USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 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 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 LYS NZ :NH3+ -149:sc= 0.202 (180deg=-0.115) USER MOD Set 2.2: A 11 SER OG : rot 14:sc= 0.082 USER MOD Single : A 1 LEU N :NH3+ 149:sc= 1.34 (180deg=0.933) USER MOD Single : A 2 LYS NZ :NH3+ -140:sc= 0.32 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.7) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.17) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 60 ASN : amide:sc= 0.723 K(o=0.72,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.821 12.900 0.132 1.00 2.00 N ATOM 2 CA LEU A 1 0.090 12.097 -0.881 1.00 2.00 C ATOM 3 C LEU A 1 -1.470 12.276 -0.749 1.00 2.00 C ATOM 4 O LEU A 1 -1.987 12.930 0.158 1.00 2.00 O ATOM 5 CB LEU A 1 0.522 10.597 -0.702 1.00 2.00 C ATOM 6 CG LEU A 1 1.035 9.837 -1.956 1.00 2.00 C ATOM 7 CD1 LEU A 1 1.157 8.335 -1.650 1.00 2.00 C ATOM 8 CD2 LEU A 1 0.182 9.987 -3.221 1.00 2.00 C ATOM 0 H1 LEU A 1 1.705 12.416 0.387 1.00 2.00 H new ATOM 0 H2 LEU A 1 1.041 13.838 -0.261 1.00 2.00 H new ATOM 0 H3 LEU A 1 0.230 13.010 0.980 1.00 2.00 H new ATOM 0 HA LEU A 1 0.344 12.439 -1.884 1.00 2.00 H new ATOM 0 HB2 LEU A 1 1.306 10.562 0.055 1.00 2.00 H new ATOM 0 HB3 LEU A 1 -0.331 10.048 -0.303 1.00 2.00 H new ATOM 0 HG LEU A 1 1.997 10.301 -2.172 1.00 2.00 H new ATOM 0 HD11 LEU A 1 1.517 7.811 -2.535 1.00 2.00 H new ATOM 0 HD12 LEU A 1 1.859 8.187 -0.830 1.00 2.00 H new ATOM 0 HD13 LEU A 1 0.181 7.941 -1.367 1.00 2.00 H new ATOM 0 HD21 LEU A 1 0.632 9.416 -4.033 1.00 2.00 H new ATOM 0 HD22 LEU A 1 -0.824 9.613 -3.028 1.00 2.00 H new ATOM 0 HD23 LEU A 1 0.130 11.039 -3.502 1.00 2.00 H new ATOM 22 N LYS A 2 -2.214 11.701 -1.691 1.00 2.00 N ATOM 23 CA LYS A 2 -3.699 11.746 -1.738 1.00 2.00 C ATOM 24 C LYS A 2 -4.044 10.340 -2.319 1.00 2.00 C ATOM 25 O LYS A 2 -3.916 10.133 -3.524 1.00 2.00 O ATOM 26 CB LYS A 2 -4.289 12.910 -2.589 1.00 2.00 C ATOM 27 CG LYS A 2 -4.109 14.353 -2.045 1.00 2.00 C ATOM 28 CD LYS A 2 -2.965 15.152 -2.708 1.00 2.00 C ATOM 29 CE LYS A 2 -3.342 15.746 -4.076 1.00 2.00 C ATOM 30 NZ LYS A 2 -2.178 16.441 -4.665 1.00 2.00 N ATOM 0 H LYS A 2 -1.807 11.177 -2.465 1.00 2.00 H new ATOM 0 HA LYS A 2 -4.138 11.949 -0.761 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -3.838 12.865 -3.580 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.356 12.728 -2.715 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -5.043 14.898 -2.183 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -3.925 14.302 -0.972 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -2.663 15.960 -2.041 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -2.100 14.499 -2.830 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -3.679 14.954 -4.745 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -4.172 16.443 -3.962 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -2.494 17.319 -5.124 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -1.494 16.668 -3.916 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -1.726 15.825 -5.371 1.00 2.00 H new ATOM 43 N CYS A 3 -4.390 9.349 -1.486 1.00 2.00 N ATOM 44 CA CYS A 3 -4.729 7.974 -1.950 1.00 2.00 C ATOM 45 C CYS A 3 -6.245 7.611 -1.916 1.00 2.00 C ATOM 46 O CYS A 3 -7.117 8.475 -1.861 1.00 2.00 O ATOM 47 CB CYS A 3 -3.830 7.072 -1.063 1.00 2.00 C ATOM 48 SG CYS A 3 -2.084 7.376 -1.353 1.00 2.00 S ATOM 0 H CYS A 3 -4.446 9.465 -0.474 1.00 2.00 H new ATOM 0 HA CYS A 3 -4.534 7.846 -3.015 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -4.060 7.251 -0.013 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -4.055 6.025 -1.265 1.00 2.00 H new ATOM 53 N ASN A 4 -6.537 6.312 -2.056 1.00 2.00 N ATOM 54 CA ASN A 4 -7.902 5.739 -2.050 1.00 2.00 C ATOM 55 C ASN A 4 -7.967 4.597 -0.991 1.00 2.00 C ATOM 56 O ASN A 4 -7.184 3.659 -1.139 1.00 2.00 O ATOM 57 CB ASN A 4 -8.201 5.010 -3.403 1.00 2.00 C ATOM 58 CG ASN A 4 -8.452 5.824 -4.650 1.00 2.00 C ATOM 59 OD1 ASN A 4 -9.173 6.806 -4.652 1.00 2.00 O ATOM 60 ND2 ASN A 4 -7.957 5.381 -5.770 1.00 2.00 N ATOM 0 H ASN A 4 -5.813 5.604 -2.181 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.597 6.557 -1.860 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -7.360 4.348 -3.610 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -9.074 4.376 -3.246 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -8.173 5.856 -6.646 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -7.353 4.559 -5.771 1.00 2.00 H new ATOM 67 N LYS A 5 -8.826 4.593 0.052 1.00 2.00 N ATOM 68 CA LYS A 5 -8.835 3.444 1.027 1.00 2.00 C ATOM 69 C LYS A 5 -9.453 2.143 0.358 1.00 2.00 C ATOM 70 O LYS A 5 -9.852 2.178 -0.813 1.00 2.00 O ATOM 71 CB LYS A 5 -9.432 3.844 2.409 1.00 2.00 C ATOM 72 CG LYS A 5 -10.975 3.948 2.548 1.00 2.00 C ATOM 73 CD LYS A 5 -11.511 3.735 3.982 1.00 2.00 C ATOM 74 CE LYS A 5 -11.509 4.955 4.920 1.00 2.00 C ATOM 75 NZ LYS A 5 -10.147 5.348 5.334 1.00 2.00 N ATOM 0 H LYS A 5 -9.501 5.332 0.249 1.00 2.00 H new ATOM 0 HA LYS A 5 -7.807 3.176 1.270 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -9.081 3.119 3.144 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -9.008 4.809 2.686 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -11.292 4.931 2.199 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -11.436 3.212 1.890 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -12.534 3.366 3.909 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -10.921 2.947 4.450 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -11.990 5.795 4.419 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -12.103 4.730 5.805 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -10.180 5.762 6.288 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -9.531 4.510 5.341 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -9.770 6.049 4.665 1.00 2.00 H new ATOM 88 N LEU A 6 -9.535 0.985 1.040 1.00 2.00 N ATOM 89 CA LEU A 6 -10.111 -0.266 0.431 1.00 2.00 C ATOM 90 C LEU A 6 -11.592 -0.179 -0.088 1.00 2.00 C ATOM 91 O LEU A 6 -11.860 -0.512 -1.245 1.00 2.00 O ATOM 92 CB LEU A 6 -9.904 -1.457 1.417 1.00 2.00 C ATOM 93 CG LEU A 6 -10.498 -2.828 0.978 1.00 2.00 C ATOM 94 CD1 LEU A 6 -9.844 -3.365 -0.306 1.00 2.00 C ATOM 95 CD2 LEU A 6 -10.383 -3.869 2.095 1.00 2.00 C ATOM 0 H LEU A 6 -9.218 0.872 2.003 1.00 2.00 H new ATOM 0 HA LEU A 6 -9.553 -0.426 -0.492 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -8.834 -1.584 1.580 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -10.342 -1.186 2.377 1.00 2.00 H new ATOM 0 HG LEU A 6 -11.553 -2.650 0.767 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -10.293 -4.323 -0.570 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -10.000 -2.655 -1.118 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -8.775 -3.499 -0.141 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -10.807 -4.814 1.756 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -9.333 -4.013 2.352 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -10.927 -3.522 2.973 1.00 2.00 H new ATOM 107 N ILE A 7 -12.521 0.247 0.776 1.00 2.00 N ATOM 108 CA ILE A 7 -13.976 0.389 0.459 1.00 2.00 C ATOM 109 C ILE A 7 -14.286 1.242 -0.842 1.00 2.00 C ATOM 110 O ILE A 7 -13.591 2.246 -1.038 1.00 2.00 O ATOM 111 CB ILE A 7 -14.675 0.951 1.766 1.00 2.00 C ATOM 112 CG1 ILE A 7 -14.605 -0.031 2.984 1.00 2.00 C ATOM 113 CG2 ILE A 7 -16.165 1.365 1.598 1.00 2.00 C ATOM 114 CD1 ILE A 7 -14.765 0.627 4.369 1.00 2.00 C ATOM 0 H ILE A 7 -12.295 0.511 1.735 1.00 2.00 H new ATOM 0 HA ILE A 7 -14.387 -0.585 0.195 1.00 2.00 H new ATOM 0 HB ILE A 7 -14.084 1.846 1.960 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -15.382 -0.786 2.866 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -13.648 -0.552 2.956 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -16.549 1.735 2.548 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -16.242 2.149 0.845 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -16.749 0.501 1.283 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -14.702 -0.137 5.144 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -13.973 1.361 4.517 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -15.734 1.123 4.426 1.00 2.00 H new ATOM 126 N PRO A 8 -15.294 0.919 -1.724 1.00 2.00 N ATOM 127 CA PRO A 8 -15.610 1.708 -2.959 1.00 2.00 C ATOM 128 C PRO A 8 -15.543 3.272 -2.935 1.00 2.00 C ATOM 129 O PRO A 8 -14.954 3.859 -3.844 1.00 2.00 O ATOM 130 CB PRO A 8 -16.979 1.136 -3.363 1.00 2.00 C ATOM 131 CG PRO A 8 -16.914 -0.327 -2.926 1.00 2.00 C ATOM 132 CD PRO A 8 -16.124 -0.301 -1.617 1.00 2.00 C ATOM 0 HA PRO A 8 -14.807 1.581 -3.686 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -17.794 1.664 -2.868 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -17.147 1.225 -4.436 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -17.911 -0.742 -2.780 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -16.419 -0.944 -3.676 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -16.786 -0.259 -0.752 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -15.509 -1.194 -1.504 1.00 2.00 H new ATOM 140 N ILE A 9 -16.131 3.946 -1.923 1.00 2.00 N ATOM 141 CA ILE A 9 -16.109 5.449 -1.815 1.00 2.00 C ATOM 142 C ILE A 9 -14.651 6.065 -1.703 1.00 2.00 C ATOM 143 O ILE A 9 -14.367 7.137 -2.244 1.00 2.00 O ATOM 144 CB ILE A 9 -17.130 5.931 -0.717 1.00 2.00 C ATOM 145 CG1 ILE A 9 -17.425 7.459 -0.736 1.00 2.00 C ATOM 146 CG2 ILE A 9 -16.750 5.538 0.736 1.00 2.00 C ATOM 147 CD1 ILE A 9 -18.126 7.971 -2.007 1.00 2.00 C ATOM 0 H ILE A 9 -16.631 3.487 -1.162 1.00 2.00 H new ATOM 0 HA ILE A 9 -16.457 5.861 -2.762 1.00 2.00 H new ATOM 0 HB ILE A 9 -18.031 5.390 -1.007 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -18.045 7.705 0.126 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -16.484 7.997 -0.616 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -17.509 5.911 1.424 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -16.690 4.453 0.815 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -15.784 5.974 0.990 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -18.288 9.046 -1.925 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -17.501 7.763 -2.876 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -19.086 7.467 -2.121 1.00 2.00 H new ATOM 159 N ALA A 10 -13.766 5.393 -0.940 1.00 2.00 N ATOM 160 CA ALA A 10 -12.354 5.763 -0.697 1.00 2.00 C ATOM 161 C ALA A 10 -11.881 7.209 -0.276 1.00 2.00 C ATOM 162 O ALA A 10 -11.847 8.145 -1.085 1.00 2.00 O ATOM 163 CB ALA A 10 -11.640 5.267 -1.976 1.00 2.00 C ATOM 0 H ALA A 10 -14.027 4.536 -0.452 1.00 2.00 H new ATOM 0 HA ALA A 10 -12.099 5.307 0.260 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -10.575 5.490 -1.908 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -11.780 4.191 -2.077 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -12.061 5.770 -2.846 1.00 2.00 H new ATOM 169 N SER A 11 -11.395 7.354 0.976 1.00 2.00 N ATOM 170 CA SER A 11 -10.893 8.646 1.551 1.00 2.00 C ATOM 171 C SER A 11 -9.714 9.297 0.737 1.00 2.00 C ATOM 172 O SER A 11 -8.951 8.566 0.105 1.00 2.00 O ATOM 173 CB SER A 11 -10.454 8.343 3.006 1.00 2.00 C ATOM 174 OG SER A 11 -9.352 7.427 3.064 1.00 2.00 O ATOM 0 H SER A 11 -11.335 6.576 1.632 1.00 2.00 H new ATOM 0 HA SER A 11 -11.694 9.384 1.507 1.00 2.00 H new ATOM 0 HB2 SER A 11 -10.176 9.274 3.500 1.00 2.00 H new ATOM 0 HB3 SER A 11 -11.297 7.928 3.558 1.00 2.00 H new ATOM 0 HG SER A 11 -8.950 7.342 2.174 1.00 2.00 H new ATOM 180 N LYS A 12 -9.522 10.629 0.779 1.00 2.00 N ATOM 181 CA LYS A 12 -8.425 11.313 0.020 1.00 2.00 C ATOM 182 C LYS A 12 -7.002 11.557 0.665 1.00 2.00 C ATOM 183 O LYS A 12 -6.119 10.705 0.559 1.00 2.00 O ATOM 184 CB LYS A 12 -9.116 12.557 -0.631 1.00 2.00 C ATOM 185 CG LYS A 12 -8.304 13.253 -1.749 1.00 2.00 C ATOM 186 CD LYS A 12 -9.029 14.489 -2.311 1.00 2.00 C ATOM 187 CE LYS A 12 -8.226 15.163 -3.433 1.00 2.00 C ATOM 188 NZ LYS A 12 -8.915 16.396 -3.862 1.00 2.00 N ATOM 0 H LYS A 12 -10.104 11.263 1.326 1.00 2.00 H new ATOM 0 HA LYS A 12 -8.029 10.599 -0.702 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -10.076 12.245 -1.042 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -9.326 13.287 0.151 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -7.331 13.551 -1.357 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -8.119 12.544 -2.556 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -10.007 14.194 -2.691 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -9.202 15.205 -1.508 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -7.221 15.399 -3.084 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -8.119 14.482 -4.277 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -8.370 16.852 -4.622 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -9.865 16.159 -4.212 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -8.995 17.047 -3.055 1.00 2.00 H new ATOM 201 N THR A 13 -6.767 12.726 1.280 1.00 2.00 N ATOM 202 CA THR A 13 -5.483 13.134 1.936 1.00 2.00 C ATOM 203 C THR A 13 -4.676 12.109 2.818 1.00 2.00 C ATOM 204 O THR A 13 -5.231 11.383 3.646 1.00 2.00 O ATOM 205 CB THR A 13 -5.793 14.466 2.709 1.00 2.00 C ATOM 206 OG1 THR A 13 -6.382 15.437 1.844 1.00 2.00 O ATOM 207 CG2 THR A 13 -4.584 15.201 3.316 1.00 2.00 C ATOM 0 H THR A 13 -7.482 13.450 1.345 1.00 2.00 H new ATOM 0 HA THR A 13 -4.765 13.234 1.122 1.00 2.00 H new ATOM 0 HB THR A 13 -6.442 14.113 3.510 1.00 2.00 H new ATOM 0 HG1 THR A 13 -6.567 16.256 2.349 1.00 2.00 H new ATOM 0 HG21 THR A 13 -4.924 16.104 3.823 1.00 2.00 H new ATOM 0 HG22 THR A 13 -4.084 14.549 4.032 1.00 2.00 H new ATOM 0 HG23 THR A 13 -3.887 15.471 2.523 1.00 2.00 H new ATOM 215 N CYS A 14 -3.337 12.096 2.635 1.00 2.00 N ATOM 216 CA CYS A 14 -2.386 11.205 3.364 1.00 2.00 C ATOM 217 C CYS A 14 -0.929 11.863 3.455 1.00 2.00 C ATOM 218 O CYS