USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.29) USER MOD Single : A 5 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.081) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= -1.33 USER MOD Single : A 9 SER OG : rot 22:sc= 0.755 USER MOD Single : A 10 GLN : amide:sc= -0.406 K(o=-0.41,f=-3.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 105:sc= 0.837 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -86:sc= -0.524 USER MOD Single : A 18 SER OG : rot 58:sc= 0.178 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.33 K(o=-1.3,f=-5.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= -6.36! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00063) USER MOD Single : A 32 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-5.7!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -10:sc= -0.353! USER MOD Single : A 45 SER OG : rot 180:sc= -0.027 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 53 ASN : amide:sc= -0.536 K(o=-0.54,f=-1.4) USER MOD Single : A 56 THR OG1 : rot 62:sc= 0.15 USER MOD Single : A 57 THR OG1 : rot -80:sc= -0.347 USER MOD Single : A 61 ASN : amide:sc= -1.9 K(o=-1.9,f=-2.9!) USER MOD Single : A 62 ASN : amide:sc= -2.01! K(o=-2!,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -13.062 5.919 -7.788 1.00 0.00 N ATOM 2 CA LEU A 1 -11.634 5.873 -7.367 1.00 0.00 C ATOM 3 C LEU A 1 -11.420 4.698 -6.412 1.00 0.00 C ATOM 4 O LEU A 1 -11.279 4.873 -5.218 1.00 0.00 O ATOM 5 CB LEU A 1 -11.270 7.178 -6.659 1.00 0.00 C ATOM 6 CG LEU A 1 -9.755 7.381 -6.706 1.00 0.00 C ATOM 7 CD1 LEU A 1 -9.066 6.268 -5.914 1.00 0.00 C ATOM 8 CD2 LEU A 1 -9.280 7.339 -8.159 1.00 0.00 C ATOM 0 H1 LEU A 1 -13.207 6.718 -8.437 1.00 0.00 H new ATOM 0 H2 LEU A 1 -13.311 5.032 -8.270 1.00 0.00 H new ATOM 0 H3 LEU A 1 -13.667 6.039 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 1 -11.001 5.746 -8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -11.775 8.017 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -11.612 7.150 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 1 -9.505 8.348 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -7.986 6.413 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -9.404 6.296 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -9.316 5.302 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -8.200 7.484 -8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -9.531 6.372 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.770 8.131 -8.725 1.00 0.00 H new ATOM 22 N GLU A 2 -11.394 3.500 -6.927 1.00 0.00 N ATOM 23 CA GLU A 2 -11.188 2.314 -6.049 1.00 0.00 C ATOM 24 C GLU A 2 -9.905 1.590 -6.466 1.00 0.00 C ATOM 25 O GLU A 2 -9.460 1.694 -7.591 1.00 0.00 O ATOM 26 CB GLU A 2 -12.379 1.364 -6.186 1.00 0.00 C ATOM 27 CG GLU A 2 -13.215 1.404 -4.904 1.00 0.00 C ATOM 28 CD GLU A 2 -13.557 -0.022 -4.468 1.00 0.00 C ATOM 29 OE1 GLU A 2 -13.131 -0.946 -5.142 1.00 0.00 O ATOM 30 OE2 GLU A 2 -14.239 -0.166 -3.468 1.00 0.00 O ATOM 0 H GLU A 2 -11.507 3.291 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.102 2.639 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.991 1.652 -7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.028 0.349 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.663 1.914 -4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.130 1.973 -5.072 1.00 0.00 H new ATOM 37 N CYS A 3 -9.307 0.858 -5.567 1.00 0.00 N ATOM 38 CA CYS A 3 -8.054 0.129 -5.912 1.00 0.00 C ATOM 39 C CYS A 3 -8.121 -1.295 -5.353 1.00 0.00 C ATOM 40 O CYS A 3 -9.060 -1.662 -4.674 1.00 0.00 O ATOM 41 CB CYS A 3 -6.855 0.862 -5.302 1.00 0.00 C ATOM 42 SG CYS A 3 -6.266 2.127 -6.456 1.00 0.00 S ATOM 0 H CYS A 3 -9.632 0.733 -4.608 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.943 0.088 -6.996 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.140 1.323 -4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.056 0.154 -5.084 1.00 0.00 H new ATOM 47 N HIS A 4 -7.133 -2.101 -5.633 1.00 0.00 N ATOM 48 CA HIS A 4 -7.145 -3.498 -5.116 1.00 0.00 C ATOM 49 C HIS A 4 -6.249 -3.591 -3.879 1.00 0.00 C ATOM 50 O HIS A 4 -5.113 -3.156 -3.891 1.00 0.00 O ATOM 51 CB HIS A 4 -6.627 -4.448 -6.197 1.00 0.00 C ATOM 52 CG HIS A 4 -7.762 -4.836 -7.105 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.553 -5.411 -8.349 1.00 0.00 N ATOM 54 CD2 HIS A 4 -9.124 -4.737 -6.962 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.760 -5.634 -8.901 1.00 0.00 C ATOM 56 NE2 HIS A 4 -9.752 -5.241 -8.098 1.00 0.00 N ATOM 0 H HIS A 4 -6.320 -1.853 -6.196 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.164 -3.778 -4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.835 -3.967 -6.771 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.193 -5.337 -5.739 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.631 -4.330 -6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.908 -6.077 -9.875 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -10.754 -5.298 -8.278 1.00 0.00 H new ATOM 64 N ASN A 5 -6.750 -4.150 -2.811 1.00 0.00 N ATOM 65 CA ASN A 5 -5.927 -4.265 -1.575 1.00 0.00 C ATOM 66 C ASN A 5 -5.344 -5.676 -1.472 1.00 0.00 C ATOM 67 O ASN A 5 -6.051 -6.642 -1.272 1.00 0.00 O ATOM 68 CB ASN A 5 -6.804 -3.987 -0.352 1.00 0.00 C ATOM 69 CG ASN A 5 -5.990 -4.218 0.923 1.00 0.00 C ATOM 70 OD1 ASN A 5 -6.536 -4.553 1.954 1.00 0.00 O ATOM 71 ND2 ASN A 5 -4.696 -4.050 0.895 1.00 0.00 N ATOM 0 H ASN A 5 -7.693 -4.532 -2.742 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.114 -3.540 -1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.172 -2.961 -0.381 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.677 -4.639 -0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.144 -4.200 1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.237 -3.769 0.029 1.00 0.00 H new ATOM 78 N GLN A 6 -4.054 -5.797 -1.609 1.00 0.00 N ATOM 79 CA GLN A 6 -3.411 -7.137 -1.520 1.00 0.00 C ATOM 80 C GLN A 6 -2.030 -6.993 -0.875 1.00 0.00 C ATOM 81 O GLN A 6 -1.288 -6.078 -1.172 1.00 0.00 O ATOM 82 CB GLN A 6 -3.262 -7.721 -2.923 1.00 0.00 C ATOM 83 CG GLN A 6 -2.319 -6.843 -3.746 1.00 0.00 C ATOM 84 CD GLN A 6 -2.039 -7.517 -5.090 1.00 0.00 C ATOM 85 OE1 GLN A 6 -1.191 -8.381 -5.184 1.00 0.00 O ATOM 86 NE2 GLN A 6 -2.724 -7.158 -6.141 1.00 0.00 N ATOM 0 H GLN A 6 -3.414 -5.021 -1.780 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.028 -7.801 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.872 -8.737 -2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -4.236 -7.781 -3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.765 -5.861 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.386 -6.685 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.436 -6.432 -6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.547 -7.603 -7.042 1.00 0.00 H new ATOM 95 N GLN A 7 -1.678 -7.888 0.007 1.00 0.00 N ATOM 96 CA GLN A 7 -0.346 -7.797 0.669 1.00 