USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 449 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 25 LYS NZ :NH3+ 142:sc= -1.99! (180deg=-4.01!) USER MOD Set 1.2: A 52 ASN : amide:sc= -0.0928 K(o=-2.1,f=-4.2) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= -3.94! C(o=-3.9!,f=-7.8!) USER MOD Set 3.1: A 9 SER OG : rot 180:sc= 0.0169 USER MOD Set 3.2: A 10 GLN : amide:sc= -3.12! C(o=-3.1!,f=-9.6!) USER MOD Set 4.1: A 5 ASN : amide:sc= -1.82! C(o=-0.92!,f=-13!) USER MOD Set 4.2: A 13 THR OG1 : rot 98:sc= 0.895 USER MOD Set 5.1: A 4 HIS : no HE2:sc= -6.65! C(o=-13!,f=-16!) USER MOD Set 5.2: A 6 GLN : amide:sc= -3.89! C(o=-13!,f=-13!) USER MOD Set 5.3: A 61 ASN : amide:sc= -2.91! C(o=-13!,f=-14!) USER MOD Single : A 1 LEU N :NH3+ 142:sc= 0.0183 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.0069) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 43:sc= 0.0833 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.85 USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= -4.99! (180deg=-9!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -139:sc= -1.37 (180deg=-3.72!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.45! USER MOD Single : A 60 ASN : amide:sc= -3.79! C(o=-3.8!,f=-21!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.239 -15.326 1.992 1.00 0.00 N ATOM 2 CA LEU A 1 -5.880 -14.291 1.037 1.00 0.00 C ATOM 3 C LEU A 1 -4.701 -13.485 1.585 1.00 0.00 C ATOM 4 O LEU A 1 -4.695 -13.103 2.754 1.00 0.00 O ATOM 5 CB LEU A 1 -7.100 -13.437 0.687 1.00 0.00 C ATOM 6 CG LEU A 1 -6.820 -12.164 -0.114 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.563 -12.489 -1.587 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.950 -11.147 0.060 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.273 -15.432 2.017 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.806 -16.227 1.706 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.895 -15.061 2.937 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.553 -14.737 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.799 -14.052 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.600 -13.157 1.614 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.912 -11.706 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.367 -11.567 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.700 -13.150 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.439 -12.982 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.726 -10.252 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.887 -11.581 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -8.043 -10.883 1.114 1.00 0.00 H new ATOM 22 N GLU A 2 -3.731 -13.248 0.714 1.00 0.00 N ATOM 23 CA GLU A 2 -2.549 -12.494 1.096 1.00 0.00 C ATOM 24 C GLU A 2 -2.552 -11.123 0.416 1.00 0.00 C ATOM 25 O GLU A 2 -3.067 -10.976 -0.691 1.00 0.00 O ATOM 26 CB GLU A 2 -1.273 -13.268 0.762 1.00 0.00 C ATOM 27 CG GLU A 2 -0.167 -12.964 1.775 1.00 0.00 C ATOM 28 CD GLU A 2 1.037 -13.886 1.566 1.00 0.00 C ATOM 29 OE1 GLU A 2 1.738 -13.683 0.552 1.00 0.00 O ATOM 30 OE2 GLU A 2 1.227 -14.774 2.425 1.00 0.00 O ATOM 0 H GLU A 2 -3.740 -13.565 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.571 -12.343 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.483 -14.338 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.935 -13.005 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.145 -11.924 1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.552 -13.087 2.787 1.00 0.00 H new ATOM 37 N CYS A 3 -1.972 -10.154 1.108 1.00 0.00 N ATOM 38 CA CYS A 3 -1.901 -8.800 0.586 1.00 0.00 C ATOM 39 C CYS A 3 -0.528 -8.221 0.935 1.00 0.00 C ATOM 40 O CYS A 3 -0.020 -8.439 2.034 1.00 0.00 O ATOM 41 CB CYS A 3 -3.040 -7.928 1.118 1.00 0.00 C ATOM 42 SG CYS A 3 -4.690 -8.720 1.091 1.00 0.00 S ATOM 0 H CYS A 3 -1.547 -10.280 2.026 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.021 -8.819 -0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.808 -7.638 2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.083 -7.012 0.529 1.00 0.00 H new ATOM 47 N HIS A 4 0.033 -7.494 -0.020 1.00 0.00 N ATOM 48 CA HIS A 4 1.336 -6.883 0.172 1.00 0.00 C ATOM 49 C HIS A 4 1.247 -5.820 1.270 1.00 0.00 C ATOM 50 O HIS A 4 0.300 -5.036 1.304 1.00 0.00 O ATOM 51 CB HIS A 4 1.877 -6.329 -1.147 1.00 0.00 C ATOM 52 CG HIS A 4 2.592 -7.352 -1.996 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.944 -7.622 -1.865 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.131 -8.169 -2.986 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.269 -8.560 -2.743 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.145 -8.897 -3.437 1.00 0.00 N ATOM 0 H HIS A 4 -0.392 -7.315 -0.930 1.00 0.00 H new ATOM 0 HA HIS A 4 2.050 -7.638 0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.049 -5.911 -1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.562 -5.509 -0.931 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.581 -7.175 -1.205 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.113 -8.216 -3.343 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.252 -8.983 -2.884 1.00 0.00 H new ATOM 65 N ASN A 5 2.247 -5.828 2.139 1.00 0.00 N ATOM 66 CA ASN A 5 2.294 -4.875 3.235 1.00 0.00 C ATOM 67 C ASN A 5 3.552 -4.014 3.103 1.00 0.00 C ATOM 68 O ASN A 5 3.948 -3.338 4.051 1.00 0.00 O ATOM 69 CB ASN A 5 2.350 -5.590 4.586 1.00 0.00 C ATOM 70 CG ASN A 5 3.775 -6.043 4.908 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.440 -6.696 4.120 