A 14 -0.569 12.636 2.557 1.00 2.00 O ATOM 219 CB CYS A 14 -2.448 9.846 2.622 1.00 2.00 C ATOM 220 SG CYS A 14 -1.970 8.466 3.672 1.00 2.00 S ATOM 0 H CYS A 14 -2.872 12.711 1.968 1.00 2.00 H new ATOM 0 HA CYS A 14 -2.654 11.055 4.410 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -3.460 9.683 2.252 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -1.792 9.880 1.752 1.00 2.00 H new ATOM 225 N PRO A 15 -0.023 11.582 4.444 1.00 2.00 N ATOM 226 CA PRO A 15 1.351 12.201 4.539 1.00 2.00 C ATOM 227 C PRO A 15 2.374 12.381 3.350 1.00 2.00 C ATOM 228 O PRO A 15 2.274 11.767 2.285 1.00 2.00 O ATOM 229 CB PRO A 15 1.963 11.367 5.683 1.00 2.00 C ATOM 230 CG PRO A 15 0.789 11.031 6.598 1.00 2.00 C ATOM 231 CD PRO A 15 -0.362 10.767 5.633 1.00 2.00 C ATOM 0 HA PRO A 15 1.178 13.273 4.634 1.00 2.00 H new ATOM 0 HB2 PRO A 15 2.438 10.463 5.302 1.00 2.00 H new ATOM 0 HB3 PRO A 15 2.730 11.930 6.215 1.00 2.00 H new ATOM 0 HG2 PRO A 15 1.001 10.158 7.216 1.00 2.00 H new ATOM 0 HG3 PRO A 15 0.562 11.854 7.276 1.00 2.00 H new ATOM 0 HD2 PRO A 15 -0.439 9.709 5.383 1.00 2.00 H new ATOM 0 HD3 PRO A 15 -1.319 11.064 6.062 1.00 2.00 H new ATOM 239 N ALA A 16 3.343 13.303 3.548 1.00 2.00 N ATOM 240 CA ALA A 16 4.426 13.643 2.567 1.00 2.00 C ATOM 241 C ALA A 16 5.625 12.653 2.620 1.00 2.00 C ATOM 242 O ALA A 16 5.743 11.890 3.586 1.00 2.00 O ATOM 243 CB ALA A 16 4.832 15.089 2.924 1.00 2.00 C ATOM 0 H ALA A 16 3.405 13.848 4.408 1.00 2.00 H new ATOM 0 HA ALA A 16 4.077 13.560 1.538 1.00 2.00 H new ATOM 0 HB1 ALA A 16 5.624 15.421 2.253 1.00 2.00 H new ATOM 0 HB2 ALA A 16 3.968 15.746 2.819 1.00 2.00 H new ATOM 0 HB3 ALA A 16 5.191 15.123 3.953 1.00 2.00 H new ATOM 249 N GLY A 17 6.578 12.662 1.653 1.00 2.00 N ATOM 250 CA GLY A 17 7.736 11.676 1.699 1.00 2.00 C ATOM 251 C GLY A 17 7.248 10.318 1.077 1.00 2.00 C ATOM 252 O GLY A 17 7.865 9.719 0.198 1.00 2.00 O ATOM 0 H GLY A 17 6.589 13.302 0.858 1.00 2.00 H new ATOM 0 HA2 GLY A 17 8.589 12.065 1.142 1.00 2.00 H new ATOM 0 HA3 GLY A 17 8.068 11.526 2.727 1.00 2.00 H new ATOM 256 N LYS A 18 6.081 9.892 1.591 1.00 2.00 N ATOM 257 CA LYS A 18 5.309 8.698 1.266 1.00 2.00 C ATOM 258 C LYS A 18 4.680 8.964 -0.153 1.00 2.00 C ATOM 259 O LYS A 18 3.673 9.666 -0.280 1.00 2.00 O ATOM 260 CB LYS A 18 4.208 8.570 2.377 1.00 2.00 C ATOM 261 CG LYS A 18 4.595 8.583 3.883 1.00 2.00 C ATOM 262 CD LYS A 18 5.356 7.354 4.410 1.00 2.00 C ATOM 263 CE LYS A 18 6.103 7.588 5.732 1.00 2.00 C ATOM 264 NZ LYS A 18 7.384 8.282 5.496 1.00 2.00 N ATOM 0 H LYS A 18 5.615 10.436 2.317 1.00 2.00 H new ATOM 0 HA LYS A 18 5.890 7.777 1.236 1.00 2.00 H new ATOM 0 HB2 LYS A 18 3.499 9.383 2.221 1.00 2.00 H new ATOM 0 HB3 LYS A 18 3.672 7.639 2.192 1.00 2.00 H new ATOM 0 HG2 LYS A 18 5.204 9.467 4.070 1.00 2.00 H new ATOM 0 HG3 LYS A 18 3.682 8.695 4.468 1.00 2.00 H new ATOM 0 HD2 LYS A 18 4.649 6.535 4.546 1.00 2.00 H new ATOM 0 HD3 LYS A 18 6.073 7.034 3.654 1.00 2.00 H new ATOM 0 HE2 LYS A 18 5.483 8.180 6.405 1.00 2.00 H new ATOM 0 HE3 LYS A 18 6.287 6.633 6.225 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 7.871 8.429 6.403 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 7.982 7.704 4.872 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 7.203 9.202 5.047 1.00 2.00 H new ATOM 277 N ASN A 19 5.345 8.501 -1.218 1.00 2.00 N ATOM 278 CA ASN A 19 4.881 8.669 -2.632 1.00 2.00 C ATOM 279 C ASN A 19 4.042 7.500 -3.255 1.00 2.00 C ATOM 280 O ASN A 19 3.281 7.714 -4.198 1.00 2.00 O ATOM 281 CB ASN A 19 6.123 9.030 -3.500 1.00 2.00 C ATOM 282 CG ASN A 19 7.171 7.934 -3.733 1.00 2.00 C ATOM 283 OD1 ASN A 19 7.068 7.133 -4.651 1.00 2.00 O ATOM 284 ND2 ASN A 19 8.195 7.851 -2.924 1.00 2.00 N ATOM 0 H ASN A 19 6.227 7.994 -1.140 1.00 2.00 H new ATOM 0 HA ASN A 19 4.146 9.474 -2.619 1.00 2.00 H new ATOM 0 HB2 ASN A 19 5.766 9.366 -4.474 1.00 2.00 H new ATOM 0 HB3 ASN A 19 6.623 9.879 -3.034 1.00 2.00 H new ATOM 0 HD21 ASN A 19 8.897 7.124 -3.063 1.00 2.00 H new ATOM 0 HD22 ASN A 19 8.292 8.513 -2.154 1.00 2.00 H new ATOM 291 N LEU A 20 4.213 6.281 -2.744 1.00 2.00 N ATOM 292 CA LEU A 20 3.523 5.064 -3.188 1.00 2.00 C ATOM 293 C LEU A 20 2.118 4.872 -2.542 1.00 2.00 C ATOM 294 O LEU A 20 1.993 4.659 -1.329 1.00 2.00 O ATOM 295 CB LEU A 20 4.415 3.835 -2.815 1.00 2.00 C ATOM 296 CG LEU A 20 5.880 3.714 -3.322 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.604 2.512 -2.700 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.971 3.560 -4.837 1.00 2.00 C ATOM 0 H LEU A 20 4.862 6.104 -1.978 1.00 2.00 H new ATOM 0 HA LEU A 20 3.367 5.154 -4.263 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.451 3.788 -1.727 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.887 2.944 -3.156 1.00 2.00 H new ATOM 0 HG LEU A 20 6.355 4.647 -3.019 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.624 2.465 -3.081 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.627 2.622 -1.616 1.00 2.00 H new ATOM 0 HD13 LEU A 20 6.076 1.595 -2.961 1.00 2.00 H new ATOM 0 HD21 LEU A 20 7.017 3.480 -5.132 1.00 2.00 H new ATOM 0 HD22 LEU A 20 5.438 2.660 -5.144 1.00 2.00 H new ATOM 0 HD23 LEU A 20 5.523 4.429 -5.319 1.00 2.00 H new ATOM 310 N CYS A 21 1.036 4.993 -3.332 1.00 2.00 N ATOM 311 CA CYS A 21 -0.356 4.813 -2.831 1.00 2.00 C ATOM 312 C CYS A 21 -0.444 3.238 -2.857 1.00 2.00 C ATOM 313 O CYS A 21 -0.549 2.608 -3.916 1.00 2.00 O ATOM 314 CB CYS A 21 -1.358 5.513 -3.769 1.00 2.00 C ATOM 315 SG CYS A 21 -1.636 7.228 -3.303 1.00 2.00 S ATOM 0 H CYS A 21 1.090 5.216 -4.326 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.587 5.242 -1.856 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -0.986 5.472 -4.793 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.306 4.975 -3.753 1.00 2.00 H new ATOM 320 N TYR A 22 -0.297 2.598 -1.689 1.00 2.00 N ATOM 321 CA TYR A 22 -0.342 1.123 -1.570 1.00 2.00 C ATOM 322 C TYR A 22 -1.695 0.376 -1.456 1.00 2.00 C ATOM 323 O TYR A 22 -2.739 0.942 -1.143 1.00 2.00 O ATOM 324 CB TYR A 22 0.672 0.728 -0.441 1.00 2.00 C ATOM 325 CG TYR A 22 0.234 0.863 1.038 1.00 2.00 C ATOM 326 CD1 TYR A 22 -0.582 -0.102 1.644 1.00 2.00 C ATOM 327 CD2 TYR A 22 0.693 1.933 1.803 1.00 2.00 C ATOM 328 CE1 TYR A 22 -0.930 0.007 2.989 1.00 2.00 C ATOM 329 CE2 TYR A 22 0.366 2.031 3.155 1.00 2.00 C ATOM 330 CZ TYR A 22 -0.448 1.071 3.744 1.00 2.00 C ATOM 331 OH TYR A 22 -0.780 1.193 5.067 1.00 2.00 O ATOM 0 H TYR A 22 -0.144 3.078 -0.802 1.00 2.00 H new ATOM 0 HA TYR A 22 -0.070 0.759 -2.561 1.00 2.00 H new ATOM 0 HB2 TYR A 22 0.961 -0.310 -0.606 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.568 1.334 -0.576 1.00 2.00 H new ATOM 0 HD1 TYR A 22 -0.944 -0.938 1.063 1.00 2.00 H new ATOM 0 HD2 TYR A 22 1.308 2.694 1.345 1.00 2.00 H new ATOM 0 HE1 TYR A 22 -1.572 -0.733 3.444 1.00 2.00 H new ATOM 0 HE2 TYR A 22 0.745 2.853 3.744 1.00 2.00 H new ATOM 0 HH TYR A 22 -0.354 1.994 5.439 1.00 2.00 H new ATOM 341 N LYS A 23 -1.615 -0.938 -1.687 1.00 2.00 N ATOM 342 CA LYS A 23 -2.744 -1.883 -1.630 1.00 2.00 C ATOM 343 C LYS A 23 -2.165 -3.137 -0.892 1.00 2.00 C ATOM 344 O LYS A 23 -1.344 -3.895 -1.414 1.00 2.00 O ATOM 345 CB LYS A 23 -3.530 -2.082 -2.956 1.00 2.00 C ATOM 346 CG LYS A 23 -2.860 -2.807 -4.134 1.00 2.00 C ATOM 347 CD LYS A 23 -3.733 -2.906 -5.408 1.00 2.00 C ATOM 348 CE LYS A 23 -3.920 -1.603 -6.208 1.00 2.00 C ATOM 349 NZ LYS A 23 -2.668 -1.231 -6.903 1.00 2.00 N ATOM 0 H LYS A 23 -0.734 -1.393 -1.927 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.592 -1.496 -1.064 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -4.443 -2.626 -2.715 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -3.830 -1.095 -3.308 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -1.934 -2.289 -4.383 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -2.587 -3.814 -3.817 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -3.292 -3.653 -6.068 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -4.717 -3.276 -5.121 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -4.722 -1.729 -6.936 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -4.222 -0.799 -5.537 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -2.815 -0.350 -7.436 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -1.911 -1.090 -6.204 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -2.396 -1.991 -7.559 1.00 2.00 H new ATOM 362 N MET A 24 -2.505 -3.252 0.400 1.00 2.00 N ATOM 363 CA MET A 24 -2.076 -4.348 1.301 1.00 2.00 C ATOM 364 C MET A 24 -2.634 -5.753 0.906 1.00 2.00 C ATOM 365 O MET A 24 -3.752 -6.115 1.276 1.00 2.00 O ATOM 366 CB MET A 24 -2.445 -3.843 2.741 1.00 2.00 C ATOM 367 CG MET A 24 -2.724 -4.858 3.874 1.00 2.00 C ATOM 368 SD MET A 24 -2.310 -4.139 5.473 1.00 2.00 S ATOM 369 CE MET A 24 -2.671 -5.546 6.534 1.00 2.00 C ATOM 0 H MET A 24 -3.103 -2.569 0.866 1.00 2.00 H new ATOM 0 HA MET A 24 -1.006 -4.544 1.232 1.00 2.00 H new ATOM 0 HB2 MET A 24 -1.631 -3.200 3.076 1.00 2.00 H new ATOM 0 HB3 MET A 24 -3.330 -3.214 2.646 1.00 2.00 H new ATOM 0 HG2 MET A 24 -3.774 -5.150 3.860 1.00 2.00 H new ATOM 0 HG3 MET A 24 -2.139 -5.764 3.712 1.00 2.00 H new ATOM 0 HE1 MET A 24 -2.470 -5.280 7.572 1.00 2.00 H new ATOM 0 HE2 MET A 24 -3.720 -5.823 6.427 1.00 2.00 H new ATOM 0 HE3 MET A 24 -2.042 -6.389 6.247 1.00 2.00 H new ATOM 379 N PHE A 25 -1.877 -6.528 0.111 1.00 2.00 N ATOM 380 CA PHE A 25 -2.301 -7.885 -0.319 1.00 2.00 C ATOM 381 C PHE A 25 -1.930 -8.798 0.900 1.00 2.00 C ATOM 382 O PHE A 25 -0.750 -9.052 1.159 1.00 2.00 O ATOM 383 CB PHE A 25 -1.590 -8.349 -1.630 1.00 2.00 C ATOM 384 CG PHE A 25 -2.045 -7.914 -3.034 1.00 2.00 C ATOM 385 CD1 PHE A 25 -2.829 -6.787 -3.290 1.00 2.00 C ATOM 386 CD2 PHE A 25 -1.661 -8.732 -4.107 1.00 2.00 C ATOM 387 CE1 PHE A 25 -3.259 -6.513 -4.589 1.00 2.00 C ATOM 388 CE2 PHE A 25 -2.104 -8.465 -5.398 1.00 2.00 C ATOM 389 CZ PHE A 25 -2.902 -7.353 -5.638 1.00 2.00 C ATOM 0 H PHE A 25 -0.967 -6.244 -0.251 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.362 -7.922 -0.566 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.546 -8.049 -1.537 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -1.611 -9.439 -1.623 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -3.103 -6.126 -2.481 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -1.014 -9.578 -3.929 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -3.872 -5.645 -4.780 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -1.829 -9.120 -6.211 1.00 2.00 H new ATOM 0 HZ PHE A 25 -3.245 -7.141 -6.640 1.00 2.00 H new ATOM 399 N MET A 26 -2.916 -9.219 1.706 1.00 2.00 N ATOM 400 CA MET A 26 -2.674 -10.088 2.897 1.00 2.00 C ATOM 401 C MET A 26 -1.951 -11.423 2.520 1.00 2.00 C ATOM 402 O MET A 26 -2.411 -12.106 1.608 1.00 2.00 O ATOM 403 CB MET A 26 -4.059 -10.313 3.565 1.00 2.00 C ATOM 404 CG MET A 26 -4.040 -10.678 5.065 1.00 2.00 C ATOM 405 SD MET A 26 -3.236 -12.257 5.363 1.00 2.00 S ATOM 406 CE MET A 26 -3.419 -12.344 7.146 1.00 2.00 C ATOM 0 H MET A 26 -3.897 -8.977 1.565 1.00 2.00 H new ATOM 0 HA MET A 26 -1.992 -9.607 3.599 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.651 -9.406 3.440 1.00 2.00 H new ATOM 0 HB3 MET A 26 -4.575 -11.107 3.025 1.00 2.00 H new ATOM 0 HG2 MET A 26 -3.522 -9.897 5.622 1.00 2.00 H new ATOM 0 HG3 MET A 26 -5.062 -10.715 5.442 1.00 2.00 H new ATOM 0 HE1 MET A 26 -2.973 -13.268 7.513 1.00 2.00 H new ATOM 0 HE2 MET A 26 -2.918 -11.492 7.605 1.00 2.00 H new ATOM 0 HE3 MET A 26 -4.478 -12.324 7.404 1.00 2.00 H new ATOM 416 N MET A 27 -0.829 -11.809 3.162 1.00 2.00 N ATOM 417 CA MET A 27 -0.105 -13.089 2.824 1.00 2.00 C ATOM 418 C MET A 27 -0.985 -14.393 2.725 1.00 2.00 C ATOM 419 O MET A 27 -0.671 -15.297 1.949 1.00 2.00 O ATOM 420 CB MET A 27 1.138 -13.242 3.732 1.00 2.00 C ATOM 421 CG MET A 27 2.435 -12.613 3.176 1.00 2.00 C ATOM 422 SD MET A 27 3.564 -13.869 2.533 1.00 2.00 S ATOM 423 CE MET A 27 2.866 -14.174 0.904 1.00 2.00 C ATOM 0 H MET A 27 -0.395 -11.271 3.912 1.00 2.00 H new ATOM 0 HA MET A 27 0.219 -12.981 1.789 1.00 2.00 H new ATOM 0 HB2 MET A 27 0.920 -12.791 4.700 1.00 2.00 H new ATOM 0 HB3 MET A 27 1.313 -14.304 3.907 1.00 2.00 H new ATOM 0 HG2 MET A 27 2.187 -11.907 2.384 1.00 2.00 H new ATOM 0 HG3 MET A 27 2.931 -12.046 3.964 1.00 2.00 H new ATOM 0 HE1 MET A 27 3.460 -14.929 0.389 1.00 2.00 H new ATOM 0 HE2 MET A 27 1.840 -14.528 1.008 1.00 2.00 H new ATOM 0 HE3 MET A 27 2.874 -13.250 0.326 1.00 2.00 H new ATOM 433 N SER A 28 -2.058 -14.497 3.527 1.00 2.00 N ATOM 434 CA SER A 28 -2.981 -15.667 3.520 1.00 2.00 C ATOM 435 C SER A 28 -3.947 -15.665 2.254 1.00 2.00 C ATOM 436 O SER A 28 -4.407 -16.723 1.822 1.00 2.00 O ATOM 437 CB SER A 28 -3.769 -15.709 4.850 1.00 2.00 C ATOM 438 OG SER A 28 -2.909 -15.801 5.990 1.00 2.00 O ATOM 0 H SER A 28 -2.318 -13.778 4.202 1.00 2.00 H new ATOM 0 HA SER A 28 -2.386 -16.576 3.436 1.00 2.00 H new ATOM 0 HB2 SER A 28 -4.384 -14.813 4.933 1.00 2.00 H new ATOM 0 HB3 SER A 28 -4.448 -16.562 4.840 1.00 2.00 H new ATOM 0 HG SER A 28 -3.450 -15.823 6.807 1.00 2.00 H new ATOM 444 N ASP A 29 -4.317 -14.478 1.724 1.00 2.00 N ATOM 445 CA ASP A 29 -5.202 -14.283 0.546 1.00 2.00 C ATOM 446 C ASP A 29 -4.733 -12.929 -0.098 1.00 2.00 C ATOM 447 O ASP A 29 -5.230 -11.848 0.230 1.00 2.00 O ATOM 448 CB ASP A 29 -6.696 -14.316 0.963 1.00 2.00 C ATOM 449 CG ASP A 29 -7.696 -14.328 -0.195 1.00 2.00 C ATOM 450 OD1 ASP A 29 -7.443 -13.992 -1.350 1.00 2.00 O ATOM 451 OD2 ASP A 29 -8.919 -14.766 0.201 1.00 2.00 O ATOM 0 H ASP A 29 -3.997 -13.593 2.118 1.00 2.00 H new ATOM 0 HA ASP A 29 -5.124 -15.084 -0.189 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -6.866 -15.200 1.577 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -6.901 -13.448 1.590 1.00 2.00 H new ATOM 457 N LEU A 30 -3.806 -13.014 -1.061 1.00 2.00 N ATOM 458 CA LEU A 30 -3.237 -11.839 -1.775 1.00 2.00 C ATOM 459 C LEU A 30 -4.180 -10.980 -2.692 1.00 2.00 C ATOM 460 