0.00 C ATOM 97 C GLN A 7 0.731 -8.366 -0.259 1.00 0.00 C ATOM 98 O GLN A 7 0.590 -9.443 -0.804 1.00 0.00 O ATOM 99 CB GLN A 7 -0.371 -8.598 1.974 1.00 0.00 C ATOM 100 CG GLN A 7 -0.728 -7.672 3.138 1.00 0.00 C ATOM 101 CD GLN A 7 0.321 -7.809 4.243 1.00 0.00 C ATOM 102 OE1 GLN A 7 1.049 -6.877 4.523 1.00 0.00 O ATOM 103 NE2 GLN A 7 0.430 -8.938 4.887 1.00 0.00 N ATOM 0 H GLN A 7 -2.255 -8.678 0.298 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.120 -6.753 0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.099 -9.406 1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.601 -9.059 2.148 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.775 -6.639 2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.715 -7.923 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.181 -9.720 4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.126 -9.039 5.626 1.00 0.00 H new ATOM 112 N SER A 8 1.809 -7.652 -0.437 1.00 0.00 N ATOM 113 CA SER A 8 2.898 -8.147 -1.325 1.00 0.00 C ATOM 114 C SER A 8 2.295 -8.744 -2.601 1.00 0.00 C ATOM 115 O SER A 8 2.017 -8.043 -3.553 1.00 0.00 O ATOM 116 CB SER A 8 3.704 -9.218 -0.589 1.00 0.00 C ATOM 117 OG SER A 8 2.831 -9.978 0.237 1.00 0.00 O ATOM 0 H SER A 8 1.982 -6.745 -0.004 1.00 0.00 H new ATOM 0 HA SER A 8 3.552 -7.317 -1.593 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.204 -9.869 -1.305 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.482 -8.752 0.016 1.00 0.00 H new ATOM 0 HG SER A 8 3.344 -10.667 0.709 1.00 0.00 H new ATOM 123 N SER A 9 2.092 -10.034 -2.631 1.00 0.00 N ATOM 124 CA SER A 9 1.510 -10.665 -3.849 1.00 0.00 C ATOM 125 C SER A 9 0.826 -11.978 -3.466 1.00 0.00 C ATOM 126 O SER A 9 1.341 -13.051 -3.711 1.00 0.00 O ATOM 127 CB SER A 9 2.625 -10.947 -4.857 1.00 0.00 C ATOM 128 OG SER A 9 2.884 -9.771 -5.612 1.00 0.00 O ATOM 0 H SER A 9 2.304 -10.676 -1.867 1.00 0.00 H new ATOM 0 HA SER A 9 0.778 -9.991 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.529 -11.266 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.334 -11.762 -5.520 1.00 0.00 H new ATOM 0 HG SER A 9 2.574 -8.987 -5.113 1.00 0.00 H new ATOM 134 N GLN A 10 -0.330 -11.901 -2.867 1.00 0.00 N ATOM 135 CA GLN A 10 -1.046 -13.146 -2.471 1.00 0.00 C ATOM 136 C GLN A 10 -2.549 -12.867 -2.405 1.00 0.00 C ATOM 137 O GLN A 10 -3.031 -12.226 -1.492 1.00 0.00 O ATOM 138 CB GLN A 10 -0.548 -13.609 -1.099 1.00 0.00 C ATOM 139 CG GLN A 10 -1.007 -15.046 -0.849 1.00 0.00 C ATOM 140 CD GLN A 10 -1.779 -15.113 0.471 1.00 0.00 C ATOM 141 OE1 GLN A 10 -2.080 -14.097 1.064 1.00 0.00 O ATOM 142 NE2 GLN A 10 -2.115 -16.276 0.957 1.00 0.00 N ATOM 0 H GLN A 10 -0.809 -11.031 -2.635 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.853 -13.927 -3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.540 -13.551 -1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.933 -12.952 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.639 -15.385 -1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.146 -15.713 -0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.862 -17.129 0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.631 -16.332 1.835 1.00 0.00 H new ATOM 151 N THR A 11 -3.292 -13.340 -3.367 1.00 0.00 N ATOM 152 CA THR A 11 -4.761 -13.099 -3.358 1.00 0.00 C ATOM 153 C THR A 11 -5.024 -11.589 -3.436 1.00 0.00 C ATOM 154 O THR A 11 -4.853 -10.885 -2.461 1.00 0.00 O ATOM 155 CB THR A 11 -5.360 -13.655 -2.064 1.00 0.00 C ATOM 156 OG1 THR A 11 -4.980 -15.016 -1.917 1.00 0.00 O ATOM 157 CG2 THR A 11 -6.885 -13.552 -2.120 1.00 0.00 C ATOM 0 H THR A 11 -2.945 -13.882 -4.158 1.00 0.00 H new ATOM 0 HA THR A 11 -5.220 -13.596 -4.212 1.00 0.00 H new ATOM 0 HB THR A 11 -4.991 -13.080 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.361 -15.374 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.311 -13.948 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.175 -12.508 -2.234 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.258 -14.127 -2.968 1.00 0.00 H new ATOM 165 N PRO A 12 -5.430 -11.133 -4.596 1.00 0.00 N ATOM 166 CA PRO A 12 -5.721 -9.707 -4.828 1.00 0.00 C ATOM 167 C PRO A 12 -7.069 -9.332 -4.208 1.00 0.00 C ATOM 168 O PRO A 12 -8.081 -9.940 -4.492 1.00 0.00 O ATOM 169 CB PRO A 12 -5.763 -9.591 -6.354 1.00 0.00 C ATOM 170 CG PRO A 12 -6.054 -11.013 -6.891 1.00 0.00 C ATOM 171 CD PRO A 12 -5.644 -11.994 -5.778 1.00 0.00 C ATOM 0 HA PRO A 12 -4.986 -9.038 -4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.536 -8.891 -6.669 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.816 -9.216 -6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.110 -11.126 -7.138 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.491 -11.205 -7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.421 -12.736 -5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.738 -12.540 -6.042 1.00 0.00 H new ATOM 179 N THR A 13 -7.095 -8.339 -3.355 1.00 0.00 N ATOM 180 CA THR A 13 -8.387 -7.949 -2.723 1.00 0.00 C ATOM 181 C THR A 13 -8.783 -6.542 -3.174 1.00 0.00 C ATOM 182 O THR A 13 -8.256 -6.012 -4.133 1.00 0.00 O ATOM 183 CB THR A 13 -8.239 -7.976 -1.201 1.00 0.00 C ATOM 184 OG1 THR A 13 -7.073 -8.711 -0.854 1.00 0.00 O ATOM 185 CG2 THR A 13 -9.468 -8.642 -0.580 1.00 0.00 C ATOM 0 H THR A 13 -6.285 -7.788 -3.072 1.00 0.00 H new ATOM 0 HA THR A 13 -9.162 -8.653 -3.027 1.00 0.00 H new ATOM 0 HB THR A 13 -8.152 -6.957 -0.825 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.364 -8.091 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.362 -8.661 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.362 -8.078 -0.848 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.557 -9.662 -0.954 1.00 0.00 H new ATOM 193 N THR A 14 -9.714 -5.935 -2.488 1.00 0.00 N ATOM 194 CA THR A 14 -10.154 -4.563 -2.870 1.00 0.00 C ATOM 195 C THR A 14 -9.972 -3.622 -1.678 1.00 0.00 C ATOM 196 O THR A 14 -9.774 -4.053 -0.559 1.00 0.00 O ATOM 197 CB THR A 14 -11.630 -4.595 -3.273 1.00 0.00 C ATOM 198 OG1 THR A 14 -12.381 -5.244 -2.256 1.00 0.00 O ATOM 199 CG2 THR A 14 -11.785 -5.357 -4.589 1.00 0.00 C ATOM 0 H THR A 14 -10.190 -6.332 -1.678 1.00 0.00 H new ATOM 0 HA THR A 14 -9.556 -4.209 -3.709 1.00 0.00 H new ATOM 0 HB THR A 14 -11.995 -3.576 -3.402 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.327 -5.264 -2.511 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.837 -5.379 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.208 -4.859 -5.368 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.422 -6.377 -4.464 1.00 0.00 H new ATOM 207 N THR A 15 -10.038 -2.339 -1.908 1.00 0.00 N ATOM 208 CA THR A 15 -9.868 -1.374 -0.785 1.00 0.00 C ATOM 209 C THR A 15 -11.079 -0.440 -0.720 1.00 0.00 C ATOM 210 O THR A 15 -11.250 0.430 -1.551 1.00 0.00 O ATOM 211 CB THR A 15 -8.599 -0.547 -1.011 1.00 0.00 C ATOM 212 OG1 THR A 15 -8.676 0.650 -0.250 1.00 0.00 O ATOM 213 CG2 THR A 15 -8.470 -0.205 -2.496 1.00 