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.206 -5.661 6.107 1.00 0.00 N ATOM 0 H ASN A 5 3.031 -6.479 2.106 1.00 0.00 H new ATOM 0 HA ASN A 5 1.393 -4.264 3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.991 -4.923 5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.685 -6.453 4.572 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.145 -5.913 6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.598 -5.116 6.718 1.00 0.00 H new ATOM 79 N GLN A 6 4.145 -4.067 1.919 1.00 0.00 N ATOM 80 CA GLN A 6 5.351 -3.301 1.651 1.00 0.00 C ATOM 81 C GLN A 6 5.007 -1.824 1.450 1.00 0.00 C ATOM 82 O GLN A 6 3.994 -1.497 0.834 1.00 0.00 O ATOM 83 CB GLN A 6 6.097 -3.860 0.439 1.00 0.00 C ATOM 84 CG GLN A 6 5.121 -4.260 -0.670 1.00 0.00 C ATOM 85 CD GLN A 6 5.741 -4.040 -2.051 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.204 -2.963 -2.388 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.723 -5.118 -2.830 1.00 0.00 N ATOM 0 H GLN A 6 3.813 -4.628 1.135 1.00 0.00 H new ATOM 0 HA GLN A 6 6.012 -3.386 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.796 -3.113 0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.687 -4.726 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.843 -5.308 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.205 -3.676 -0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.320 -5.989 -2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.112 -5.073 -3.772 1.00 0.00 H new ATOM 96 N GLN A 7 5.870 -0.971 1.982 1.00 0.00 N ATOM 97 CA GLN A 7 5.670 0.464 1.869 1.00 0.00 C ATOM 98 C GLN A 7 6.664 1.061 0.870 1.00 0.00 C ATOM 99 O GLN A 7 7.674 0.439 0.548 1.00 0.00 O ATOM 100 CB GLN A 7 5.790 1.144 3.235 1.00 0.00 C ATOM 101 CG GLN A 7 4.653 0.713 4.163 1.00 0.00 C ATOM 102 CD GLN A 7 4.561 1.633 5.382 1.00 0.00 C ATOM 103 OE1 GLN A 7 4.669 1.210 6.521 1.00 0.00 O ATOM 104 NE2 GLN A 7 4.357 2.912 5.079 1.00 0.00 N ATOM 0 H GLN A 7 6.709 -1.246 2.492 1.00 0.00 H new ATOM 0 HA GLN A 7 4.661 0.643 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.749 0.892 3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.771 2.227 3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.709 0.729 3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.815 -0.314 4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.276 3.198 4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.282 3.606 5.822 1.00 0.00 H new ATOM 113 N SER A 8 6.342 2.261 0.409 1.00 0.00 N ATOM 114 CA SER A 8 7.193 2.948 -0.546 1.00 0.00 C ATOM 115 C SER A 8 7.839 1.937 -1.495 1.00 0.00 C ATOM 116 O SER A 8 7.167 1.040 -2.002 1.00 0.00 O ATOM 117 CB SER A 8 8.270 3.769 0.167 1.00 0.00 C ATOM 118 OG SER A 8 7.743 4.495 1.274 1.00 0.00 O ATOM 0 H SER A 8 5.503 2.774 0.680 1.00 0.00 H new ATOM 0 HA SER A 8 6.573 3.634 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.062 3.105 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.723 4.464 -0.540 1.00 0.00 H new ATOM 0 HG SER A 8 8.462 5.004 1.703 1.00 0.00 H new ATOM 124 N SER A 9 9.134 2.115 -1.707 1.00 0.00 N ATOM 125 CA SER A 9 9.878 1.229 -2.587 1.00 0.00 C ATOM 126 C SER A 9 10.511 0.098 -1.775 1.00 0.00 C ATOM 127 O SER A 9 11.185 -0.768 -2.332 1.00 0.00 O ATOM 128 CB SER A 9 10.953 1.995 -3.359 1.00 0.00 C ATOM 129 OG SER A 9 11.598 2.973 -2.548 1.00 0.00 O ATOM 0 H SER A 9 9.688 2.860 -1.285 1.00 0.00 H new ATOM 0 HA SER A 9 9.184 0.803 -3.312 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.695 1.293 -3.740 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.501 2.482 -4.223 1.00 0.00 H new ATOM 0 HG SER A 9 12.279 3.439 -3.077 1.00 0.00 H new ATOM 135 N GLN A 10 10.273 0.141 -0.473 1.00 0.00 N ATOM 136 CA GLN A 10 10.812 -0.870 0.421 1.00 0.00 C ATOM 137 C GLN A 10 10.626 -2.264 -0.181 1.00 0.00 C ATOM 138 O GLN A 10 9.913 -2.427 -1.170 1.00 0.00 O ATOM 139 CB GLN A 10 10.166 -0.779 1.805 1.00 0.00 C ATOM 140 CG GLN A 10 10.074 0.674 2.273 1.00 0.00 C ATOM 141 CD GLN A 10 11.212 1.512 1.687 1.00 0.00 C ATOM 142 OE1 GLN A 10 11.061 2.203 0.692 1.00 0.00 O ATOM 143 NE2 GLN A 10 12.357 1.413 2.356 1.00 0.00 N ATOM 0 H GLN A 10 9.714 0.861 -0.015 1.00 0.00 H new ATOM 0 HA GLN A 10 11.880 -0.688 0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.169 -1.219 1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.748 -1.359 2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.115 1.096 1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.113 0.712 3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.416 0.816 3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.177 1.934 2.044 1.00 0.00 H new ATOM 152 N PRO A 11 11.280 -3.235 0.441 1.00 0.00 N ATOM 153 CA PRO A 11 11.247 -4.642 0.039 1.00 0.00 C ATOM 154 C PRO A 11 9.806 -5.157 0.067 1.00 0.00 C ATOM 155 O PRO A 11 9.108 -5.002 1.068 1.00 0.00 O ATOM 156 CB PRO A 11 12.072 -5.346 1.119 1.00 0.00 C ATOM 157 CG PRO A 11 12.977 -4.267 1.638 1.00 0.00 C ATOM 158 CD PRO A 11 12.126 -3.029 1.619 1.00 0.00 C ATOM 0 HA PRO A 11 11.630 -4.808 -0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.437 -5.750 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.640 -6.181 0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.329 -4.493 2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.860 -4.152 1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.535 -2.931 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.729 -2.125 1.531 1.00 0.00 H new ATOM 166 N PRO A 12 9.404 -5.759 -1.043 1.00 0.00 N ATOM 167 CA