O LEU A 30 -4.421 -9.811 -2.393 1.00 2.00 O ATOM 461 CB LEU A 30 -2.008 -12.387 -2.594 1.00 2.00 C ATOM 462 CG LEU A 30 -0.700 -12.884 -1.921 1.00 2.00 C ATOM 463 CD1 LEU A 30 -0.038 -11.799 -1.070 1.00 2.00 C ATOM 464 CD2 LEU A 30 -0.850 -14.180 -1.112 1.00 2.00 C ATOM 0 H LEU A 30 -3.419 -13.903 -1.377 1.00 2.00 H new ATOM 0 HA LEU A 30 -2.987 -11.109 -1.005 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -2.381 -13.216 -3.195 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -1.719 -11.596 -3.286 1.00 2.00 H new ATOM 0 HG LEU A 30 -0.046 -13.123 -2.759 1.00 2.00 H new ATOM 0 HD11 LEU A 30 0.873 -12.194 -0.620 1.00 2.00 H new ATOM 0 HD12 LEU A 30 0.210 -10.944 -1.699 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -0.724 -11.484 -0.284 1.00 2.00 H new ATOM 0 HD21 LEU A 30 0.112 -14.452 -0.678 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.578 -14.029 -0.315 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.191 -14.981 -1.768 1.00 2.00 H new ATOM 476 N THR A 31 -4.673 -11.556 -3.808 1.00 2.00 N ATOM 477 CA THR A 31 -5.583 -10.891 -4.807 1.00 2.00 C ATOM 478 C THR A 31 -6.643 -9.835 -4.337 1.00 2.00 C ATOM 479 O THR A 31 -6.782 -8.794 -4.985 1.00 2.00 O ATOM 480 CB THR A 31 -6.241 -11.975 -5.727 1.00 2.00 C ATOM 481 OG1 THR A 31 -7.045 -12.879 -4.975 1.00 2.00 O ATOM 482 CG2 THR A 31 -5.272 -12.829 -6.561 1.00 2.00 C ATOM 0 H THR A 31 -4.453 -12.520 -4.060 1.00 2.00 H new ATOM 0 HA THR A 31 -4.888 -10.241 -5.338 1.00 2.00 H new ATOM 0 HB THR A 31 -6.829 -11.372 -6.420 1.00 2.00 H new ATOM 0 HG1 THR A 31 -7.443 -13.542 -5.577 1.00 2.00 H new ATOM 0 HG21 THR A 31 -5.838 -13.544 -7.158 1.00 2.00 H new ATOM 0 HG22 THR A 31 -4.693 -12.183 -7.221 1.00 2.00 H new ATOM 0 HG23 THR A 31 -4.596 -13.367 -5.896 1.00 2.00 H new ATOM 490 N ILE A 32 -7.435 -10.133 -3.294 1.00 2.00 N ATOM 491 CA ILE A 32 -8.474 -9.206 -2.749 1.00 2.00 C ATOM 492 C ILE A 32 -7.674 -8.476 -1.590 1.00 2.00 C ATOM 493 O ILE A 32 -7.431 -9.118 -0.559 1.00 2.00 O ATOM 494 CB ILE A 32 -9.772 -9.967 -2.280 1.00 2.00 C ATOM 495 CG1 ILE A 32 -10.675 -10.537 -3.419 1.00 2.00 C ATOM 496 CG2 ILE A 32 -10.699 -9.063 -1.420 1.00 2.00 C ATOM 497 CD1 ILE A 32 -10.099 -11.703 -4.239 1.00 2.00 C ATOM 0 H ILE A 32 -7.383 -11.021 -2.795 1.00 2.00 H new ATOM 0 HA ILE A 32 -8.885 -8.504 -3.474 1.00 2.00 H new ATOM 0 HB ILE A 32 -9.354 -10.800 -1.715 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -11.615 -10.865 -2.976 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -10.912 -9.723 -4.105 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -11.581 -9.628 -1.119 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -10.161 -8.730 -0.532 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -11.006 -8.196 -2.005 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -10.821 -12.007 -4.996 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -9.176 -11.385 -4.724 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -9.890 -12.544 -3.578 1.00 2.00 H new ATOM 509 N PRO A 33 -7.252 -7.177 -1.668 1.00 2.00 N ATOM 510 CA PRO A 33 -6.497 -6.529 -0.565 1.00 2.00 C ATOM 511 C PRO A 33 -7.244 -6.237 0.774 1.00 2.00 C ATOM 512 O PRO A 33 -8.446 -5.968 0.795 1.00 2.00 O ATOM 513 CB PRO A 33 -6.035 -5.197 -1.213 1.00 2.00 C ATOM 514 CG PRO A 33 -6.313 -5.320 -2.710 1.00 2.00 C ATOM 515 CD PRO A 33 -7.471 -6.299 -2.828 1.00 2.00 C ATOM 0 HA PRO A 33 -5.721 -7.215 -0.225 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -6.575 -4.351 -0.787 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -4.975 -5.024 -1.029 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -6.571 -4.353 -3.142 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -5.435 -5.684 -3.244 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -8.437 -5.796 -2.782 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -7.444 -6.851 -3.768 1.00 2.00 H new ATOM 523 N VAL A 34 -6.503 -6.274 1.889 1.00 2.00 N ATOM 524 CA VAL A 34 -7.053 -6.006 3.262 1.00 2.00 C ATOM 525 C VAL A 34 -7.035 -4.460 3.604 1.00 2.00 C ATOM 526 O VAL A 34 -7.875 -3.982 4.372 1.00 2.00 O ATOM 527 CB VAL A 34 -6.438 -6.989 4.320 1.00 2.00 C ATOM 528 CG1 VAL A 34 -6.614 -6.576 5.800 1.00 2.00 C ATOM 529 CG2 VAL A 34 -7.070 -8.396 4.193 1.00 2.00 C ATOM 0 H VAL A 34 -5.506 -6.488 1.885 1.00 2.00 H new ATOM 0 HA VAL A 34 -8.116 -6.244 3.294 1.00 2.00 H new ATOM 0 HB VAL A 34 -5.374 -6.971 4.086 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -6.153 -7.325 6.444 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -6.138 -5.610 5.967 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -7.676 -6.502 6.033 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -6.629 -9.061 4.936 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -8.145 -8.328 4.359 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -6.881 -8.791 3.195 1.00 2.00 H new ATOM 539 N LYS A 35 -6.088 -3.680 3.057 1.00 2.00 N ATOM 540 CA LYS A 35 -5.968 -2.220 3.286 1.00 2.00 C ATOM 541 C LYS A 35 -5.470 -1.514 1.988 1.00 2.00 C ATOM 542 O LYS A 35 -5.028 -2.120 1.007 1.00 2.00 O ATOM 543 CB LYS A 35 -5.180 -1.884 4.597 1.00 2.00 C ATOM 544 CG LYS A 35 -6.027 -1.180 5.687 1.00 2.00 C ATOM 545 CD LYS A 35 -6.379 0.296 5.377 1.00 2.00 C ATOM 546 CE LYS A 35 -7.328 0.955 6.391 1.00 2.00 C ATOM 547 NZ LYS A 35 -8.723 0.512 6.176 1.00 2.00 N ATOM 0 H LYS A 35 -5.370 -4.047 2.432 1.00 2.00 H new ATOM 0 HA LYS A 35 -6.953 -1.798 3.485 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -4.773 -2.807 5.009 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -4.332 -1.247 4.344 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -6.952 -1.739 5.827 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -5.485 -1.220 6.632 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -5.456 0.874 5.334 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -6.834 0.347 4.388 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -7.015 0.704 7.404 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -7.269 2.039 6.299 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -9.344 0.971 6.873 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -9.026 0.774 5.216 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -8.781 -0.520 6.288 1.00 2.00 H new ATOM 560 N ARG A 36 -5.574 -0.188 1.970 1.00 2.00 N ATOM 561 CA ARG A 36 -5.154 0.652 0.820 1.00 2.00 C ATOM 562 C ARG A 36 -4.731 2.024 1.458 1.00 2.00 C ATOM 563 O ARG A 36 -5.584 2.759 1.964 1.00 2.00 O ATOM 564 CB ARG A 36 -6.314 0.620 -0.226 1.00 2.00 C ATOM 565 CG ARG A 36 -6.073 -0.161 -1.540 1.00 2.00 C ATOM 566 CD ARG A 36 -7.292 -0.673 -2.333 1.00 2.00 C ATOM 567 NE ARG A 36 -8.285 0.389 -2.660 1.00 2.00 N ATOM 568 CZ ARG A 36 -9.346 0.235 -3.444 1.00 2.00 C ATOM 569 NH1 ARG A 36 -9.535 -0.799 -4.211 1.00 2.00 N ATOM 570 NH2 ARG A 36 -10.251 1.157 -3.434 1.00 2.00 N ATOM 0 H ARG A 36 -5.952 0.350 2.750 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.293 