0.00 C ATOM 0 H THR A 15 -10.202 -1.918 -2.823 1.00 0.00 H new ATOM 0 HA THR A 15 -9.784 -1.923 0.153 1.00 0.00 H new ATOM 0 HB THR A 15 -7.727 -1.121 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.158 1.333 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.567 0.384 -2.657 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.412 -1.125 -3.078 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.339 0.371 -2.814 1.00 0.00 H new ATOM 221 N GLY A 16 -11.918 -0.613 0.264 1.00 0.00 N ATOM 222 CA GLY A 16 -13.115 0.268 0.387 1.00 0.00 C ATOM 223 C GLY A 16 -12.771 1.461 1.281 1.00 0.00 C ATOM 224 O GLY A 16 -12.891 1.398 2.489 1.00 0.00 O ATOM 0 H GLY A 16 -11.827 -1.326 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.429 0.615 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.950 -0.290 0.810 1.00 0.00 H new ATOM 228 N CYS A 17 -12.336 2.546 0.700 1.00 0.00 N ATOM 229 CA CYS A 17 -11.976 3.737 1.521 1.00 0.00 C ATOM 230 C CYS A 17 -13.159 4.707 1.573 1.00 0.00 C ATOM 231 O CYS A 17 -14.247 4.402 1.126 1.00 0.00 O ATOM 232 CB CYS A 17 -10.771 4.439 0.893 1.00 0.00 C ATOM 233 SG CYS A 17 -9.434 3.244 0.656 1.00 0.00 S ATOM 0 H CYS A 17 -12.214 2.659 -0.306 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.729 3.416 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -11.052 4.881 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.436 5.254 1.535 1.00 0.00 H new ATOM 238 N SER A 18 -12.951 5.875 2.119 1.00 0.00 N ATOM 239 CA SER A 18 -14.060 6.867 2.205 1.00 0.00 C ATOM 240 C SER A 18 -13.526 8.179 2.785 1.00 0.00 C ATOM 241 O SER A 18 -12.335 8.359 2.947 1.00 0.00 O ATOM 242 CB SER A 18 -15.162 6.321 3.113 1.00 0.00 C ATOM 243 OG SER A 18 -16.320 6.053 2.334 1.00 0.00 O ATOM 0 H SER A 18 -12.061 6.185 2.509 1.00 0.00 H new ATOM 0 HA SER A 18 -14.465 7.047 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.824 5.411 3.608 1.00 0.00 H new ATOM 0 HB3 SER A 18 -15.395 7.042 3.896 1.00 0.00 H new ATOM 0 HG SER A 18 -16.095 5.420 1.620 1.00 0.00 H new ATOM 249 N GLY A 19 -14.398 9.097 3.102 1.00 0.00 N ATOM 250 CA GLY A 19 -13.941 10.396 3.674 1.00 0.00 C ATOM 251 C GLY A 19 -13.053 11.121 2.661 1.00 0.00 C ATOM 252 O GLY A 19 -12.380 12.080 2.986 1.00 0.00 O ATOM 0 H GLY A 19 -15.408 9.004 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.801 11.016 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.389 10.224 4.598 1.00 0.00 H new ATOM 256 N GLY A 20 -13.044 10.673 1.436 1.00 0.00 N ATOM 257 CA GLY A 20 -12.198 11.340 0.406 1.00 0.00 C ATOM 258 C GLY A 20 -12.019 10.408 -0.794 1.00 0.00 C ATOM 259 O GLY A 20 -12.584 10.629 -1.847 1.00 0.00 O ATOM 0 H GLY A 20 -13.585 9.875 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.663 12.273 0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.226 11.595 0.829 1.00 0.00 H new ATOM 263 N GLU A 21 -11.236 9.371 -0.639 1.00 0.00 N ATOM 264 CA GLU A 21 -11.008 8.416 -1.766 1.00 0.00 C ATOM 265 C GLU A 21 -10.904 9.186 -3.083 1.00 0.00 C ATOM 266 O GLU A 21 -11.822 9.205 -3.879 1.00 0.00 O ATOM 267 CB GLU A 21 -12.169 7.420 -1.845 1.00 0.00 C ATOM 268 CG GLU A 21 -13.500 8.156 -1.672 1.00 0.00 C ATOM 269 CD GLU A 21 -14.653 7.158 -1.792 1.00 0.00 C ATOM 270 OE1 GLU A 21 -14.811 6.591 -2.861 1.00 0.00 O ATOM 271 OE2 GLU A 21 -15.359 6.978 -0.814 1.00 0.00 O ATOM 0 H GLU A 21 -10.742 9.143 0.224 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.079 7.873 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.151 6.903 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.061 6.660 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.531 8.649 -0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.598 8.935 -2.428 1.00 0.00 H new ATOM 278 N THR A 22 -9.792 9.828 -3.318 1.00 0.00 N ATOM 279 CA THR A 22 -9.631 10.599 -4.580 1.00 0.00 C ATOM 280 C THR A 22 -8.301 10.228 -5.243 1.00 0.00 C ATOM 281 O THR A 22 -7.956 10.741 -6.290 1.00 0.00 O ATOM 282 CB THR A 22 -9.647 12.096 -4.263 1.00 0.00 C ATOM 283 OG1 THR A 22 -8.663 12.380 -3.278 1.00 0.00 O ATOM 284 CG2 THR A 22 -11.028 12.490 -3.738 1.00 0.00 C ATOM 0 H THR A 22 -8.989 9.851 -2.690 1.00 0.00 H new ATOM 0 HA THR A 22 -10.449 10.361 -5.260 1.00 0.00 H new ATOM 0 HB THR A 22 -9.429 12.664 -5.167 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.671 13.339 -3.075 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.041 13.556 -3.512 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.781 12.271 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.248 11.924 -2.833 1.00 0.00 H new ATOM 292 N ASN A 23 -7.551 9.342 -4.646 1.00 0.00 N ATOM 293 CA ASN A 23 -6.249 8.943 -5.249 1.00 0.00 C ATOM 294 C ASN A 23 -5.820 7.585 -4.688 1.00 0.00 C ATOM 295 O ASN A 23 -6.407 7.076 -3.753 1.00 0.00 O ATOM 296 CB ASN A 23 -5.185 9.993 -4.914 1.00 0.00 C ATOM 297 CG ASN A 23 -5.297 10.384 -3.439 1.00 0.00 C ATOM 298 OD1 ASN A 23 -5.522 9.543 -2.591 1.00 0.00 O ATOM 299 ND2 ASN A 23 -5.147 11.633 -3.095 1.00 0.00 N ATOM 0 H ASN A 23 -7.784 8.878 -3.768 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.359 8.871 -6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.191 9.597 -5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.316 10.872 -5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.219 11.904 -2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.958 12.339 -3.807 1.00 0.00 H new ATOM 306 N CYS A 24 -4.795 6.998 -5.242 1.00 0.00 N ATOM 307 CA CYS A 24 -4.330 5.680 -4.732 1.00 0.00 C ATOM 308 C CYS A 24 -2.823 5.747 -4.500 1.00 0.00 C ATOM 309 O CYS A 24 -2.165 6.671 -4.933 1.00 0.00 O ATOM 310 CB CYS A 24 -4.642 4.588 -5.759 1.00 0.00 C ATOM 311 SG CYS A 24 -6.237 3.825 -5.361 1.00 0.00 S ATOM 0 H CYS A 24 -4.261 7.375 -6.025 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.841 5.445 -3.798 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.670 5.014 -6.762 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.855 3.834 -5.755 1.00 0.00 H new ATOM 316 N TYR A 25 -2.265 4.785 -3.823 1.00 0.00 N ATOM 317 CA TYR A 25 -0.799 4.828 -3.579 1.00 0.00 C ATOM 318 C TYR A 25 -0.260 3.420 -3.324 1.00 0.00 C ATOM 319 O TYR A 25 -0.813 2.658 -2.556 1.00 0.00 O ATOM 320 CB TYR A 25 -0.503 5.713 -2.365 1.00 0.00 C ATOM 321 CG TYR A 25 0.952 6.111 -2.393 1.00 0.00 C ATOM 322 CD1 TYR A 25 1.941 5.128 -2.324 1.00 0.00 C ATOM 323 CD2 TYR A 25 1.315 7.459 -2.504 1.00 0.00 C ATOM 324 CE1 TYR A 25 3.289 5.484 -2.364 1.00 0.00 C ATOM 325 CE2 TYR A 25 2.666 7.819 -2.547 1.00 0.00 C ATOM 326 CZ TYR A 25 3.653 6.831 -2.479 1.00 0.00 C ATOM 327 OH TYR A 25 4.986 7.186 -2.525 1.00 0.00 O ATOM 0 H TYR A 25 -2.754 3.980 -3.432 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.311 5.241 -4.462 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.137 6.600 -2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.729 5.177 -1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.661 