PRO A 12 8.069 -6.326 -1.237 1.00 0.00 C ATOM 168 C PRO A 12 7.799 -7.396 -0.177 1.00 0.00 C ATOM 169 O PRO A 12 8.579 -8.335 -0.027 1.00 0.00 O ATOM 170 CB PRO A 12 8.148 -6.973 -2.622 1.00 0.00 C ATOM 171 CG PRO A 12 9.239 -6.208 -3.313 1.00 0.00 C ATOM 172 CD PRO A 12 10.244 -5.938 -2.229 1.00 0.00 C ATOM 0 HA PRO A 12 7.274 -5.585 -1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.385 -8.035 -2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.202 -6.891 -3.156 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.677 -6.786 -4.127 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.863 -5.282 -3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.942 -6.767 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.838 -5.049 -2.441 1.00 0.00 H new ATOM 180 N THR A 13 6.692 -7.219 0.530 1.00 0.00 N ATOM 181 CA THR A 13 6.311 -8.159 1.571 1.00 0.00 C ATOM 182 C THR A 13 4.835 -8.536 1.434 1.00 0.00 C ATOM 183 O THR A 13 4.122 -7.978 0.601 1.00 0.00 O ATOM 184 CB THR A 13 6.655 -7.531 2.923 1.00 0.00 C ATOM 185 OG1 THR A 13 6.330 -6.153 2.758 1.00 0.00 O ATOM 186 CG2 THR A 13 8.159 -7.528 3.202 1.00 0.00 C ATOM 0 H THR A 13 6.047 -6.439 0.402 1.00 0.00 H new ATOM 0 HA THR A 13 6.863 -9.095 1.481 1.00 0.00 H new ATOM 0 HB THR A 13 6.140 -8.073 3.716 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.438 -5.981 3.126 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.348 -7.072 4.174 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.531 -8.553 3.204 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.672 -6.958 2.427 1.00 0.00 H new ATOM 194 N THR A 14 4.420 -9.481 2.265 1.00 0.00 N ATOM 195 CA THR A 14 3.041 -9.940 2.247 1.00 0.00 C ATOM 196 C THR A 14 2.542 -10.185 3.672 1.00 0.00 C ATOM 197 O THR A 14 3.339 -10.385 4.587 1.00 0.00 O ATOM 198 CB THR A 14 2.967 -11.182 1.356 1.00 0.00 C ATOM 199 OG1 THR A 14 4.190 -11.868 1.614 1.00 0.00 O ATOM 200 CG2 THR A 14 3.040 -10.839 -0.133 1.00 0.00 C ATOM 0 H THR A 14 5.014 -9.941 2.955 1.00 0.00 H new ATOM 0 HA THR A 14 2.378 -9.182 1.829 1.00 0.00 H new ATOM 0 HB THR A 14 2.041 -11.720 1.560 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.225 -12.688 1.078 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.983 -11.755 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.208 -10.186 -0.397 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.981 -10.331 -0.344 1.00 0.00 H new ATOM 208 N LYS A 15 1.225 -10.160 3.816 1.00 0.00 N ATOM 209 CA LYS A 15 0.610 -10.377 5.115 1.00 0.00 C ATOM 210 C LYS A 15 -0.757 -11.035 4.923 1.00 0.00 C ATOM 211 O LYS A 15 -1.431 -10.796 3.922 1.00 0.00 O ATOM 212 CB LYS A 15 0.558 -9.070 5.908 1.00 0.00 C ATOM 213 CG LYS A 15 1.874 -8.823 6.647 1.00 0.00 C ATOM 214 CD LYS A 15 1.668 -7.883 7.836 1.00 0.00 C ATOM 215 CE LYS A 15 0.640 -6.799 7.506 1.00 0.00 C ATOM 216 NZ LYS A 15 0.823 -5.625 8.389 1.00 0.00 N ATOM 0 H LYS A 15 0.567 -9.993 3.055 1.00 0.00 H new ATOM 0 HA LYS A 15 1.212 -11.061 5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.355 -8.239 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.263 -9.107 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.283 -9.771 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.605 -8.393 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.334 -8.454 8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.617 -7.419 8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.743 -6.497 6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.368 -7.197 7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.117 -4.899 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.702 -5.914 9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.778 -5.236 8.256 1.00 0.00 H new ATOM 230 N THR A 16 -1.127 -11.852 5.899 1.00 0.00 N ATOM 231 CA THR A 16 -2.403 -12.546 5.851 1.00 0.00 C ATOM 232 C THR A 16 -3.540 -11.601 6.240 1.00 0.00 C ATOM 233 O THR A 16 -3.427 -10.855 7.212 1.00 0.00 O ATOM 234 CB THR A 16 -2.303 -13.780 6.750 1.00 0.00 C ATOM 235 OG1 THR A 16 -1.014 -14.315 6.464 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.268 -14.891 6.329 1.00 0.00 C ATOM 0 H THR A 16 -0.565 -12.049 6.727 1.00 0.00 H new ATOM 0 HA THR A 16 -2.634 -12.880 4.839 1.00 0.00 H new ATOM 0 HB THR A 16 -2.506 -13.494 7.782 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.865 -15.118 7.006 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.156 -15.743 6.999 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.292 -14.522 6.379 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.043 -15.201 5.308 1.00 0.00 H new ATOM 244 N CYS A 17 -4.611 -11.662 5.462 1.00 0.00 N ATOM 245 CA CYS A 17 -5.768 -10.820 5.714 1.00 0.00 C ATOM 246 C CYS A 17 -6.703 -11.563 6.670 1.00 0.00 C ATOM 247 O CYS A 17 -7.150 -12.669 6.373 1.00 0.00 O ATOM 248 CB CYS A 17 -6.475 -10.427 4.415 1.00 0.00 C ATOM 249 SG CYS A 17 -5.356 -10.027 3.023 1.00 0.00 S ATOM 0 H CYS A 17 -4.702 -12.282 4.657 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.448 -9.885 6.174 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.130 -11.244 4.113 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.111 -9.564 4.611 1.00 0.00 H new ATOM 254 N SER A 18 -6.972 -10.924 7.800 1.00 0.00 N ATOM 255 CA SER A 18 -7.846 -11.510 8.801 1.00 0.00 C ATOM 256 C SER A 18 -9.229 -10.859 8.735 1.00 0.00 C ATOM 257 O SER A 18 -9.368 -9.662 8.980 1.00 0.00 O ATOM 258 CB SER A 18 -7.255 -11.358 10.205 1.00 0.00 C ATOM 259 OG SER A 18 -6.795 -10.032 10.450 1.00 0.00 O ATOM 0 H SER A 18 -6.600 -10.006 8.044 1.00 0.00 H new ATOM 0 HA SER A 18 -7.942 -12.575 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.009 -11.623 10.946 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.428 -12.057 10.328 1.00 0.00 H new ATOM 0 HG SER A 18 -7.449 -9.390 10.104 1.00 0.00 H new ATOM 265 N GLY A 19 -10.217 -11.676 8.401 1.00 0.00 N ATOM 266 CA GLY A 19 -11.584 -11.195 8.299 1.00 0.00 C ATOM 267 C GLY A 19 -11.800 -10.429 6.992 1.00 0.00 C ATOM 268 O GLY A 19 -12.934 -10.120 6.630 1.00 0.00 O ATOM 0 H GLY A 19 -10.098 -12.668 8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.274 -12.037 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.809 -10.547 9.146 1.00 0.00 H new ATOM 272 N GLU A 20 -10.693 -10.145 6.321 1.00 0.00 N ATOM 273 CA GLU A 20 -10.747 -9.421 5.062 1.00 0.00 C ATOM 274 C GLU A 20 -10.536 -10.380 3.889 1.00 0.00 C ATOM 275 O GLU A 20 -9.939 -11.443 4.051 1.00 0.00 O ATOM 276 CB GLU A 20 -9.718 -8.289 5.036 1.00 0.00 C ATOM 277 CG GLU A 20 -9.645 -7.584 6.392 1.00 0.00 C ATOM 278 CD GLU A 20 -8.425 -6.663 6.466 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.300 -7.203 6.388 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.645 -5.440 6.599 1.00 0.00 O ATOM 0 H GLU A 20 -9.754 -10.403 6.625 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.735 -8.972 4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.738 -8.689 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.983 -7.569 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.553 -7.004 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.594 -8.326 7.189 1.00 0.00 H new ATOM 287 N THR A 21 -11.038 -9.970 2.733 1.00 0.00 N ATOM 288 CA THR A 21 -10.912 -10.780 1.533 1.00 0.00 C ATOM 289 C THR A 21 -10.492 -9.912 0.346 1.00 0.00 C ATOM 290 O THR A 21 -10.606 -10.330 -0.805 1.00 0.00 O ATOM 291 CB THR A 21 -12.239 -11.509 1.314 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.228 -10.527 1.612 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.482 -12.609 2.349 1.00 0.00 C ATOM 0 H THR A 21 -11.533 -9.088 2.602 1.00 0.00 H new ATOM 0 HA THR A 21 -10.127 -11.529 1.641 1.00 0.00 H new ATOM 0 HB THR A 21 -12.253 -11.943 0.314 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.120 -10.915 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.437 -13.094 2.147 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.681 -13.346 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.501 -12.172 3.347 1.00 0.00 H new ATOM 301 N ASN A 22 -10.014 -8.718 0.666 1.00 0.00 N ATOM 302 CA ASN A 22 -9.576 -7.787 -0.360 1.00 0.00 C ATOM 303 C ASN A 22 -8.239 -7.170 0.055 1.00 0.00 C ATOM 304 O ASN A 22 -7.925 -7.099 1.242 1.00 0.00 O ATOM 305 CB ASN A 22 -10.585 -6.651 -0.540 1.00 0.00 C ATOM 306 CG ASN A 22 -11.951 -7.194 -0.967 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.279 -7.270 -2.139 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.727 -7.565 0.048 1.00 0.00 N ATOM 0 H ASN A 22 -9.921 -8.374 1.622 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.481 -8.337 -1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.685 -6.097 0.394 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.218 -5.949 -1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.658 -7.940 -0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.391 -7.475 1.007 1.00 0.00 H new ATOM 315 N CYS A 23 -7.487 -6.739 -0.947 1.00 0.00 N ATOM 316 CA CYS A 23 -6.190 -6.131 -0.702 1.00 0.00 C ATOM 317 C CYS A 23 -6.243 -4.679 -1.182 1.00 0.00 C ATOM 318 O CYS A 23 -6.795 -4.392 -2.243 1.00 0.00 O ATOM 319 CB CYS A 23 -5.061 -6.914 -1.374 1.00 0.00 C ATOM 320 SG CYS A 23 -5.031 -8.702 -0.987 1.00 0.00 S ATOM 0 H CYS A 23 -7.751 -6.799 -1.930 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.971 -6.153 0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.146 -6.792 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.108 -6.476 -1.077 1.00 0.00 H new ATOM 325 N TYR A 24 -5.660 -3.802 -0.378 1.00 0.00 N ATOM 326 CA TYR A 24 -5.633 -2.387 -0.708 1.00 0.00 C ATOM 327 C TYR A 24 -4.197 -1.896 -0.903 1.00 0.00 C ATOM 328 O TYR A 24 -3.263 -2.456 -0.330 1.00 0.00 O ATOM 329 CB TYR A 24 -6.248 -1.663 0.491 1.00 0.00 C ATOM 330 CG TYR A 24 -5.314 -1.552 1.698 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.400 -0.520 1.771 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.385 -2.484 2.713 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.521 -0.416 2.906 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.506 -2.380 3.849 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.617 -1.351 3.889 1.00 0.00 C ATOM 336 OH TYR A 24 -2.786 -1.253 4.962 1.00 0.00 O ATOM 0 H TYR A 24 -5.203 -4.044 0.501 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.176 -2.199 -1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.547 -0.661 0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.154 -2.188 0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.345 0.209 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.100 -3.292 2.656 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.801 0.386 2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.552 -3.102 4.651 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.116 -1.827 5.685 1.00 0.00 H new ATOM 346 N LYS A 25 -4.066 -0.856 -1.713 1.00 0.00 N ATOM 347 CA LYS A 25 -2.759 -0.284 -1.990 1.00 0.00 C ATOM 348 C LYS A 25 -2.869 1.242 -2.008 1.00 0.00 C ATOM 