.00 C ATOM 793 O PRO A 54 -5.442 -4.849 -1.607 1.00 0.00 O ATOM 794 CB PRO A 54 -4.351 -6.788 -4.058 1.00 0.00 C ATOM 795 CG PRO A 54 -3.509 -8.017 -4.389 1.00 0.00 C ATOM 796 CD PRO A 54 -3.774 -8.914 -3.182 1.00 0.00 C ATOM 0 HA PRO A 54 -3.367 -5.981 -2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.395 -6.926 -4.338 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.995 -5.901 -4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.820 -8.486 -5.323 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.452 -7.772 -4.492 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.680 -9.503 -3.320 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.957 -9.618 -3.027 1.00 0.00 H new ATOM 804 N GLU A 55 -6.456 -6.864 -1.661 1.00 0.00 N ATOM 805 CA GLU A 55 -7.708 -6.453 -1.045 1.00 0.00 C ATOM 806 C GLU A 55 -7.482 -6.064 0.419 1.00 0.00 C ATOM 807 O GLU A 55 -8.046 -5.076 0.884 1.00 0.00 O ATOM 808 CB GLU A 55 -8.752 -7.576 -1.150 1.00 0.00 C ATOM 809 CG GLU A 55 -9.167 -7.898 -2.595 1.00 0.00 C ATOM 810 CD GLU A 55 -8.075 -8.585 -3.415 1.00 0.00 C ATOM 811 OE1 GLU A 55 -7.405 -9.475 -2.847 1.00 0.00 O ATOM 812 OE2 GLU A 55 -7.924 -8.204 -4.596 1.00 0.00 O ATOM 0 H GLU A 55 -6.435 -7.854 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.086 -5.581 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.351 -8.478 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.637 -7.292 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.049 -8.538 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.455 -6.973 -3.095 1.00 0.00 H new ATOM 819 N THR A 56 -6.658 -6.834 1.142 1.00 0.00 N ATOM 820 CA THR A 56 -6.314 -6.545 2.529 1.00 0.00 C ATOM 821 C THR A 56 -5.548 -5.223 2.615 1.00 0.00 C ATOM 822 O THR A 56 -5.875 -4.375 3.442 1.00 0.00 O ATOM 823 CB THR A 56 -5.491 -7.698 3.124 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.144 -8.933 2.917 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.264 -7.514 4.628 1.00 0.00 C ATOM 0 H THR A 56 -6.213 -7.675 0.775 1.00 0.00 H new ATOM 0 HA THR A 56 -7.231 -6.448 3.111 1.00 0.00 H new ATOM 0 HB THR A 56 -4.527 -7.693 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.026 -9.213 1.985 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.678 -8.349 5.012 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.726 -6.582 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.226 -7.479 5.140 1.00 0.00 H new ATOM 833 N LEU A 57 -4.532 -5.053 1.758 1.00 0.00 N ATOM 834 CA LEU A 57 -3.709 -3.852 1.700 1.00 0.00 C ATOM 835 C LEU A 57 -4.576 -2.629 1.399 1.00 0.00 C ATOM 836 O LEU A 57 -4.493 -1.628 2.108 1.00 0.00 O ATOM 837 CB LEU A 57 -2.602 -4.028 0.647 1.00 0.00 C ATOM 838 CG LEU A 57 -1.590 -5.127 1.016 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.750 -5.496 -0.212 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.657 -4.687 2.149 1.00 0.00 C ATOM 0 H LEU A 57 -4.260 -5.762 1.077 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.235 -3.692 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.057 -4.269 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.074 -3.083 0.522 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.158 -5.992 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.036 -6.274 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.404 -5.861 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.212 -4.615 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.041 -5.492 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.102 -3.802 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.246 -4.454 3.036 1.00 0.00 H new ATOM 852 N ARG A 58 -5.421 -2.723 0.365 1.00 0.00 N ATOM 853 CA ARG A 58 -6.412 -1.713 0.020 1.00 0.00 C ATOM 854 C ARG A 58 -7.249 -1.346 1.248 1.00 0.00 C ATOM 855 O ARG A 58 -7.384 -0.167 1.565 1.00 0.00 O ATOM 856 CB ARG A 58 -7.289 -2.247 -1.120 1.00 0.00 C ATOM 857 CG ARG A 58 -8.385 -1.259 -1.538 1.00 0.00 C ATOM 858 CD ARG A 58 -9.286 -1.853 -2.623 1.00 0.00 C ATOM 859 NE ARG A 58 -9.961 -3.068 -2.149 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.752 -3.854 -2.895 1.00 0.00 C ATOM 861 NH1 ARG A 58 -11.017 -3.549 -4.173 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.285 -4.957 -2.352 1.00 0.00 N ATOM 0 H ARG A 58 -5.430 -3.525 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.915 -0.803 -0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.660 -2.471 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.750 -3.184 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.987 -0.991 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.928 -0.340 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.030 -1.116 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.691 -2.086 -3.506 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.817 -3.336 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.615 -2.710 -4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.620 -4.156 