4.088 -2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.551 8.221 -2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.051 4.721 -2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.946 8.858 -2.633 1.00 0.00 H new ATOM 0 HH TYR A 25 5.063 8.160 -2.607 1.00 0.00 H new ATOM 337 N LYS A 26 0.832 3.082 -3.955 1.00 0.00 N ATOM 338 CA LYS A 26 1.439 1.740 -3.748 1.00 0.00 C ATOM 339 C LYS A 26 2.855 1.910 -3.186 1.00 0.00 C ATOM 340 O LYS A 26 3.682 2.607 -3.751 1.00 0.00 O ATOM 341 CB LYS A 26 1.509 0.994 -5.083 1.00 0.00 C ATOM 342 CG LYS A 26 2.576 1.633 -5.975 1.00 0.00 C ATOM 343 CD LYS A 26 3.880 0.839 -5.867 1.00 0.00 C ATOM 344 CE LYS A 26 3.750 -0.473 -6.645 1.00 0.00 C ATOM 345 NZ LYS A 26 5.104 -1.062 -6.851 1.00 0.00 N ATOM 0 H LYS A 26 1.332 3.684 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 26 0.829 1.169 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.745 -0.056 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.539 1.026 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.235 1.652 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.743 2.668 -5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.709 1.427 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.106 0.632 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.117 -1.172 -6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.270 -0.292 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.018 -1.954 -7.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.694 -0.396 -7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.546 -1.248 -5.928 1.00 0.00 H new ATOM 359 N LYS A 27 3.143 1.280 -2.079 1.00 0.00 N ATOM 360 CA LYS A 27 4.506 1.400 -1.487 1.00 0.00 C ATOM 361 C LYS A 27 5.059 0.002 -1.245 1.00 0.00 C ATOM 362 O LYS A 27 4.508 -0.771 -0.489 1.00 0.00 O ATOM 363 CB LYS A 27 4.447 2.160 -0.156 1.00 0.00 C ATOM 364 CG LYS A 27 3.235 3.092 -0.139 1.00 0.00 C ATOM 365 CD LYS A 27 2.114 2.452 0.682 1.00 0.00 C ATOM 366 CE LYS A 27 1.544 3.482 1.659 1.00 0.00 C ATOM 367 NZ LYS A 27 0.174 3.876 1.221 1.00 0.00 N ATOM 0 H LYS A 27 2.494 0.688 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 27 5.150 1.949 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.385 1.454 0.673 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.361 2.737 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.510 4.056 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.893 3.281 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.327 2.088 0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.496 1.590 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.510 3.065 2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.191 4.358 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.208 4.589 1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.218 4.274 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.444 3.040 1.221 1.00 0.00 H new ATOM 381 N ARG A 28 6.138 -0.336 -1.887 1.00 0.00 N ATOM 382 CA ARG A 28 6.707 -1.693 -1.695 1.00 0.00 C ATOM 383 C ARG A 28 8.175 -1.595 -1.295 1.00 0.00 C ATOM 384 O ARG A 28 8.976 -0.910 -1.913 1.00 0.00 O ATOM 385 CB ARG A 28 6.571 -2.480 -2.997 1.00 0.00 C ATOM 386 CG ARG A 28 6.791 -3.969 -2.726 1.00 0.00 C ATOM 387 CD ARG A 28 7.497 -4.606 -3.925 1.00 0.00 C ATOM 388 NE ARG A 28 6.759 -4.265 -5.173 1.00 0.00 N ATOM 389 CZ ARG A 28 6.452 -5.205 -6.025 1.00 0.00 C ATOM 390 NH1 ARG A 28 5.391 -5.939 -5.834 1.00 0.00 N ATOM 391 NH2 ARG A 28 7.210 -5.412 -7.068 1.00 0.00 N ATOM 0 H ARG A 28 6.648 0.266 -2.533 1.00 0.00 H new ATOM 0 HA ARG A 28 6.165 -2.205 -0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.582 -2.321 -3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.297 -2.122 -3.727 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.390 -4.101 -1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.835 -4.463 -2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.525 -4.248 -3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.543 -5.688 -3.801 1.00 0.00 H new ATOM 0 HE ARG A 28 6.494 -3.298 -5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.800 -5.779 -5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.152 -6.673 -6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.041 -4.839 -7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.971 -6.146 -7.734 1.00 0.00 H new ATOM 405 N TRP A 29 8.520 -2.278 -0.246 1.00 0.00 N ATOM 406 CA TRP A 29 9.917 -2.253 0.246 1.00 0.00 C ATOM 407 C TRP A 29 10.274 -3.641 0.779 1.00 0.00 C ATOM 408 O TRP A 29 9.824 -4.047 1.834 1.00 0.00 O ATOM 409 CB TRP A 29 10.038 -1.227 1.372 1.00 0.00 C ATOM 410 CG TRP A 29 9.009 -0.147 1.205 1.00 0.00 C ATOM 411 CD1 TRP A 29 8.894 0.677 0.144 1.00 0.00 C ATOM 412 CD2 TRP A 29 7.962 0.238 2.127 1.00 0.00 C ATOM 413 NE1 TRP A 29 7.831 1.536 0.354 1.00 0.00 N ATOM 414 CE2 TRP A 29 7.230 1.309 1.570 1.00 0.00 C ATOM 415 CE3 TRP A 29 7.585 -0.240 3.377 1.00 0.00 C ATOM 416 CZ2 TRP A 29 6.157 1.889 2.245 1.00 0.00 C ATOM 417 CZ3 TRP A 29 6.513 0.336 4.063 1.00 0.00 C ATOM 418 CH2 TRP A 29 5.799 1.402 3.502 1.00 0.00 C ATOM 0 H TRP A 29 7.884 -2.860 0.298 1.00 0.00 H new ATOM 0 HA TRP A 29 10.594 -1.981 -0.563 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.907 -1.718 2.336 1.00 0.00 H new ATOM 0 HB3 TRP A 29 11.037 -0.791 1.370 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.530 0.668 -0.729 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.530 2.249 -0.310 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.125 -1.063 3.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.609 2.706 1.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.233 -0.044 5.034 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.974 1.845 4.040 1.00 0.00 H new ATOM 429 N ARG A 30 11.067 -4.376 0.055 1.00 0.00 N ATOM 430 CA ARG A 30 11.439 -5.744 0.517 1.00 0.00 C ATOM 431 C ARG A 30 12.941 -5.810 0.799 1.00 0.00 C ATOM 432 O ARG A 30 13.749 -5.327 0.032 1.00 0.00 O ATOM 433 CB ARG A 30 11.076 -6.762 -0.567 1.00 0.00 C ATOM 434 CG ARG A 30 11.676 -8.126 -0.212 1.00 0.00 C ATOM 435 CD ARG A 30 10.832 -9.240 -0.838 1.00 0.00 C ATOM 436 NE ARG A 30 10.200 -8.747 -2.095 1.00 0.00 N ATOM 437 CZ ARG A 30 10.589 -9.215 -3.249 1.00 0.00 C ATOM 438 NH1 ARG A 30 11.683 -8.768 -3.801 1.00 0.00 N ATOM 439 NH2 ARG A 30 9.881 -10.129 -3.854 1.00 0.00 N ATOM 0 H ARG A 30 11.474 -4.092 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 30 10.895 -5.974 1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.993 -6.842 -0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.452 -6.428 -1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.703 -8.188 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.711 -8.248 0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.457 -10.107 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.064 -9.565 -0.137 1.00 0.00 H new ATOM 0 HE ARG A 30 9.463 -8.043 -2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.236 -8.052 -3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.986 -9.135 -4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.024 -10.477 -3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.185 -10.495 -4.756 1.00 0.00 H new ATOM 453 N ASP A 31 13.318 -6.412 1.895 1.00 0.00 N ATOM 454 CA ASP A 31 14.766 -6.520 2.230 1.00 0.00 C ATOM 455 C ASP A 31 15.125 -7.993 2.431 1.00 0.00 C ATOM 456 O ASP A 31 14.324 -8.875 2.194 1.00 0.00 O ATOM 457 CB ASP A 31 15.055 -5.750 3.521 1.00 0.00 C ATOM 458 CG ASP A 31 14.404 -4.368 3.452 1.00 0.00 C ATOM 459 OD1 ASP A 31 14.514 -3.734 2.415 1.00 0.00 O ATOM 460 OD2 ASP A 31 13.807 -3.966 4.437 1.00 0.00 O ATOM 0 H ASP A 31 12.684 -6.834 2.573 1.00 0.00 H new ATOM 0 HA ASP A 31 15.360 -6.100 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.670 -6.302 4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.131 -5.649 3.663 1.00 0.00 H new ATOM 465 N HIS A 32 16.322 -8.268 2.872 1.00 0.00 N ATOM 466 CA HIS A 32 16.723 -9.685 3.093 1.00 0.00 C ATOM 467 C HIS A 32 15.948 -10.249 4.285 1.00 0.00 C ATOM 468 O HIS A 32 15.996 -11.430 4.568 1.00 0.00 O ATOM 469 CB HIS A 32 18.224 -9.748 3.386 1.00 0.00 C ATOM 470 CG HIS A 32 18.490 -9.154 4.742 1.00 0.00 C ATOM 471 ND1 HIS A 32 19.306 -9.777 5.674 1.00 0.00 N ATOM 472 CD2 HIS A 32 18.053 -7.998 5.338 1.00 0.00 C ATOM 473 CE1 HIS A 32 19.334 -8.998 6.772 1.00 0.00 C ATOM 474 NE2 HIS A 32 18.587 -7.900 6.620 1.00 0.00 N ATOM 0 H HIS A 32 17.038 -7.574 3.088 1.00 0.00 H new ATOM 0 HA HIS A 32 16.501 -10.272 2.202 1.00 0.00 H new ATOM 0 HB2 HIS A 32 18.569 -10.781 3.355 1.00 0.00 H new ATOM 0 HB3 HIS A 32 18.779 -9.203 2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 32 17.394 -7.274 4.882 1.00 0.00 H new ATOM 0 HE1 HIS A 32 19.892 -9.232 7.667 1.00 0.00 H new ATOM 0 HE2 HIS A 32 18.440 -7.152 7.297 1.00 0.00 H new ATOM 482 N ARG A 33 15.231 -9.413 4.988 1.00 0.00 N ATOM 483 CA ARG A 33 14.455 -9.900 6.164 1.00 0.00 C ATOM 484 C ARG A 33 13.478 -8.810 6.617 1.00 0.00 C ATOM 485 O ARG A 33 13.116 -8.731 7.774 1.00 0.00 O ATOM 486 CB ARG A 33 15.416 -10.231 7.307 1.00 0.00 C ATOM 487 CG ARG A 33 16.138 -8.958 7.754 1.00 0.00 C ATOM 488 CD ARG A 33 15.674 -8.571 9.159 1.00 0.00 C ATOM 489 NE ARG A 33 16.543 -7.481 9.687 1.00 0.00 N ATOM 490 CZ ARG A 33 16.387 -7.056 10.912 1.00 0.00 C ATOM 491 NH1 ARG A 33 16.829 -7.768 11.911 1.00 0.00 N ATOM 492 NH2 ARG A 33 15.787 -5.919 11.136 1.00 0.00 N ATOM 0 H ARG A 33 15.150 -8.414 4.798 1.00 0.00 H new ATOM 0 HA ARG A 33 13.898 -10.795 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.867 -10.663 8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 33 16.141 -10.977 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.216 -9.118 7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.932 -8.147 7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.635 -8.242 9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.717 -9.437 9.819 1.00 0.00 H new ATOM 0 HE ARG A 33 17.260 -7.067 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.297 -8.657 11.736 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.707 -7.436 12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.440 -5.363 10.355 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.665 -5.587 12.093 1.00 0.00 H new ATOM 506 N GLY A 34 13.049 -7.969 5.716 1.00 0.00 N ATOM 507 CA GLY A 34 12.099 -6.887 6.100 1.00 0.00 C ATOM 508 C GLY A 34 10.951 -6.829 5.090 1.00 0.00 C ATOM 509 O GLY A 34 10.777 -5.852 4.389 1.00 0.00 O ATOM 0 H GLY A 34 13.315 -7.984 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.708 -7.071 7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.617 -5.929 6.132 1.00 0.00 H new ATOM 513 N TYR A 35 10.166 -7.868 5.012 1.00 0.00 N ATOM 514 CA TYR A 35 9.028 -7.874 4.050 1.00 0.00 C ATOM 515 C TYR A 35 8.038 -6.770 4.427 1.00 0.00 C ATOM 516 O TYR A 35 7.206 -6.942 5.295 1.00 0.00 O ATOM 517 CB TYR A 35 8.321 -9.230 4.109 1.00 0.00 C ATOM 518 CG TYR A 35 9.032 -10.210 3.209 1.00 0.00 C ATOM 519 CD1 TYR A 35 10.182 -10.870 3.660 1.00 0.00 C ATOM 520 CD2 TYR A 35 8.540 -10.461 1.924 1.00 0.00 C ATOM 521 CE1 TYR A 35 10.839 -11.781 2.824 1.00 0.00 C ATOM 522 CE2 TYR A 35 9.196 -11.372 1.088 1.00 0.00 C ATOM 523 CZ TYR A 35 10.345 -12.032 1.538 1.00 0.00 C ATOM 524 OH TYR A 35 10.992 -12.930 0.715 1.00 0.00 O ATOM 0 H TYR A 35 10.264 -8.714 5.573 1.00 0.00 H new ATOM 0 HA TYR A 35 9.402 -7.700 3.041 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.311 -9.602 5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.282 -9.124 3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.562 -10.676 4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.653 -9.952 1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.726 -12.290 3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.816 -11.566 0.096 1.00 0.00 H new ATOM 0 HH TYR A 35 10.519 -12.988 -0.141 1.00 0.00 H new ATOM 534 N ARG A 36 8.118 -5.636 3.784 1.00 0.00 N ATOM 535 CA ARG A 36 7.176 -4.530 4.117 1.00 0.00 C ATOM 536 C ARG A 36 6.594 -3.945 2.829 1.00 0.00 C ATOM 537 O ARG A 36 7.196 -3.104 2.193 1.00 0.00 O ATOM 538 CB ARG A 36 7.925 -3.434 4.877 1.00 0.00 C ATOM 539 CG ARG A 36 7.998 -3.797 6.360 1.00 0.00 C ATOM 540 CD ARG A 36 7.511 -2.612 7.196 1.00 0.00 C ATOM 541 NE ARG A 36 6.247 -2.981 7.892 1.00 0.00 N ATOM 542 CZ ARG A 36 5.317 -2.085 8.070 1.00 0.00 C ATOM 543 NH1 ARG A 36 4.408 -1.895 7.152 1.00 0.00 N ATOM 544 NH2 ARG A 36 5.293 -1.376 9.165 1.00 0.00 N ATOM 0 H ARG A 36 8.791 -5.429 3.046 1.00 0.00 H new ATOM 0 HA ARG A 36 6.368 -4.919 4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.930 -3.317 4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.417 -2.478 4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.385 -4.675 6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.022 -4.053 6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.271 -2.331 7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.347 -1.745 6.556 1.00 0.00 H new ATOM 0 HE ARG A 36 6.109 -3.934 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.425 -2.448 6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.681 -1.194 7.292 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.002 -1.522 9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.565 -0.675 9.303 1.00 0.00 H new ATOM 558 N THR A 37 5.426 -4.380 2.438 1.00 0.00 N ATOM 559 CA THR A 37 4.815 -3.843 1.189 1.00 0.00 C ATOM 560 C THR A 37 3.304 -3.686 1.375 1.00 0.00 C ATOM 561 O THR A 37 2.601 -4.633 1.665 1.00 0.00 O ATOM 562 CB THR A 37 5.084 -4.807 0.032 1.00 0.00 C ATOM 563 OG1 THR A 37 4.102 -5.834 0.037 1.00 0.00 O ATOM 564 CG2 THR A 37 6.474 -5.425 0.193 1.00 0.00 C ATOM 0 H THR A 37 4.871 -5.081 2.928 1.00 0.00 H new ATOM 0 HA THR A 37 5.255 -2.871 0.967 1.00 0.00 H new ATOM 0 HB THR A 37 5.038 -4.265 -0.912 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.580 -5.783 0.865 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.665 -6.112 -0.632 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.226 -4.636 0.189 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.523 -5.969 1.136 1.00 0.00 H new ATOM 572 N GLU A 38 2.800 -2.494 1.202 1.00 0.00 N ATOM 573 CA GLU A 38 1.336 -2.269 1.360 1.00 0.00 C ATOM 574 C GLU A 38 0.790 -1.578 0.107 1.00 0.00 C ATOM 575 O GLU A 38 1.463 -0.778 -0.521 1.00 0.00 O ATOM 576 CB GLU A 38 1.083 -1.384 2.581 1.00 0.00 C ATOM 577 CG GLU A 38 1.466 -2.144 3.852 1.00 0.00 C ATOM 578 CD GLU A 38 0.988 -1.362 5.077 1.00 0.00 C ATOM 579 OE1 GLU A 38 -0.207 -1.137 5.183 1.00 0.00 O ATOM 580 OE2 GLU A 38 1.824 -1.000 5.889 1.00 0.00 O ATOM 0 H GLU A 38 3.341 -1.665 0.957 1.00 0.00 H new ATOM 0 HA GLU A 38 0.834 -3.227 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.665 -0.466 2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.033 -1.093 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.018 -3.137 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.546 -2.282 3.894 1.00 0.00 H new ATOM 587 N ARG A 39 -0.426 -1.880 -0.261 1.00 0.00 N ATOM 588 CA ARG A 39 -1.023 -1.248 -1.470 1.00 0.00 C ATOM 589 C ARG A 39 -2.493 -0.916 -1.201 1.00 0.00 C ATOM 590 O ARG A 39 -3.378 -1.703 -1.479 1.00 0.00 O ATOM 591 CB ARG A 39 -0.930 -2.220 -2.648 1.00 0.00 C ATOM 592 CG ARG A 39 -0.158 -1.564 -3.794 1.00 0.00 C ATOM 593 CD ARG A 39 1.114 -2.365 -4.078 1.00 0.00 C ATOM 594 NE ARG A 39 0.759 -3.796 -4.300 1.00 0.00 N ATOM 595 CZ ARG A 39 1.626 -4.733 -4.028 1.00 0.00 C ATOM 596 NH1 ARG A 39 1.996 -4.942 -2.794 1.00 0.00 N ATOM 597 NH2 ARG A 39 2.120 -5.463 -4.991 1.00 0.00 N ATOM 0 H ARG A 39 -1.033 -2.540 0.226 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.481 -0.332 -1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.430 -3.137 -2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.929 -2.499 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.780 -1.521 -4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.097 -0.537 -3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.621 -1.964 -4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.807 -2.276 -3.241 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.161 -4.043 -4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.608 -4.373 -2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.674 -5.674 -2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.828 -5.301 -5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.798 -6.195 -4.780 1.00 0.00 H new ATOM 611 N GLY A 40 -2.762 0.241 -0.661 1.00 0.00 N ATOM 612 CA GLY A 40 -4.174 0.622 -0.374 1.00 0.00 C ATOM 613 C GLY A 40 -4.531 1.892 -1.150 1.00 0.00 C ATOM 614 O GLY A 40 -4.061 2.112 -2.249 1.00 0.00 O ATOM 0 H GLY A 40 -2.064 0.940 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.845 -0.189 -0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.306 0.788 0.695 1.00 0.00 H new ATOM 618 N CYS A 41 -5.358 2.731 -0.588 1.00 0.00 N ATOM 619 CA CYS A 41 -5.744 3.986 -1.296 1.00 0.00 C ATOM 620 C CYS A 41 -5.078 5.182 -0.614 1.00 0.00 C ATOM 621 O CYS A 41 -4.219 5.029 0.232 1.00 0.00 O ATOM 622 CB CYS A 41 -7.263 4.153 -1.243 1.00 0.00 C ATOM 623 SG CYS A 41 -7.780 4.387 0.475 1.00 0.00 S ATOM 0 H CYS A 41 -5.783 2.602 0.330 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.419 3.932 -2.335 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.567 5.008 -1.846 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.752 3.275 -1.665 1.00 0.00 H new ATOM 628 N GLY A 42 -5.466 6.376 -0.977 1.00 0.00 N ATOM 629 CA GLY A 42 -4.853 7.582 -0.349 1.00 0.00 C ATOM 630 C GLY A 42 -3.600 7.975 -1.131 1.00 0.00 C ATOM 631 O GLY A 42 -3.373 7.511 -2.231 1.00 0.00 O ATOM 0 H GLY A 42 -6.180 6.568 -1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.566 8.406 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.597 7.375 0.690 1.00 0.00 H new ATOM 635 N CYS A 43 -2.781 8.825 -0.576 1.00 0.00 N ATOM 636 CA CYS A 43 -1.545 9.237 -1.298 1.00 0.00 C ATOM 637 C CYS A 43 -0.599 9.965 -0.337 1.00 0.00 C ATOM 638 O CYS A 43 -0.293 11.125 -0.531 1.00 0.00 O ATOM 639 CB CYS A 43 -1.914 10.168 -2.455 1.00 0.00 C ATOM 640 SG CYS A 43 -0.469 10.415 -3.517 1.00 0.00 S ATOM 0 H CYS A 43 -2.913 9.250 0.342 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.046 8.350 -1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.734 9.741 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.262 11.126 -2.068 1.00 0.00 H new ATOM 645 N PRO A 44 -0.160 9.254 0.671 1.00 0.00 N ATOM 646 CA PRO A 44 0.761 9.795 1.686 1.00 0.00 C ATOM 647 C PRO A 44 2.195 9.817 1.143 1.00 0.00 C ATOM 648 O PRO A 44 2.415 9.811 -0.052 1.00 0.00 O ATOM 649 CB PRO A 44 0.631 8.808 2.849 1.00 0.00 C ATOM 650 CG PRO A 44 0.107 7.484 2.242 1.00 0.00 C ATOM 651 CD PRO A 44 -0.545 7.845 0.894 1.00 0.00 C ATOM 0 HA PRO A 44 0.530 10.820 1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.593 8.657 3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.056 9.187 3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.922 6.774 2.100 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.616 7.012 2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.184 7.202 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.628 7.729 0.932 1.00 0.00 H new ATOM 659 N SER A 45 3.172 9.837 2.010 1.00 0.00 N ATOM 660 CA SER A 45 4.584 9.853 1.544 1.00 0.00 C ATOM 661 C SER A 45 5.451 9.223 2.637 1.00 0.00 C ATOM 662 O SER A 45 5.245 8.086 3.011 1.00 0.00 O ATOM 663 CB SER A 45 5.014 11.299 1.283 1.00 0.00 C ATOM 664 OG SER A 45 4.709 12.091 2.423 1.00 0.00 O ATOM 0 H SER A 45 3.050 9.843 3.023 1.00 0.00 H new ATOM 0 HA SER A 45 4.695 9.289 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.083 11.341 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.500 11.691 0.405 1.00 0.00 H new ATOM 0 HG SER A 45 4.984 13.017 2.261 1.00 0.00 H new ATOM 670 N VAL A 46 6.400 9.940 3.177 1.00 0.00 N ATOM 671 CA VAL A 46 7.225 9.345 4.259 1.00 0.00 C ATOM 672 C VAL A 46 7.996 8.131 3.712 1.00 0.00 C ATOM 673 O VAL A 46 7.690 7.612 2.658 1.00 0.00 O ATOM 674 CB VAL A 46 6.271 8.934 5.398 1.00 0.00 C ATOM 675 CG1 VAL A 46 6.709 7.612 6.043 1.00 0.00 C ATOM 676 CG2 VAL A 46 6.263 10.033 6.462 1.00 0.00 C ATOM 0 H VAL A 46 6.635 10.898 2.918 1.00 0.00 H new ATOM 0 HA VAL A 46 7.958 10.058 4.635 1.00 0.00 H new ATOM 0 HB VAL A 46 5.274 8.797 4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.016 7.350 6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.710 6.823 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.712 7.723 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.590 9.750 7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.271 10.165 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.922 