0.325 0.238 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -7.193 0.197 0.260 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -6.559 1.649 -0.487 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -5.493 0.480 -2.204 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -5.448 -1.022 -1.303 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -6.945 -1.131 -3.259 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -7.786 -1.455 -1.757 1.00 2.00 H new ATOM 0 HE ARG A 36 -8.138 1.310 -2.248 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -8.846 -1.551 -4.233 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -10.372 -0.858 -4.791 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -10.139 1.975 -2.835 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -11.077 1.067 -4.025 1.00 2.00 H new ATOM 584 N GLY A 37 -3.425 2.361 1.488 1.00 2.00 N ATOM 585 CA GLY A 37 -2.943 3.648 2.085 1.00 2.00 C ATOM 586 C GLY A 37 -1.793 4.401 1.378 1.00 2.00 C ATOM 587 O GLY A 37 -1.757 4.461 0.150 1.00 2.00 O ATOM 0 H GLY A 37 -2.682 1.773 1.112 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -3.795 4.325 2.146 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -2.626 3.442 3.107 1.00 2.00 H new ATOM 591 N CYS A 38 -0.901 5.051 2.152 1.00 2.00 N ATOM 592 CA CYS A 38 0.257 5.817 1.601 1.00 2.00 C ATOM 593 C CYS A 38 1.621 5.472 2.286 1.00 2.00 C ATOM 594 O CYS A 38 1.742 5.455 3.513 1.00 2.00 O ATOM 595 CB CYS A 38 -0.030 7.325 1.630 1.00 2.00 C ATOM 596 SG CYS A 38 -0.073 8.013 3.289 1.00 2.00 S ATOM 0 H CYS A 38 -0.954 5.066 3.171 1.00 2.00 H new ATOM 0 HA CYS A 38 0.371 5.504 0.563 1.00 2.00 H new ATOM 0 HB2 CYS A 38 0.733 7.844 1.050 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -0.986 7.515 1.141 1.00 2.00 H new ATOM 601 N ILE A 39 2.657 5.223 1.471 1.00 2.00 N ATOM 602 CA ILE A 39 4.035 4.873 1.944 1.00 2.00 C ATOM 603 C ILE A 39 5.156 5.289 0.917 1.00 2.00 C ATOM 604 O ILE A 39 4.868 5.779 -0.163 1.00 2.00 O ATOM 605 CB ILE A 39 4.081 3.323 2.200 1.00 2.00 C ATOM 606 CG1 ILE A 39 5.254 2.881 3.123 1.00 2.00 C ATOM 607 CG2 ILE A 39 4.069 2.536 0.843 1.00 2.00 C ATOM 608 CD1 ILE A 39 5.252 3.443 4.555 1.00 2.00 C ATOM 0 H ILE A 39 2.577 5.255 0.455 1.00 2.00 H new ATOM 0 HA ILE A 39 4.239 5.429 2.859 1.00 2.00 H new ATOM 0 HB ILE A 39 3.175 3.069 2.750 1.00 2.00 H new ATOM 0 HG12 ILE A 39 5.248 1.793 3.184 1.00 2.00 H new ATOM 0 HG13 ILE A 39 6.191 3.169 2.645 1.00 2.00 H new ATOM 0 HG21 ILE A 39 4.101 1.465 1.043 1.00 2.00 H new ATOM 0 HG22 ILE A 39 3.159 2.775 0.292 1.00 2.00 H new ATOM 0 HG23 ILE A 39 4.938 2.821 0.250 1.00 2.00 H new ATOM 0 HD11 ILE A 39 6.118 3.062 5.097 1.00 2.00 H new ATOM 0 HD12 ILE A 39 5.297 4.531 4.519 1.00 2.00 H new ATOM 0 HD13 ILE A 39 4.340 3.134 5.066 1.00 2.00 H new ATOM 620 N ASP A 40 6.441 5.116 1.240 1.00 2.00 N ATOM 621 CA ASP A 40 7.593 5.458 0.347 1.00 2.00 C ATOM 622 C ASP A 40 8.324 4.198 -0.245 1.00 2.00 C ATOM 623 O ASP A 40 8.867 4.302 -1.345 1.00 2.00 O ATOM 624 CB ASP A 40 8.573 6.456 1.027 1.00 2.00 C ATOM 625 CG ASP A 40 9.183 6.076 2.376 1.00 2.00 C ATOM 626 OD1 ASP A 40 8.507 5.756 3.348 1.00 2.00 O ATOM 627 OD2 ASP A 40 10.543 6.172 2.382 1.00 2.00 O ATOM 0 H ASP A 40 6.733 4.730 2.138 1.00 2.00 H new ATOM 0 HA ASP A 40 7.165 5.968 -0.516 1.00 2.00 H new ATOM 0 HB2 ASP A 40 9.393 6.640 0.333 1.00 2.00 H new ATOM 0 HB3 ASP A 40 8.046 7.401 1.156 1.00 2.00 H new ATOM 633 N VAL A 41 8.335 3.034 0.443 1.00 2.00 N ATOM 634 CA VAL A 41 9.006 1.776 -0.041 1.00 2.00 C ATOM 635 C VAL A 41 8.166 0.482 0.272 1.00 2.00 C ATOM 636 O VAL A 41 8.756 -0.597 0.302 1.00 2.00 O ATOM 637 CB VAL A 41 10.486 1.720 0.564 1.00 2.00 C ATOM 638 CG1 VAL A 41 11.425 0.663 -0.081 1.00 2.00 C ATOM 639 CG2 VAL A 41 11.334 3.023 0.516 1.00 2.00 C ATOM 0 H VAL A 41 7.883 2.926 1.351 1.00 2.00 H new ATOM 0 HA VAL A 41 9.072 1.802 -1.129 1.00 2.00 H new ATOM 0 HB VAL A 41 10.207 1.480 1.590 1.00 2.00 H new ATOM 0 HG11 VAL A 41 12.403 0.705 0.398 1.00 2.00 H new ATOM 0 HG12 VAL A 41 10.998 -0.331 0.051 1.00 2.00 H new ATOM 0 HG13 VAL A 41 11.533 0.873 -1.145 1.00 2.00 H new ATOM 0 HG21 VAL A 41 12.312 2.837 0.960 1.00 2.00 H new ATOM 0 HG22 VAL A 41 11.460 3.337 -0.520 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.826 3.809 1.075 1.00 2.00 H new ATOM 649 N CYS A 42 6.795 0.493 0.392 1.00 2.00 N ATOM 650 CA CYS A 42 5.963 -0.742 0.711 1.00 2.00 C ATOM 651 C CYS A 42 6.289 -0.797 2.292 1.00 2.00 C ATOM 652 O CYS A 42 7.463 -0.969 2.638 1.00 2.00 O ATOM 653 CB CYS A 42 6.215 -1.864 -0.331 1.00 2.00 C ATOM 654 SG CYS A 42 6.481 -1.137 -1.986 1.00 2.00 S ATOM 0 H CYS A 42 6.236 1.338 0.274 1.00 2.00 H new ATOM 0 HA CYS A 42 4.881 -0.806 0.595 1.00 2.00 H new ATOM 0 HB2 CYS A 42 7.085 -2.452 -0.040 1.00 2.00 H new ATOM 0 HB3 CYS A 42 5.364 -2.545 -0.357 1.00 2.00 H new ATOM 659 N PRO A 43 5.398 -0.638 3.322 1.00 2.00 N ATOM 660 CA PRO A 43 5.794 -0.672 4.765 1.00 2.00 C ATOM 661 C PRO A 43 6.962 -1.464 5.413 1.00 2.00 C ATOM 662 O PRO A 43 7.848 -0.898 6.053 1.00 2.00 O ATOM 663 CB PRO A 43 4.452 -0.758 5.514 1.00 2.00 C ATOM 664 CG PRO A 43 3.456 -0.074 4.583 1.00 2.00 C ATOM 665 CD PRO A 43 3.944 -0.424 3.177 1.00 2.00 C ATOM 0 HA PRO A 43 6.421 0.214 4.863 1.00 2.00 H new ATOM 0 HB2 PRO A 43 4.170 -1.793 5.707 1.00 2.00 H new ATOM 0 HB3 PRO A 43 4.503 -0.256 6.480 1.00 2.00 H new ATOM 0 HG2 PRO A 43 2.442 -0.435 4.752 1.00 2.00 H new ATOM 0 HG3 PRO A 43 3.441 1.004 4.741 1.00 2.00 H new ATOM 0 HD2 PRO A 43 3.449 -1.318 2.798 1.00 2.00 H new ATOM 0 HD3 PRO A 43 3.731 0.381 2.473 1.00 2.00 H new ATOM 673 N LYS A 44 6.876 -2.765 5.253 1.00 2.00 N ATOM 674 CA LYS A 44 7.825 -3.789 5.751 1.00 2.00 C ATOM 675 C LYS A 44 6.886 -5.033 5.670 1.00 2.00 C ATOM 676 O LYS A 44 6.098 -5.317 6.582 1.00 2.00 O ATOM 677 CB LYS A 44 8.470 -3.620 7.166 1.00 2.00 C ATOM 678 CG LYS A 44 9.945 -3.139 7.156 1.00 2.00 C ATOM 679 CD LYS A 44 10.705 -3.383 8.486 1.00 2.00 C ATOM 680 CE LYS A 44 10.154 -2.692 9.746 1.00 2.00 C ATOM 681 NZ LYS A 44 10.351 -1.232 9.681 1.00 2.00 N ATOM 0 H LYS A 44 6.099 -3.184 4.742 1.00 2.00 H new ATOM 0 HA LYS A 44 8.750 -3.791 5.175 1.00 2.00 H new ATOM 0 HB2 LYS A 44 7.875 -2.909 7.738 1.00 2.00 H new ATOM 0 HB3 LYS A 44 8.417 -4.574 7.690 1.00 2.00 H new ATOM 0 HG2 LYS A 44 10.475 -3.646 6.350 1.00 2.00 H new ATOM 0 HG3 LYS A 44 9.966 -2.073 6.930 1.00 2.00 H new ATOM 0 HD2 LYS A 44 10.726 -4.457 8.671 1.00 2.00 H new ATOM 0 HD3 LYS A 44 11.738 -3.063 8.349 1.00 2.00 H new ATOM 0 HE2 LYS A 44 9.092 -2.914 9.851 1.00 2.00 H new ATOM 0 HE3 LYS A 44 10.652 -3.090 10.630 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 9.970 -0.792 10.543 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 11.367 -1.022 9.604 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 9.855 -0.851 8.850 1.00 2.00 H new ATOM 694 N ASN A 45 6.907 -5.733 4.527 1.00 2.00 N ATOM 695 CA ASN A 45 6.066 -6.932 