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.088 -5.193 -1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.888 -5.561 -2.911 1.00 0.00 H new ATOM 876 N GLY A 59 -7.797 -2.354 1.937 1.00 0.00 N ATOM 877 CA GLY A 59 -8.604 -2.185 3.137 1.00 0.00 C ATOM 878 C GLY A 59 -7.864 -1.410 4.228 1.00 0.00 C ATOM 879 O GLY A 59 -8.428 -0.494 4.822 1.00 0.00 O ATOM 0 H GLY A 59 -7.685 -3.330 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.525 -1.660 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.891 -3.164 3.521 1.00 0.00 H new ATOM 883 N ALA A 60 -6.603 -1.773 4.492 1.00 0.00 N ATOM 884 CA ALA A 60 -5.772 -1.120 5.493 1.00 0.00 C ATOM 885 C ALA A 60 -5.552 0.356 5.150 1.00 0.00 C ATOM 886 O ALA A 60 -5.684 1.217 6.015 1.00 0.00 O ATOM 887 CB ALA A 60 -4.443 -1.867 5.626 1.00 0.00 C ATOM 0 H ALA A 60 -6.132 -2.537 4.008 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.286 -1.152 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.823 -1.376 6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.633 -2.896 5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.925 -1.862 4.667 1.00 0.00 H new ATOM 893 N ILE A 61 -5.229 0.655 3.887 1.00 0.00 N ATOM 894 CA ILE A 61 -5.039 2.021 3.413 1.00 0.00 C ATOM 895 C ILE A 61 -6.359 2.803 3.501 1.00 0.00 C ATOM 896 O ILE A 61 -6.360 3.993 3.819 1.00 0.00 O ATOM 897 CB ILE A 61 -4.461 1.999 1.986 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.075 1.324 1.959 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.332 3.431 1.450 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.713 0.801 0.566 1.00 0.00 C ATOM 0 H ILE A 61 -5.092 -0.052 3.164 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.321 2.538 4.050 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.143 1.427 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.319 2.038 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.061 0.498 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.922 3.406 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.315 3.902 1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.667 4.003 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.729 0.334 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.453 0.066 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.699 1.630 -0.142 1.00 0.00 H new ATOM 912 N GLU A 62 -7.490 2.141 3.234 1.00 0.00 N ATOM 913 CA GLU A 62 -8.807 2.742 3.371 1.00 0.00 C ATOM 914 C GLU A 62 -9.075 3.111 4.834 1.00 0.00 C ATOM 915 O GLU A 62 -9.604 4.186 5.107 1.00 0.00 O ATOM 916 CB GLU A 62 -9.877 1.805 2.791 1.00 0.00 C ATOM 917 CG GLU A 62 -11.196 2.532 2.500 1.00 0.00 C ATOM 918 CD GLU A 62 -11.044 3.591 1.407 1.00 0.00 C ATOM 919 OE1 GLU A 62 -10.610 3.211 0.297 1.00 0.00 O ATOM 920 OE2 GLU A 62 -11.364 4.763 1.700 1.00 0.00 O ATOM 0 H GLU A 62 -7.510 1.172 2.917 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.848 3.669 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.502 1.356 1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.061 0.991 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.950 1.805 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.557 3.004 3.413 1.00 0.00 H new ATOM 927 N ASP A 63 -8.690 2.230 5.768 1.00 0.00 N ATOM 928 CA ASP A 63 -8.795 2.472 7.201 1.00 0.00 C ATOM 929 C ASP A 63 -7.921 3.656 7.631 1.00 0.00 C ATOM 930 O ASP A 63 -8.363 4.464 8.446 1.00 0.00 O ATOM 931 CB ASP A 63 -8.448 1.195 7.977 1.00 0.00 C ATOM 932 CG ASP A 63 -8.610 1.393 9.481 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.770 1.322 9.943 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.572 1.613 10.143 1.00 0.00 O ATOM 0 H ASP A 63 -8.292 1.319 5.539 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.825 2.740 7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.091 0.380 7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.422 0.901 7.756 1.00 0.00 H new ATOM 939 N MET A 64 -6.700 3.772 7.085 1.00 0.00 N ATOM 940 CA MET A 64 -5.836 4.930 7.310 1.00 0.00 C ATOM 941 C MET A 64 -6.552 6.225 6.910 1.00 0.00 C ATOM 942 O MET A 64 -6.439 7.225 7.616 1.00 0.00 O ATOM 943 CB MET A 64 -4.508 4.789 6.551 1.00 0.00 C ATOM 944 CG MET A 64 -3.585 3.727 7.158 1.00 0.00 C ATOM 945 SD MET A 64 -2.868 4.147 8.768 1.00 0.00 S ATOM 946 CE MET A 64 -1.721 5.463 8.280 1.00 0.00 C ATOM 0 H MET A 64 -6.289 3.064 6.477 1.00 0.00 H new ATOM 0 HA MET A 64 -5.609 4.976 8.375 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.715 4.533 5.512 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.994 5.750 6.546 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.146 2.798 7.261 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.773 3.533 6.457 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.049 5.686 9.109 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.139 5.137 7.418 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.285 6.359 8.019 1.00 0.00 H new ATOM 956 N GLY A 65 -7.296 6.196 5.796 1.00 0.00 N ATOM 