10.968 6.017 1.00 0.00 H new ATOM 686 N LYS A 47 8.995 7.685 4.430 1.00 0.00 N ATOM 687 CA LYS A 47 9.798 6.511 3.972 1.00 0.00 C ATOM 688 C LYS A 47 10.618 6.890 2.737 1.00 0.00 C ATOM 689 O LYS A 47 10.092 7.360 1.748 1.00 0.00 O ATOM 690 CB LYS A 47 8.871 5.341 3.627 1.00 0.00 C ATOM 691 CG LYS A 47 7.983 5.018 4.831 1.00 0.00 C ATOM 692 CD LYS A 47 8.378 3.659 5.411 1.00 0.00 C ATOM 693 CE LYS A 47 8.255 3.700 6.936 1.00 0.00 C ATOM 694 NZ LYS A 47 8.097 2.315 7.461 1.00 0.00 N ATOM 0 H LYS A 47 9.291 8.086 5.320 1.00 0.00 H new ATOM 0 HA LYS A 47 10.470 6.212 4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.254 5.594 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.460 4.466 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.087 5.793 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.935 5.005 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.736 2.878 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.400 3.413 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.140 4.166 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.399 4.310 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.014 2.344 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.240 1.886 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.927 1.747 7.196 1.00 0.00 H new ATOM 708 N ASN A 48 11.905 6.680 2.790 1.00 0.00 N ATOM 709 CA ASN A 48 12.771 7.014 1.624 1.00 0.00 C ATOM 710 C ASN A 48 13.897 5.984 1.531 1.00 0.00 C ATOM 711 O ASN A 48 14.466 5.582 2.527 1.00 0.00 O ATOM 712 CB ASN A 48 13.368 8.411 1.806 1.00 0.00 C ATOM 713 CG ASN A 48 13.874 8.930 0.460 1.00 0.00 C ATOM 714 OD1 ASN A 48 13.109 9.079 -0.473 1.00 0.00 O ATOM 715 ND2 ASN A 48 15.140 9.215 0.315 1.00 0.00 N ATOM 0 H ASN A 48 12.396 6.290 3.594 1.00 0.00 H new ATOM 0 HA ASN A 48 12.178 6.997 0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.616 9.089 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.186 8.377 2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.485 9.562 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.784 9.091 1.097 1.00 0.00 H new ATOM 722 N GLY A 49 14.220 5.549 0.346 1.00 0.00 N ATOM 723 CA GLY A 49 15.304 4.538 0.195 1.00 0.00 C ATOM 724 C GLY A 49 14.705 3.240 -0.345 1.00 0.00 C ATOM 725 O GLY A 49 15.393 2.409 -0.902 1.00 0.00 O ATOM 0 H GLY A 49 13.781 5.849 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.072 4.909 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.787 4.358 1.155 1.00 0.00 H new ATOM 729 N ILE A 50 13.419 3.069 -0.192 1.00 0.00 N ATOM 730 CA ILE A 50 12.762 1.841 -0.699 1.00 0.00 C ATOM 731 C ILE A 50 11.898 2.213 -1.905 1.00 0.00 C ATOM 732 O ILE A 50 12.119 3.228 -2.535 1.00 0.00 O ATOM 733 CB ILE A 50 11.927 1.202 0.424 1.00 0.00 C ATOM 734 CG1 ILE A 50 11.064 2.245 1.169 1.00 0.00 C ATOM 735 CG2 ILE A 50 12.877 0.531 1.419 1.00 0.00 C ATOM 736 CD1 ILE A 50 11.920 3.026 2.173 1.00 0.00 C ATOM 0 H ILE A 50 12.796 3.734 0.266 1.00 0.00 H new ATOM 0 HA ILE A 50 13.504 1.108 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 50 11.251 0.474 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.614 2.932 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.246 1.746 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.299 0.073 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.458 -0.236 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.552 1.278 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.298 3.757 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.349 2.336 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.722 3.541 1.644 1.00 0.00 H new ATOM 748 N GLU A 51 10.941 1.402 -2.255 1.00 0.00 N ATOM 749 CA GLU A 51 10.089 1.725 -3.437 1.00 0.00 C ATOM 750 C GLU A 51 8.782 2.379 -2.972 1.00 0.00 C ATOM 751 O GLU A 51 7.989 1.785 -2.270 1.00 0.00 O ATOM 752 CB GLU A 51 9.776 0.442 -4.208 1.00 0.00 C ATOM 753 CG GLU A 51 10.521 0.456 -5.544 1.00 0.00 C ATOM 754 CD GLU A 51 11.424 -0.775 -5.640 1.00 0.00 C ATOM 755 OE1 GLU A 51 11.258 -1.673 -4.831 1.00 0.00 O ATOM 756 OE2 GLU A 51 12.268 -0.799 -6.520 1.00 0.00 O ATOM 0 H GLU A 51 10.710 0.531 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 51 10.624 2.417 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.073 -0.428 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.703 0.360 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.809 0.462 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.117 1.365 -5.630 1.00 0.00 H new ATOM 763 N ILE A 52 8.566 3.609 -3.358 1.00 0.00 N ATOM 764 CA ILE A 52 7.328 4.337 -2.952 1.00 0.00 C ATOM 765 C ILE A 52 6.792 5.095 -4.173 1.00 0.00 C ATOM 766 O ILE A 52 7.537 5.773 -4.854 1.00 0.00 O ATOM 767 CB ILE A 52 7.671 5.339 -1.836 1.00 0.00 C ATOM 768 CG1 ILE A 52 8.709 4.733 -0.885 1.00 0.00 C ATOM 769 CG2 ILE A 52 6.415 5.676 -1.037 1.00 0.00 C ATOM 770 CD1 ILE A 52 10.093 4.778 -1.526 1.00 0.00 C ATOM 0 H ILE A 52 9.203 4.147 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 52 6.578 3.635 -2.586 1.00 0.00 H new ATOM 0 HB ILE A 52 8.074 6.242 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.717 5.283 0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 52 8.441 3.703 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.665 6.386 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.670 6.117 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.012 4.766 -0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.824 4.345 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.082 4.208 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.362 5.813 -1.738 1.00 0.00 H new ATOM 782 N ASN A 53 5.521 4.991 -4.476 1.00 0.00 N ATOM 783 CA ASN A 53 4.996 5.715 -5.665 1.00 0.00 C ATOM 784 C ASN A 53 3.478 5.864 -5.567 1.00 0.00 C ATOM 785 O ASN A 53 2.771 4.942 -5.223 1.00 0.00 O ATOM 786 CB ASN A 53 5.350 4.931 -6.929 1.00 0.00 C ATOM 787 CG ASN A 53 6.566 5.571 -7.601 1.00 0.00 C ATOM 788 OD1 ASN A 53 6.667 6.780 -7.675 1.00 0.00 O ATOM 789 ND2 ASN A 53 7.500 4.806 -8.096 1.00 0.00 N ATOM 0 H ASN A 53 4.836 4.443 -3.956 1.00 0.00 H new ATOM 0 HA ASN A 53 5.446 6.707 -5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.565 3.892 -6.678 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.503 4.925 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.315 5.223 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.415 3.791 -8.034 1.00 0.00 H new ATOM 796 N CYS A 54 2.982 7.024 -5.882 1.00 0.00 N ATOM 797 CA CYS A 54 1.509 7.265 -5.830 1.00 0.00 C ATOM 798 C CYS A 54 0.931 7.141 -7.243 1.00 0.00 C ATOM 799 O CYS A 54 1.653 7.189 -8.219 1.00 0.00 O ATOM 800 CB CYS A 54 1.246 8.679 -5.305 1.00 0.00 C ATOM 801 SG CYS A 54 -0.474 8.818 -4.756 1.00 0.00 S ATOM 0 H CYS A 54 3.537 7.827 -6.177 1.00 0.00 H new ATOM 0 HA CYS A 54 1.040 6.534 -5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.921 8.901 -4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.448 