4.304 1.00 2.00 C ATOM 696 C ASN A 45 6.418 -8.162 5.217 1.00 2.00 C ATOM 697 O ASN A 45 7.511 -8.727 5.125 1.00 2.00 O ATOM 698 CB ASN A 45 6.120 -7.225 2.776 1.00 2.00 C ATOM 699 CG ASN A 45 7.427 -7.701 2.136 1.00 2.00 C ATOM 700 OD1 ASN A 45 8.292 -6.912 1.780 1.00 2.00 O ATOM 701 ND2 ASN A 45 7.589 -8.985 1.936 1.00 2.00 N ATOM 0 H ASN A 45 7.500 -5.492 3.733 1.00 2.00 H new ATOM 0 HA ASN A 45 5.041 -6.732 4.614 1.00 2.00 H new ATOM 0 HB2 ASN A 45 5.361 -7.978 2.563 1.00 2.00 H new ATOM 0 HB3 ASN A 45 5.819 -6.313 2.260 1.00 2.00 H new ATOM 0 HD21 ASN A 45 8.436 -9.328 1.483 1.00 2.00 H new ATOM 0 HD22 ASN A 45 6.868 -9.642 2.233 1.00 2.00 H new ATOM 708 N SER A 46 5.497 -8.540 6.117 1.00 2.00 N ATOM 709 CA SER A 46 5.694 -9.688 7.050 1.00 2.00 C ATOM 710 C SER A 46 4.741 -10.898 6.783 1.00 2.00 C ATOM 711 O SER A 46 4.051 -10.933 5.763 1.00 2.00 O ATOM 712 CB SER A 46 5.686 -9.084 8.484 1.00 2.00 C ATOM 713 OG SER A 46 6.134 -10.041 9.449 1.00 2.00 O ATOM 0 H SER A 46 4.598 -8.071 6.228 1.00 2.00 H new ATOM 0 HA SER A 46 6.653 -10.180 6.889 1.00 2.00 H new ATOM 0 HB2 SER A 46 6.328 -8.204 8.515 1.00 2.00 H new ATOM 0 HB3 SER A 46 4.679 -8.752 8.737 1.00 2.00 H new ATOM 0 HG SER A 46 6.121 -9.636 10.341 1.00 2.00 H new ATOM 719 N LEU A 47 4.676 -11.910 7.675 1.00 2.00 N ATOM 720 CA LEU A 47 3.784 -13.115 7.505 1.00 2.00 C ATOM 721 C LEU A 47 2.244 -12.841 7.278 1.00 2.00 C ATOM 722 O LEU A 47 1.492 -13.735 6.891 1.00 2.00 O ATOM 723 CB LEU A 47 3.999 -14.080 8.712 1.00 2.00 C ATOM 724 CG LEU A 47 5.321 -14.897 8.776 1.00 2.00 C ATOM 725 CD1 LEU A 47 6.515 -14.093 9.322 1.00 2.00 C ATOM 726 CD2 LEU A 47 5.139 -16.140 9.668 1.00 2.00 C ATOM 0 H LEU A 47 5.229 -11.931 8.532 1.00 2.00 H new ATOM 0 HA LEU A 47 4.096 -13.564 6.562 1.00 2.00 H new ATOM 0 HB2 LEU A 47 3.928 -13.490 9.626 1.00 2.00 H new ATOM 0 HB3 LEU A 47 3.170 -14.788 8.724 1.00 2.00 H new ATOM 0 HG LEU A 47 5.543 -15.175 7.746 1.00 2.00 H new ATOM 0 HD11 LEU A 47 7.403 -14.726 9.338 1.00 2.00 H new ATOM 0 HD12 LEU A 47 6.696 -13.230 8.681 1.00 2.00 H new ATOM 0 HD13 LEU A 47 6.293 -13.753 10.334 1.00 2.00 H new ATOM 0 HD21 LEU A 47 6.072 -16.702 9.703 1.00 2.00 H new ATOM 0 HD22 LEU A 47 4.865 -15.828 10.676 1.00 2.00 H new ATOM 0 HD23 LEU A 47 4.351 -16.771 9.257 1.00 2.00 H new ATOM 738 N LEU A 48 1.794 -11.619 7.583 1.00 2.00 N ATOM 739 CA LEU A 48 0.396 -11.154 7.435 1.00 2.00 C ATOM 740 C LEU A 48 0.205 -10.215 6.181 1.00 2.00 C ATOM 741 O LEU A 48 -0.941 -9.847 5.916 1.00 2.00 O ATOM 742 CB LEU A 48 0.026 -10.403 8.752 1.00 2.00 C ATOM 743 CG LEU A 48 0.032 -11.202 10.085 1.00 2.00 C ATOM 744 CD1 LEU A 48 -0.076 -10.243 11.282 1.00 2.00 C ATOM 745 CD2 LEU A 48 -1.111 -12.225 10.157 1.00 2.00 C ATOM 0 H LEU A 48 2.409 -10.895 7.954 1.00 2.00 H new ATOM 0 HA LEU A 48 -0.261 -12.008 7.268 1.00 2.00 H new ATOM 0 HB2 LEU A 48 0.717 -9.567 8.863 1.00 2.00 H new ATOM 0 HB3 LEU A 48 -0.970 -9.979 8.624 1.00 2.00 H new ATOM 0 HG LEU A 48 0.976 -11.746 10.122 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -0.071 -10.816 12.209 1.00 2.00 H new ATOM 0 HD12 LEU A 48 0.770 -9.556 11.275 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -1.004 -9.676 11.211 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -1.063 -12.757 11.107 1.00 2.00 H new ATOM 0 HD22 LEU A 48 -2.067 -11.708 10.078 1.00 2.00 H new ATOM 0 HD23 LEU A 48 -1.015 -12.937 9.337 1.00 2.00 H new ATOM 757 N VAL A 49 1.247 -9.832 5.387 1.00 2.00 N ATOM 758 CA VAL A 49 1.102 -8.935 4.193 1.00 2.00 C ATOM 759 C VAL A 49 2.315 -8.828 3.193 1.00 2.00 C ATOM 760 O VAL A 49 3.487 -8.903 3.551 1.00 2.00 O ATOM 761 CB VAL A 49 0.710 -7.490 4.730 1.00 2.00 C ATOM 762 CG1 VAL A 49 1.707 -6.846 5.724 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.396 -6.448 3.640 1.00 2.00 C ATOM 0 H VAL A 49 2.208 -10.133 5.553 1.00 2.00 H new ATOM 0 HA VAL A 49 0.335 -9.403 3.576 1.00 2.00 H new ATOM 0 HB VAL A 49 -0.206 -7.735 5.268 1.00 2.00 H new ATOM 0 HG11 VAL A 49 1.339 -5.865 6.023 1.00 2.00 H new ATOM 0 HG12 VAL A 49 1.804 -7.481 6.604 1.00 2.00 H new ATOM 0 HG13 VAL A 49 2.680 -6.738 5.245 1.00 2.00 H new ATOM 0 HG21 VAL A 49 0.141 -5.497 4.108 1.00 2.00 H new ATOM 0 HG22 VAL A 49 1.269 -6.315 3.001 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.444 -6.793 3.038 1.00 2.00 H new ATOM 773 N LYS A 50 1.951 -8.562 1.931 1.00 2.00 N ATOM 774 CA LYS A 50 2.821 -8.382 0.739 1.00 2.00 C ATOM 775 C LYS A 50 2.142 -7.090 0.157 1.00 2.00 C ATOM 776 O LYS A 50 1.017 -7.130 -0.338 1.00 2.00 O ATOM 777 CB LYS A 50 2.787 -9.613 -0.187 1.00 2.00 C ATOM 778 CG LYS A 50 3.587 -9.433 -1.499 1.00 2.00 C ATOM 779 CD LYS A 50 3.495 -10.665 -2.422 1.00 2.00 C ATOM 780 CE LYS A 50 4.097 -10.449 -3.822 1.00 2.00 C ATOM 781 NZ LYS A 50 5.576 -10.434 -3.786 1.00 2.00 N ATOM 0 H LYS A 50 0.966 -8.457 1.688 1.00 2.00 H new ATOM 0 HA LYS A 50 3.892 -8.281 0.914 1.00 2.00 H new ATOM 0 HB2 LYS A 50 3.183 -10.473 0.353 1.00 2.00 H new ATOM 0 HB3 LYS A 50 1.750 -9.841 -0.434 1.00 2.00 H new ATOM 0 HG2 LYS A 50 3.215 -8.557 -2.030 1.00 2.00 H new ATOM 0 HG3 LYS A 50 4.633 -9.240 -1.259 1.00 2.00 H new ATOM 0 HD2 LYS A 50 4.005 -11.502 -1.945 1.00 2.00 H new ATOM 0 HD3 LYS A 50 2.448 -10.948 -2.528 1.00 2.00 H new ATOM 0 HE2 LYS A 50 3.757 -11.240 -4.490 1.00 2.00 H new ATOM 0 HE3 LYS A 50 3.734 -9.507 -4.233 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 5.945 -10.286 -4.747 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 5.900 -9.663 -3.168 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 5.924 -11.342 -3.417 1.00 2.00 H new ATOM 794 N TYR A 51 2.784 -5.924 0.172 1.00 2.00 N ATOM 795 CA TYR A 51 2.158 -4.673 -0.362 1.00 2.00 C ATOM 796 C TYR A 51 2.410 -4.290 -1.856 1.00 2.00 C ATOM 797 O TYR A 51 3.551 -4.068 -2.271 1.00 2.00 O ATOM 798 CB TYR A 51 2.677 -3.530 0.559 1.00 2.00 C ATOM 799 CG TYR A 51 2.384 -3.587 2.071 1.00 2.00 C ATOM 800 CD1 TYR A 51 1.222 -3.011 2.584 1.00 2.00 C ATOM 801 CD2 TYR A 51 3.349 -4.087 2.956 1.00 2.00 C ATOM 802 CE1 TYR A 51 1.037 -2.906 3.962 1.00 2.00 C ATOM 803 CE2 TYR A 51 3.157 -3.992 4.332 1.00 2.00 C ATOM 804 CZ TYR A 51 2.004 -3.395 4.832 1.00 2.00 C ATOM 805 OH TYR A 51 1.827 -3.256 6.180 1.00 2.00 O ATOM 0 H TYR A 51 3.727 -5.799 0.539 1.00 2.00 H new ATOM 0 HA TYR A 51 1.081 -4.843 -0.353 1.00 2.00 H new ATOM 0 HB2 TYR A 51 3.759 -3.477 0.437 1.00 2.00 H new ATOM 0 HB3 TYR A 51 2.267 -2.593 0.181 1.00 2.00 H new ATOM 0 HD1 TYR A 51 0.462 -2.644 1.910 1.00 2.00 H new ATOM 0 HD2 TYR A 51 4.246 -4.548 2.569 1.00 2.00 H new ATOM 0 HE1 TYR A 51 0.142 -2.445 4.353 1.00 2.00 H new ATOM 0 HE2 TYR A 51 3.902 -4.381 5.010 1.00 2.00 H new ATOM 0 HH TYR A 51 2.590 -3.650 6.652 1.00 2.00 H new ATOM 815 N VAL A 52 1.331 -4.142 -2.646 1.00 2.00 N ATOM 816 CA VAL A 52 1.414 -3.766 -4.099 1.00 2.00 C ATOM 817 C VAL A 52 1.290 -2.200 -4.066 1.00 2.00 C ATOM 818 O VAL A 52 0.242 -1.605 -3.810 1.00 2.00 O