957 CA GLY A 65 -8.201 7.265 5.393 1.00 0.00 C ATOM 958 C GLY A 65 -7.808 7.846 4.040 1.00 0.00 C ATOM 959 O GLY A 65 -7.626 9.056 3.919 1.00 0.00 O ATOM 0 H GLY A 65 -7.281 5.413 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.220 6.882 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.193 8.054 6.145 1.00 0.00 H new ATOM 963 N PHE A 66 -7.687 6.980 3.028 1.00 0.00 N ATOM 964 CA PHE A 66 -7.415 7.366 1.651 1.00 0.00 C ATOM 965 C PHE A 66 -8.244 6.489 0.723 1.00 0.00 C ATOM 966 O PHE A 66 -8.429 5.309 1.010 1.00 0.00 O ATOM 967 CB PHE A 66 -5.928 7.189 1.341 1.00 0.00 C ATOM 968 CG PHE A 66 -5.010 7.944 2.277 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.759 9.308 2.053 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.427 7.292 3.381 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.966 10.033 2.956 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.625 8.016 4.278 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.405 9.389 4.073 1.00 0.00 C ATOM 0 H PHE A 66 -7.778 5.972 3.152 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.679 8.413 1.505 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.682 6.128 1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.739 7.518 0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.176 9.799 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.596 6.237 3.537 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.787 11.085 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.177 7.518 5.125 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.805 9.950 4.774 1.00 0.00 H new ATOM 983 N ASP A 67 -8.728 7.052 -0.389 1.00 0.00 N ATOM 984 CA ASP A 67 -9.477 6.293 -1.377 1.00 0.00 C ATOM 985 C ASP A 67 -8.509 5.347 -2.089 1.00 0.00 C ATOM 986 O ASP A 67 -7.777 5.758 -2.990 1.00 0.00 O ATOM 987 CB ASP A 67 -10.190 7.250 -2.339 1.00 0.00 C ATOM 988 CG ASP A 67 -10.955 6.525 -3.449 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.306 5.343 -3.241 1.00 0.00 O ATOM 990 OD2 ASP A 67 -11.184 7.173 -4.493 1.00 0.00 O ATOM 0 H ASP A 67 -8.609 8.038 -0.622 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.255 5.692 -0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.884 7.873 -1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.455 7.918 -2.789 1.00 0.00 H new ATOM 995 N ALA A 68 -8.510 4.083 -1.654 1.00 0.00 N ATOM 996 CA ALA A 68 -7.603 3.045 -2.107 1.00 0.00 C ATOM 997 C ALA A 68 -8.314 2.176 -3.141 1.00 0.00 C ATOM 998 O ALA A 68 -9.425 1.708 -2.892 1.00 0.00 O ATOM 999 CB ALA A 68 -7.167 2.213 -0.900 1.00 0.00 C ATOM 0 H ALA A 68 -9.170 3.751 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.719 3.481 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.484 1.428 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.663 2.856 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.043 1.761 -0.434 1.00 0.00 H new ATOM 1005 N THR A 69 -7.676 1.969 -4.298 1.00 0.00 N ATOM 1006 CA THR A 69 -8.218 1.196 -5.408 1.00 0.00 C ATOM 1007 C THR A 69 -7.114 0.307 -5.984 1.00 0.00 C ATOM 1008 O THR A 69 -5.955 0.713 -6.027 1.00 0.00 O ATOM 1009 CB THR A 69 -8.787 2.146 -6.474 1.00 0.00 C ATOM 1010 OG1 THR A 69 -7.795 3.052 -6.912 1.00 0.00 O ATOM 1011 CG2 THR A 69 -9.988 2.942 -5.950 1.00 0.00 C ATOM 0 H THR A 69 -6.747 2.345 -4.488 1.00 0.00 H new ATOM 0 HA THR A 69 -9.031 0.558 -5.061 1.00 0.00 H new ATOM 0 HB THR A 69 -9.118 1.524 -7.306 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.174 3.648 -7.591 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.359 3.601 -6.735 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.778 2.253 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.682 3.539 -5.091 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.469 -0.908 -6.420 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.512 -1.861 -6.970 1.00 0.00 C ATOM 1021 C LEU A 70 -5.964 -1.350 -8.304 1.00 0.00 C ATOM 1022 O LEU A 70 -6.686 -0.709 -9.067 1.00 0.00 O ATOM 1023 CB LEU A 70 -7.168 -3.237 -7.169 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.843 -3.817 -5.915 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -8.428 -5.195 -6.241 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -6.867 -3.951 -4.741 1.00 0.00 C ATOM 0 H LEU A 70 -8.429 -1.253 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.690 -1.966 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.912 -3.158 -7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.409 -3.939 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.631 -3.125 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.907 -5.607 -5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.165 -5.098 -7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.629 -5.862 -6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.390 -4.365 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.049 -4.614 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.467 -2.969 -4.486 1.00 0.00 H new