349 O LYS A 25 -3.599 1.806 -2.822 1.00 0.00 O ATOM 350 CB LYS A 25 -2.179 -0.874 -3.277 1.00 0.00 C ATOM 351 CG LYS A 25 -0.940 -0.096 -3.727 1.00 0.00 C ATOM 352 CD LYS A 25 -0.793 -0.131 -5.249 1.00 0.00 C ATOM 353 CE LYS A 25 -0.992 -1.550 -5.786 1.00 0.00 C ATOM 354 NZ LYS A 25 -2.419 -1.792 -6.097 1.00 0.00 N ATOM 0 H LYS A 25 -4.843 -0.395 -2.186 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.053 -0.544 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.918 -1.920 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.933 -0.851 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.013 0.938 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.051 -0.521 -3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.522 0.540 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.195 0.233 -5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.389 -1.694 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.646 -2.276 -5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.493 -2.366 -6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.866 -2.298 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.902 -0.882 -6.243 1.00 0.00 H new ATOM 368 N LYS A 26 -2.133 1.867 -1.101 1.00 0.00 N ATOM 369 CA LYS A 26 -2.138 3.317 -1.002 1.00 0.00 C ATOM 370 C LYS A 26 -0.794 3.862 -1.489 1.00 0.00 C ATOM 371 O LYS A 26 0.250 3.263 -1.238 1.00 0.00 O ATOM 372 CB LYS A 26 -2.502 3.755 0.418 1.00 0.00 C ATOM 373 CG LYS A 26 -3.793 3.081 0.887 1.00 0.00 C ATOM 374 CD LYS A 26 -3.924 3.147 2.410 1.00 0.00 C ATOM 375 CE LYS A 26 -3.237 4.397 2.966 1.00 0.00 C ATOM 376 NZ LYS A 26 -3.743 5.611 2.287 1.00 0.00 N ATOM 0 H LYS A 26 -1.529 1.396 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.907 3.741 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.689 3.504 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.621 4.838 0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.651 3.568 0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.803 2.041 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.978 3.153 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.482 2.256 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.417 4.471 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.159 4.319 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.963 6.287 2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.134 5.352 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.488 6.048 2.867 1.00 0.00 H new ATOM 390 N TRP A 27 -0.865 4.991 -2.178 1.00 0.00 N ATOM 391 CA TRP A 27 0.333 5.624 -2.702 1.00 0.00 C ATOM 392 C TRP A 27 0.007 7.091 -2.988 1.00 0.00 C ATOM 393 O TRP A 27 -1.101 7.412 -3.415 1.00 0.00 O ATOM 394 CB TRP A 27 0.854 4.877 -3.932 1.00 0.00 C ATOM 395 CG TRP A 27 -0.015 5.048 -5.179 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.133 5.936 -6.172 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.180 4.272 -5.529 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.848 5.789 -7.132 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.671 4.745 -6.728 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.798 3.204 -4.854 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.802 4.211 -7.357 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.927 2.682 -5.495 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.435 3.147 -6.703 1.00 0.00 C ATOM 0 H TRP A 27 -1.734 5.484 -2.386 1.00 0.00 H new ATOM 0 HA TRP A 27 1.141 5.583 -1.972 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.863 5.224 -4.155 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.927 3.815 -3.696 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.921 6.674 -6.216 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.950 6.344 -7.981 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.430 2.817 -3.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.167 4.599 -8.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.440 1.860 -5.018 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.313 2.690 -7.135 1.00 0.00 H new ATOM 414 N TRP A 28 0.992 7.942 -2.742 1.00 0.00 N ATOM 415 CA TRP A 28 0.823 9.368 -2.967 1.00 0.00 C ATOM 416 C TRP A 28 2.214 9.996 -3.083 1.00 0.00 C ATOM 417 O TRP A 28 3.220 9.338 -2.821 1.00 0.00 O ATOM 418 CB TRP A 28 -0.029 10.000 -1.865 1.00 0.00 C ATOM 419 CG TRP A 28 0.605 9.935 -0.474 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.267 10.902 0.177 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.610 8.800 0.416 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.696 10.474 1.417 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.283 9.155 1.567 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.062 7.515 0.255 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.473 8.282 2.645 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.260 6.654 1.341 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.936 6.997 2.507 1.00 0.00 C ATOM 0 H TRP A 28 1.910 7.672 -2.389 1.00 0.00 H new ATOM 0 HA TRP A 28 0.280 9.551 -3.894 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.217 11.043 -2.119 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.997 9.499 -1.836 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.443 11.891 -0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.220 11.024 2.098 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.470 7.216 -0.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.005 8.584 3.