ATOM 819 CB VAL A 52 0.386 -4.565 -4.962 1.00 2.00 C ATOM 820 CG1 VAL A 52 0.262 -4.061 -6.418 1.00 2.00 C ATOM 821 CG2 VAL A 52 0.749 -6.066 -5.033 1.00 2.00 C ATOM 0 H VAL A 52 0.376 -4.275 -2.313 1.00 2.00 H new ATOM 0 HA VAL A 52 2.339 -4.040 -4.607 1.00 2.00 H new ATOM 0 HB VAL A 52 -0.565 -4.409 -4.453 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -0.471 -4.667 -6.952 1.00 2.00 H new ATOM 0 HG12 VAL A 52 -0.060 -3.020 -6.416 1.00 2.00 H new ATOM 0 HG13 VAL A 52 1.229 -4.141 -6.914 1.00 2.00 H new ATOM 0 HG21 VAL A 52 0.012 -6.590 -5.641 1.00 2.00 H new ATOM 0 HG22 VAL A 52 1.736 -6.181 -5.480 1.00 2.00 H new ATOM 0 HG23 VAL A 52 0.755 -6.487 -4.028 1.00 2.00 H new ATOM 831 N CYS A 53 2.414 -1.532 -4.300 1.00 2.00 N ATOM 832 CA CYS A 53 2.547 -0.059 -4.307 1.00 2.00 C ATOM 833 C CYS A 53 2.756 0.682 -5.681 1.00 2.00 C ATOM 834 O CYS A 53 3.529 0.239 -6.530 1.00 2.00 O ATOM 835 CB CYS A 53 3.753 0.077 -3.313 1.00 2.00 C ATOM 836 SG CYS A 53 4.937 -1.338 -3.267 1.00 2.00 S ATOM 0 H CYS A 53 3.295 -2.007 -4.498 1.00 2.00 H new ATOM 0 HA CYS A 53 1.618 0.443 -4.039 1.00 2.00 H new ATOM 0 HB2 CYS A 53 4.308 0.979 -3.570 1.00 2.00 H new ATOM 0 HB3 CYS A 53 3.354 0.223 -2.309 1.00 2.00 H new ATOM 841 N CYS A 54 2.087 1.845 -5.865 1.00 2.00 N ATOM 842 CA CYS A 54 2.176 2.675 -7.107 1.00 2.00 C ATOM 843 C CYS A 54 2.532 4.169 -6.758 1.00 2.00 C ATOM 844 O CYS A 54 1.772 4.860 -6.077 1.00 2.00 O ATOM 845 CB CYS A 54 0.855 2.482 -7.882 1.00 2.00 C ATOM 846 SG CYS A 54 -0.573 3.078 -6.952 1.00 2.00 S ATOM 0 H CYS A 54 1.467 2.242 -5.159 1.00 2.00 H new ATOM 0 HA CYS A 54 2.991 2.357 -7.757 1.00 2.00 H new ATOM 0 HB2 CYS A 54 0.913 3.010 -8.834 1.00 2.00 H new ATOM 0 HB3 CYS A 54 0.722 1.425 -8.112 1.00 2.00 H new ATOM 851 N ASN A 55 3.673 4.679 -7.250 1.00 2.00 N ATOM 852 CA ASN A 55 4.192 6.077 -7.024 1.00 2.00 C ATOM 853 C ASN A 55 3.406 7.405 -7.377 1.00 2.00 C ATOM 854 O ASN A 55 4.034 8.389 -7.785 1.00 2.00 O ATOM 855 CB ASN A 55 5.628 6.059 -7.650 1.00 2.00 C ATOM 856 CG ASN A 55 5.736 5.927 -9.175 1.00 2.00 C ATOM 857 OD1 ASN A 55 5.694 4.838 -9.732 1.00 2.00 O ATOM 858 ND2 ASN A 55 5.866 7.008 -9.896 1.00 2.00 N ATOM 0 H ASN A 55 4.296 4.126 -7.839 1.00 2.00 H new ATOM 0 HA ASN A 55 4.086 6.216 -5.948 1.00 2.00 H new ATOM 0 HB2 ASN A 55 6.135 6.978 -7.356 1.00 2.00 H new ATOM 0 HB3 ASN A 55 6.180 5.233 -7.201 1.00 2.00 H new ATOM 0 HD21 ASN A 55 5.931 6.939 -10.912 1.00 2.00 H new ATOM 0 HD22 ASN A 55 5.902 7.921 -9.444 1.00 2.00 H new ATOM 865 N THR A 56 2.077 7.499 -7.201 1.00 2.00 N ATOM 866 CA THR A 56 1.299 8.744 -7.524 1.00 2.00 C ATOM 867 C THR A 56 -0.086 8.851 -6.779 1.00 2.00 C ATOM 868 O THR A 56 -0.520 7.958 -6.044 1.00 2.00 O ATOM 869 CB THR A 56 1.210 8.939 -9.086 1.00 2.00 C ATOM 870 OG1 THR A 56 0.795 10.263 -9.400 1.00 2.00 O ATOM 871 CG2 THR A 56 0.264 8.002 -9.853 1.00 2.00 C ATOM 0 H THR A 56 1.504 6.737 -6.838 1.00 2.00 H new ATOM 0 HA THR A 56 1.854 9.591 -7.121 1.00 2.00 H new ATOM 0 HB THR A 56 2.224 8.704 -9.409 1.00 2.00 H new ATOM 0 HG1 THR A 56 0.746 10.368 -10.373 1.00 2.00 H new ATOM 0 HG21 THR A 56 0.297 8.242 -10.916 1.00 2.00 H new ATOM 0 HG22 THR A 56 0.576 6.968 -9.704 1.00 2.00 H new ATOM 0 HG23 THR A 56 -0.753 8.130 -9.484 1.00 2.00 H new ATOM 879 N ASP A 57 -0.775 9.997 -6.936 1.00 2.00 N ATOM 880 CA ASP A 57 -2.100 10.269 -6.307 1.00 2.00 C ATOM 881 C ASP A 57 -3.279 9.378 -6.841 1.00 2.00 C ATOM 882 O ASP A 57 -3.491 9.241 -8.047 1.00 2.00 O ATOM 883 CB ASP A 57 -2.456 11.763 -6.550 1.00 2.00 C ATOM 884 CG ASP A 57 -1.717 12.811 -5.724 1.00 2.00 C ATOM 885 OD1 ASP A 57 -1.316 12.639 -4.577 1.00 2.00 O ATOM 886 OD2 ASP A 57 -1.627 13.996 -6.382 1.00 2.00 O ATOM 0 H ASP A 57 -0.433 10.771 -7.505 1.00 2.00 H new ATOM 0 HA ASP A 57 -1.995 10.025 -5.250 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -2.282 11.982 -7.603 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -3.524 11.887 -6.371 1.00 2.00 H new ATOM 892 N ARG A 58 -4.032 8.761 -5.916 1.00 2.00 N ATOM 893 CA ARG A 58 -5.202 7.870 -6.207 1.00 2.00 C ATOM 894 C ARG A 58 -5.012 6.676 -7.219 1.00 2.00 C ATOM 895 O ARG A 58 -5.987 6.183 -7.792 1.00 2.00 O ATOM 896 CB ARG A 58 -6.493 8.745 -6.408 1.00 2.00 C ATOM 897 CG ARG A 58 -7.030 9.435 -5.117 1.00 2.00 C ATOM 898 CD ARG A 58 -8.237 10.398 -5.258 1.00 2.00 C ATOM 899 NE ARG A 58 -9.591 9.769 -5.112 1.00 2.00 N ATOM 900 CZ ARG A 58 -10.202 9.465 -3.962 1.00 2.00 C ATOM 901 NH1 ARG A 58 -9.626 9.508 -2.806 1.00 2.00 N ATOM 902 NH2 ARG A 58 -11.432 9.063 -3.985 1.00 2.00 N ATOM 0 H ARG A 58 -3.852 8.861 -4.917 1.00 2.00 H new ATOM 0 HA ARG A 58 -5.326 7.259 -5.313 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -6.280 9.514 -7.151 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.281 8.114 -6.819 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -7.307 8.653 -4.410 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -6.208 9.993 -4.669 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -8.140 11.185 -4.510 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -8.183 10.878 -6.235 1.00 2.00 H new ATOM 0 HE ARG A 58 -10.094 9.552 -5.973 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -8.647 9.787 -2.734 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -10.150 9.263 -1.966 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -11.925 8.981 -4.874 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -11.908 8.828 -3.114 1.00 2.00 H new ATOM 916 N CYS A 59 -3.779 6.170 -7.404 1.00 2.00 N ATOM 917 CA CYS A 59 -3.502 5.035 -8.334 1.00 2.00 C ATOM 918 C CYS A 59 -3.903 3.617 -7.768 1.00 2.00 C ATOM 919 O CYS A 59 -4.109 2.664 -8.524 1.00 2.00 O ATOM 920 CB CYS A 59 -2.031 5.153 -8.769 1.00 2.00 C ATOM 921 SG CYS A 59 -0.894 5.008 -7.377 1.00 2.00 S ATOM 0 H CYS A 59 -2.950 6.523 -6.925 1.00 2.00 H new ATOM 0 HA CYS A 59 -4.148 5.112 -9.208 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -1.807 4.377 -9.501 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -1.876 6.112 -9.264 1.00 2.00 H new ATOM 926 N ASN A 60 -4.055 3.467 -6.438 1.00 2.00 N ATOM 927 CA ASN A 60 -4.430 2.201 -5.766 1.00 2.00 C ATOM 928 C ASN A 60 -5.940 1.831 -5.930 1.00 2.00 C ATOM 929 O ASN A 60 -6.738 1.738 -4.998 1.00 2.00 O ATOM 930 CB ASN A 60 -3.919 2.254 -4.300 1.00 2.00 C ATOM 931 CG ASN A 60 -4.445 3.344 -3.352 1.00 2.00 C ATOM 932 OD1 ASN A 60 -4.936 4.398 -3.741 1.00 2.00 O ATOM 933 ND2 ASN A 60 -4.292 3.166 -2.071 1.00 2.00 N ATOM 934 OXT ASN A 60 -6.281 1.601 -7.237 1.00 0.00 O ATOM 0 H ASN A 60 -3.918 4.238 -5.784 1.00 2.00 H new ATOM 0 HA ASN A 60 -3.937 1.364 -6.261 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.140 1.290 -3.843 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -2.834 2.349 -4.336 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.578 3.895 -1.417 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.886 2.298 -1.722 1.00 2.00 H new TER 942 ASN A 60