9.411 -6.087 1.00 0.00 H new ATOM 806 N CYS A 55 -0.361 6.981 -7.370 1.00 0.00 N ATOM 807 CA CYS A 55 -0.952 6.854 -8.734 1.00 0.00 C ATOM 808 C CYS A 55 -2.452 7.154 -8.687 1.00 0.00 C ATOM 809 O CYS A 55 -3.072 7.123 -7.644 1.00 0.00 O ATOM 810 CB CYS A 55 -0.737 5.433 -9.253 1.00 0.00 C ATOM 811 SG CYS A 55 -1.019 5.397 -11.041 1.00 0.00 S ATOM 0 H CYS A 55 -1.025 6.933 -6.597 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.465 7.567 -9.399 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.276 5.101 -9.027 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.418 4.744 -8.752 1.00 0.00 H new ATOM 816 N THR A 56 -3.039 7.439 -9.819 1.00 0.00 N ATOM 817 CA THR A 56 -4.498 7.734 -9.858 1.00 0.00 C ATOM 818 C THR A 56 -5.012 7.547 -11.287 1.00 0.00 C ATOM 819 O THR A 56 -5.172 8.496 -12.028 1.00 0.00 O ATOM 820 CB THR A 56 -4.740 9.176 -9.406 1.00 0.00 C ATOM 821 OG1 THR A 56 -3.808 10.035 -10.048 1.00 0.00 O ATOM 822 CG2 THR A 56 -4.566 9.266 -7.890 1.00 0.00 C ATOM 0 H THR A 56 -2.567 7.480 -10.722 1.00 0.00 H new ATOM 0 HA THR A 56 -5.028 7.055 -9.190 1.00 0.00 H new ATOM 0 HB THR A 56 -5.752 9.480 -9.673 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.938 9.992 -11.018 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.738 10.292 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.283 8.606 -7.402 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.553 8.965 -7.621 1.00 0.00 H new ATOM 830 N THR A 57 -5.268 6.329 -11.680 1.00 0.00 N ATOM 831 CA THR A 57 -5.767 6.078 -13.062 1.00 0.00 C ATOM 832 C THR A 57 -6.811 4.960 -13.031 1.00 0.00 C ATOM 833 O THR A 57 -6.828 4.091 -13.880 1.00 0.00 O ATOM 834 CB THR A 57 -4.599 5.657 -13.957 1.00 0.00 C ATOM 835 OG1 THR A 57 -3.544 5.152 -13.150 1.00 0.00 O ATOM 836 CG2 THR A 57 -4.103 6.864 -14.754 1.00 0.00 C ATOM 0 H THR A 57 -5.153 5.496 -11.103 1.00 0.00 H new ATOM 0 HA THR A 57 -6.219 6.988 -13.456 1.00 0.00 H new ATOM 0 HB THR A 57 -4.931 4.882 -14.647 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.037 5.899 -12.769 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.271 6.563 -15.391 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.913 7.249 -15.373 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.770 7.642 -14.067 1.00 0.00 H new ATOM 844 N ASP A 58 -7.679 4.973 -12.057 1.00 0.00 N ATOM 845 CA ASP A 58 -8.716 3.908 -11.971 1.00 0.00 C ATOM 846 C ASP A 58 -8.037 2.538 -11.985 1.00 0.00 C ATOM 847 O ASP A 58 -7.683 2.020 -13.026 1.00 0.00 O ATOM 848 CB ASP A 58 -9.667 4.021 -13.165 1.00 0.00 C ATOM 849 CG ASP A 58 -11.080 4.325 -12.664 1.00 0.00 C ATOM 850 OD1 ASP A 58 -11.202 5.099 -11.730 1.00 0.00 O ATOM 851 OD2 ASP A 58 -12.016 3.779 -13.224 1.00 0.00 O ATOM 0 H ASP A 58 -7.714 5.675 -11.318 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.282 4.025 -11.047 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.331 4.810 -13.838 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.664 3.092 -13.735 1.00 0.00 H new ATOM 856 N ARG A 59 -7.850 1.948 -10.837 1.00 0.00 N ATOM 857 CA ARG A 59 -7.191 0.613 -10.783 1.00 0.00 C ATOM 858 C ARG A 59 -5.754 0.736 -11.294 1.00 0.00 C ATOM 859 O ARG A 59 -5.330 0.005 -12.167 1.00 0.00 O ATOM 860 CB ARG A 59 -7.965 -0.374 -11.659 1.00 0.00 C ATOM 861 CG ARG A 59 -8.973 -1.136 -10.797 1.00 0.00 C ATOM 862 CD ARG A 59 -10.334 -1.151 -11.492 1.00 0.00 C ATOM 863 NE ARG A 59 -10.764 -2.561 -11.712 1.00 0.00 N ATOM 864 CZ ARG A 59 -12.032 -2.848 -11.827 1.00 0.00 C ATOM 865 NH1 ARG A 59 -12.606 -2.809 -12.998 1.00 0.00 N ATOM 866 NH2 ARG A 59 -12.726 -3.177 -10.771 1.00 0.00 N ATOM 0 H ARG A 59 -8.125 2.333 -9.933 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.181 0.252 -9.755 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.482 0.159 -12.457 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.276 -1.072 -12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.627 -2.156 -10.631 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.059 -0.665 -9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.071 -0.626 -10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.274 -0.625 -12.445 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.066 -3.303 -11.773 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.064 -2.554 -13.824 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.597 -3.033 -13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.277 -3.210 -9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.717 -3.401 -10.861 1.00 0.00 H new ATOM 880 N CYS A 60 -5.001 1.655 -10.755 1.00 0.00 N ATOM 881 CA CYS A 60 -3.592 1.824 -11.208 1.00 0.00 C ATOM 882 C CYS A 60 -2.723 0.727 -10.590 1.00 0.00 C ATOM 883 O CYS A 60 -1.773 0.263 -11.189 1.00 0.00 O ATOM 884 CB CYS A 60 -3.075 3.194 -10.765 1.00 0.00 C ATOM 885 SG CYS A 60 -1.416 3.458 -11.441 1.00 0.00 S ATOM 0 H CYS A 60 -5.301 2.296 -10.020 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.549 1.753 -12.295 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.749 3.978 -11.110 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.050 3.251 -9.677 1.00 0.00 H new ATOM 890 N ASN A 61 -3.041 0.308 -9.395 1.00 0.00 N ATOM 891 CA ASN A 61 -2.233 -0.758 -8.738 1.00 0.00 C ATOM 892 C ASN A 61 -2.221 -2.008 -9.619 1.00 0.00 C ATOM 893 O ASN A 61 -3.127 -2.818 -9.577 1.00 0.00 O ATOM 894 CB ASN A 61 -2.845 -1.095 -7.375 1.00 0.00 C ATOM 895 CG ASN A 61 -2.236 -2.396 -6.846 1.00 0.00 C ATOM 896 OD1 ASN A 61 -1.044 -2.475 -6.622 1.00 0.00 O ATOM 897 ND2 ASN A 61 -3.010 -3.426 -6.637 1.00 0.00 N ATOM 0 H ASN A 61 -3.826 0.658 -8.846 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.211 -0.406 -8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.661 -0.283 -6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.926 -1.198 -7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.615 -4.298 -6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.010 -3.359 -6.825 1.00 0.00 H new ATOM 904 N ASN A 62 -1.202 -2.175 -10.416 1.00 0.00 N ATOM 905 CA ASN A 62 -1.132 -3.374 -11.298 1.00 0.00 C ATOM 906 C ASN A 62 -1.499 -4.622 -10.491 1.00 0.00 C ATOM 907 O ASN A 62 -0.999 -4.756 -9.385 1.00 0.00 O ATOM 908 CB ASN A 62 0.290 -3.521 -11.846 1.00 0.00 C ATOM 909 CG ASN A 62 0.627 -2.336 -12.760 1.00 0.00 C ATOM 910 OD1 ASN A 62 1.701 -2.284 -13.326 1.00 0.00 O ATOM 911 ND2 ASN A 62 -0.243 -1.375 -12.933 1.00 0.00 N ATOM 912 OXT ASN A 62 -2.273 -5.420 -10.991 1.00 0.00 O ATOM 0 H ASN A 62 -0.414 -1.532 -10.495 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.831 -3.258 -12.126 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.002 -3.569 -11.022 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.380 -4.455 -12.400 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.018 -0.587 -13.541 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.146 -1.413 -12.460 1.00 0.00 H new