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.140 5.654 1.268 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.046 6.275 3.303 1.00 0.00 H new ATOM 438 N SER A 29 2.226 11.261 -3.476 1.00 0.00 N ATOM 439 CA SER A 29 3.476 11.985 -3.629 1.00 0.00 C ATOM 440 C SER A 29 3.664 12.957 -2.463 1.00 0.00 C ATOM 441 O SER A 29 2.689 13.423 -1.875 1.00 0.00 O ATOM 442 CB SER A 29 3.516 12.739 -4.960 1.00 0.00 C ATOM 443 OG SER A 29 2.832 13.986 -4.888 1.00 0.00 O ATOM 0 H SER A 29 1.390 11.803 -3.693 1.00 0.00 H new ATOM 0 HA SER A 29 4.292 11.263 -3.627 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.553 12.911 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.066 12.123 -5.739 1.00 0.00 H new ATOM 0 HG SER A 29 2.882 14.437 -5.757 1.00 0.00 H new ATOM 449 N ASP A 30 4.925 13.235 -2.163 1.00 0.00 N ATOM 450 CA ASP A 30 5.253 14.143 -1.078 1.00 0.00 C ATOM 451 C ASP A 30 6.517 14.926 -1.439 1.00 0.00 C ATOM 452 O ASP A 30 7.218 14.578 -2.388 1.00 0.00 O ATOM 453 CB ASP A 30 5.525 13.377 0.218 1.00 0.00 C ATOM 454 CG ASP A 30 4.389 12.462 0.679 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.975 11.614 -0.141 1.00 0.00 O ATOM 456 OD2 ASP A 30 3.961 12.630 1.841 1.00 0.00 O ATOM 0 H ASP A 30 5.731 12.847 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 30 4.405 14.812 -0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.424 12.776 0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.736 14.096 1.010 1.00 0.00 H new ATOM 461 N HIS A 31 6.770 15.970 -0.662 1.00 0.00 N ATOM 462 CA HIS A 31 7.938 16.805 -0.888 1.00 0.00 C ATOM 463 C HIS A 31 9.207 16.003 -0.593 1.00 0.00 C ATOM 464 O HIS A 31 10.311 16.442 -0.912 1.00 0.00 O ATOM 465 CB HIS A 31 7.849 18.095 -0.071 1.00 0.00 C ATOM 466 CG HIS A 31 6.637 18.940 -0.387 1.00 0.00 C ATOM 467 ND1 HIS A 31 5.717 19.319 0.574 1.00 0.00 N ATOM 468 CD2 HIS A 31 6.206 19.474 -1.565 1.00 0.00 C ATOM 469 CE1 HIS A 31 4.777 20.048 -0.011 1.00 0.00 C ATOM 470 NE2 HIS A 31 5.082 20.143 -1.337 1.00 0.00 N ATOM 0 H HIS A 31 6.186 16.256 0.124 1.00 0.00 H new ATOM 0 HA HIS A 31 7.976 17.108 -1.934 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.836 17.841 0.989 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.747 18.687 -0.246 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.696 19.370 -2.522 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.920 20.489 0.477 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.537 20.645 -2.038 1.00 0.00 H new ATOM 479 N ARG A 32 9.008 14.841 0.012 1.00 0.00 N ATOM 480 CA ARG A 32 10.122 13.974 0.353 1.00 0.00 C ATOM 481 C ARG A 32 10.225 12.822 -0.648 1.00 0.00 C ATOM 482 O ARG A 32 11.310 12.294 -0.884 1.00 0.00 O ATOM 483 CB ARG A 32 9.964 13.403 1.763 1.00 0.00 C ATOM 484 CG ARG A 32 10.038 14.511 2.816 1.00 0.00 C ATOM 485 CD ARG A 32 8.665 15.149 3.037 1.00 0.00 C ATOM 486 NE ARG A 32 8.744 16.160 4.115 1.00 0.00 N ATOM 487 CZ ARG A 32 7.709 16.908 4.521 1.00 0.00 C ATOM 488 NH1 ARG A 32 6.510 16.763 3.942 1.00 0.00 N ATOM 489 NH2 ARG A 32 7.874 17.800 5.507 1.00 0.00 N ATOM 0 H ARG A 32 8.091 14.480 0.275 1.00 0.00 H new ATOM 0 HA ARG A 32 11.031 14.574 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.009 12.883 1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.745 12.666 1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.408 14.101 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.750 15.273 2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.319 15.615 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.936 14.382 3.299 1.00 0.00 H new ATOM 0 HE ARG A 32 9.643 16.296 4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.385 16.083 3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.722 17.332 4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.787 17.909 5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.087 18.370 5.816 1.00 0.00 H new ATOM 503 N GLY A 33 9.079 12.466 -1.211 1.00 0.00 N ATOM 504 CA GLY A 33 9.026 11.387 -2.182 1.00 0.00 C ATOM 505 C GLY A 33 7.631 10.761 -2.231 1.00 0.00 C ATOM 506 O GLY A 33 6.708 11.242 -1.575 1.00 0.00 O ATOM 0 H GLY A 33 8.180 12.906 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.293 11.767 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.762 10.625 -1.925 1.00 0.00 H new ATOM 510 N THR A 34 7.520 9.699 -3.015 1.00 0.00 N ATOM 511 CA THR A 34 6.253 9.003 -3.159 1.00 0.00 C ATOM 512 C THR A 34 6.090 7.958 -2.053 1.00 0.00 C ATOM 513 O THR A 34 6.852 6.995 -1.988 1.00 0.00 O ATOM 514 CB THR A 34 6.195 8.411 -4.568 1.00 0.00 C ATOM 515 OG1 THR A 34 5.917 9.531 -5.404 1.00 0.00 O ATOM 516 CG2 THR A 34 4.991 7.489 -4.767 1.00 0.00 C ATOM 0 H THR A 34 8.288 9.303 -3.558 1.00 0.00 H new ATOM 0 HA THR A 34 5.412 9.686 -3.044 1.00 0.00 H new ATOM 0 HB THR A 34 7.112 7.857 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.864 9.237 -6.337 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.998 7.096 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.044 6.663 -4.058 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.072 8.050 -4.601 1.00 0.00 H new ATOM 524 N ILE A 35 5.092 8.184 -1.212 1.00 0.00 N ATOM 525 CA ILE A 35 4.819 7.273 -0.113 1.00 0.00 C ATOM 526 C ILE A 35 3.822 6.209 -0.573 1.00 0.00 C ATOM 527 O ILE A 35 2.844 6.521 -1.250 1.00 0.00 O ATOM 528 CB ILE A 35 4.364 8.049 1.125 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.417 9.076 1.547 1.00 0.00 C ATOM 530 CG2 ILE A 35 4.002 7.097 2.267 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.079 9.678 2.912 1.00 0.00 C ATOM 0 H ILE A 35 4.462 8.984 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 35 5.728 6.750 0.183 1.00 0.00 H new ATOM 0 HB ILE A 35 3.460 8.602 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.397 8.601 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.477 9.868 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.682 7.674 3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.192 6.440 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.873 6.498 2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.843 10.405 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.109 10.173 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.044 8.886 3.660 1.00 0.00 H new ATOM 543 N ILE A 36 4.103 4.973 -0.187 1.00 0.00 N ATOM 544 CA ILE A 36 3.243 3.860 -0.551 1.00 0.00 C ATOM 545 C ILE A 36 2.962 3.011 0.690 1.00 0.00 C ATOM 546 O ILE A 36 3.887 2.614 1.397 1.00 0.00 O ATOM 547 CB ILE A 36 3.851 3.071 -1.713 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.485 4.010 -2.741 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.813 2.143 -2.347 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.140 3.218 -3.875 1.00 0.00 C ATOM 0 H ILE A 36 4.915 4.718 0.375 1.00 0.00 H new ATOM 0 HA ILE A 36 2.281 4.224 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 36 4.648 2.441 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.724 4.675 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.230 4.639 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.270 1.594 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.449 1.439 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.979 2.734 -2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.583 3.909 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.917 2.572 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.387 2.609 -4.375 1.00 0.00 H new ATOM 562 N GLU A 37 1.681 2.756 0.916 1.00 0.00 N ATOM 563 CA GLU A 37 1.267 1.961 2.059 1.00 0.00 C ATOM 564 C GLU A 37 0.246 0.905 1.629 1.00 0.00 C ATOM 565 O GLU A 37 -0.861 1.242 1.210 1.00 0.00 O ATOM 566 CB GLU A 37 0.703 2.849 3.170 1.00 0.00 C ATOM 567 CG GLU A 37 -0.240 2.058 4.078 1.00 0.00 C ATOM 568 CD GLU A 37 -0.609 2.868 5.323 1.00 0.00 C ATOM 569 OE1 GLU A 37 -0.691 4.108 5.190 1.00 0.00 O ATOM 570 OE2 GLU A 37 -0.801 2.228 6.380 1.00 0.00 O ATOM 0 H GLU A 37 0.917 3.086 0.327 1.00 0.00 H new ATOM 0 HA GLU A 37 2.143 1.450 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.521 3.262 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.169 3.692 2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.144 1.796 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.235 1.123 4.375 1.00 0.00 H new ATOM 577 N ARG A 38 0.654 -0.350 1.748 1.00 0.00 N ATOM 578 CA ARG A 38 -0.212 -1.456 1.377 1.00 0.00 C ATOM 579 C ARG A 38 -0.552 -2.300 2.608 1.00 0.00 C ATOM 580 O ARG A 38 0.145 -2.237 3.619 1.00 0.00 O ATOM 581 CB ARG A 38 0.452 -2.346 0.325 1.00 0.00 C ATOM 582 CG ARG A 38 1.068 -1.505 -0.795 1.00 0.00 C ATOM 583 CD ARG A 38 1.971 -2.358 -1.689 1.00 0.00 C ATOM 584 NE ARG A 38 1.954 -1.834 -3.072 1.00 0.00 N ATOM 585 CZ ARG A 38 2.963 -1.150 -3.629 1.00 0.00 C ATOM 586 NH1 ARG A 38 4.075 -0.904 -2.923 1.00 0.00 N ATOM 587 NH2 ARG A 38 2.860 -0.713 -4.891 1.00 0.00 N ATOM 0 H ARG A 38 1.572 -0.625 2.096 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.126 -1.035 0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.225 -2.955 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.285 -3.032 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.276 -1.056 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.645 -0.687 -0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.990 -2.352 -1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.632 -3.394 -1.680 1.00 0.00 H new ATOM 0 HE ARG A 38 1.122 -2.004 -3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.153 -1.237 -1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.843 -0.383 -3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.014 -0.901 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.628 -0.192 -5.315 1.00 0.00 H new ATOM 601 N GLY A 39 -1.623 -3.069 2.481 1.00 0.00 N ATOM 602 CA GLY A 39 -2.063 -3.924 3.570 1.00 0.00 C ATOM 603 C GLY A 39 -3.293 -4.739 3.164 1.00 0.00 C ATOM 604 O GLY A 39 -3.748 -4.657 2.024 1.00 0.00 O ATOM 0 H GLY A 39 -2.199 -3.118 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.255 -4.597 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.298 -3.315 4.443 1.00 0.00 H new ATOM 608 N CYS A 40 -3.796 -5.508 4.119 1.00 0.00 N ATOM 609 CA CYS A 40 -4.964 -6.337 3.875 1.00 0.00 C ATOM 610 C CYS A 40 -6.214 -5.492 4.126 1.00 0.00 C ATOM 611 O CYS A 40 -6.185 -4.554 4.922 1.00 0.00 O ATOM 612 CB CYS A 40 -4.949 -7.602 4.735 1.00 0.00 C ATOM 613 SG CYS A 40 -3.894 -8.953 4.094 1.00 0.00 S ATOM 0 H CYS A 40 -3.416 -5.574 5.063 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.960 -6.680 2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.610 -7.339 5.737 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.970 -7.971 4.831 1.00 0.00 H new ATOM 618 N GLY A 41 -7.283 -5.853 3.432 1.00 0.00 N ATOM 619 CA GLY A 41 -8.541 -5.139 3.569 1.00 0.00 C ATOM 620 C GLY A 41 -8.691 -4.078 2.477 1.00 0.00 C ATOM 621 O GLY A 41 -7.928 -4.062 1.513 1.00 0.00 O ATOM 0 H GLY A 41 -7.304 -6.631 2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.371 -5.843 3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.590 -4.666 4.550 1.00 0.00 H new ATOM 625 N CYS A 42 -9.681 -3.217 2.666 1.00 0.00 N ATOM 626 CA CYS A 42 -9.941 -2.155 1.709 1.00 0.00 C ATOM 627 C CYS A 42 -10.416 -0.921 2.479 1.00 0.00 C ATOM 628 O CYS A 42 -11.600 -0.589 2.457 1.00 0.00 O ATOM 629 CB CYS A 42 -10.952 -2.587 0.645 1.00 0.00 C ATOM 630 SG CYS A 42 -11.456 -1.266 -0.516 1.00 0.00 S ATOM 0 H CYS A 42 -10.312 -3.233 3.467 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.025 -1.916 1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.526 -3.411 0.073 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.841 -2.972 1.144 1.00 0.00 H new ATOM 635 N PRO A 43 -9.467 -0.275 3.141 1.00 0.00 N ATOM 636 CA PRO A 43 -9.697 0.929 3.942 1.00 0.00 C ATOM 637 C PRO A 43 -10.028 2.124 3.046 1.00 0.00 C ATOM 638 O PRO A 43 -10.079 1.992 1.825 1.00 0.00 O ATOM 639 CB PRO A 43 -8.360 1.139 4.657 1.00 0.00 C ATOM 640 CG PRO A 43 -7.358 0.519 3.727 1.00 0.00 C ATOM 641 CD PRO A 43 -8.060 -0.682 3.158 1.00 0.00 C ATOM 0 HA PRO A 43 -10.537 0.830 4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.155 2.197 4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.349 0.658 5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.063 1.215 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.450 0.233 4.257 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.699 -0.922 2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.905 -1.568 3.774 1.00 0.00 H new ATOM 649 N LYS A 44 -10.246 3.263 3.688 1.00 0.00 N ATOM 650 CA LYS A 44 -10.572 4.479 2.963 1.00 0.00 C ATOM 651 C LYS A 44 -9.429 5.484 3.124 1.00 0.00 C ATOM 652 O LYS A 44 -8.852 5.606 4.203 1.00 0.00 O ATOM 653 CB LYS A 44 -11.933 5.019 3.407 1.00 0.00 C ATOM 654 CG LYS A 44 -12.378 6.182 2.517 1.00 0.00 C ATOM 655 CD LYS A 44 -12.917 5.674 1.179 1.00 0.00 C ATOM 656 CE LYS A 44 -14.339 5.129 1.332 1.00 0.00 C ATOM 657 NZ LYS A 44 -14.309 3.723 1.793 1.00 0.00 N ATOM 0 H LYS A 44 -10.203 3.369 4.702 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.669 4.273 1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.675 4.222 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.876 5.351 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.148 6.761 3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.537 6.854 2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.911 6.484 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.263 4.892 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.894 5.740 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.864 5.194 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.031 3.175 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.370 3.317 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.505 3.688 2.814 1.00 0.00 H new ATOM 671 N VAL A 45 -9.138 6.180 2.034 1.00 0.00 N ATOM 672 CA VAL A 45 -8.075 7.170 2.041 1.00 0.00 C ATOM 673 C VAL A 45 -8.678 8.560 1.825 1.00 0.00 C ATOM 674 O VAL A 45 -9.816 8.684 1.375 1.00 0.00 O ATOM 675 CB VAL A 45 -7.016 6.809 0.997 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.519 5.376 1.194 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.552 7.014 -0.421 1.00 0.00 C ATOM 0 H VAL A 45 -9.620 6.078 1.141 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.569 7.181 3.007 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.168 7.479 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.767 5.145 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.079 5.277 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.356 4.684 1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.780 6.750 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.425 6.380 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.834 8.058 -0.556 1.00 0.00 H new ATOM 687 N LYS A 46 -7.888 9.571 2.155 1.00 0.00 N ATOM 688 CA LYS A 46 -8.329 10.947 2.003 1.00 0.00 C ATOM 689 C LYS A 46 -8.027 11.420 0.579 1.00 0.00 C ATOM 690 O LYS A 46 -7.331 10.738 -0.171 1.00 0.00 O ATOM 691 CB LYS A 46 -7.713 11.831 3.088 1.00 0.00 C ATOM 692 CG LYS A 46 -7.660 11.096 4.430 1.00 0.00 C ATOM 693 CD LYS A 46 -7.665 12.085 5.597 1.00 0.00 C ATOM 694 CE LYS A 46 -6.239 12.494 5.974 1.00 0.00 C ATOM 695 NZ LYS A 46 -6.214 13.101 7.323 1.00 0.00 N ATOM 0 H LYS A 46 -6.944 9.465 2.527 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.408 11.019 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.707 12.128 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.298 12.745 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.514 10.424 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.763 10.479 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.242 12.970 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.158 11.634 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.586 11.622 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.852 13.203 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.239 13.373 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.822 13.945 7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.563 12.413 8.020 1.00 0.00 H new ATOM 709 N PRO A 47 -8.566 12.585 0.250 1.00 0.00 N ATOM 710 CA PRO A 47 -8.410 13.228 -1.056 1.00 0.00 C ATOM 711 C PRO A 47 -6.926 13.469 -1.342 1.00 0.00 C ATOM 712 O PRO A 47 -6.194 13.949 -0.477 1.00 0.00 O ATOM 713 CB PRO A 47 -9.132 14.567 -0.889 1.00 0.00 C ATOM 714 CG PRO A 47 -10.121 14.305 0.209 1.00 0.00 C ATOM 715 CD PRO A 47 -9.394 13.389 1.152 1.00 0.00 C ATOM 0 HA PRO A 47 -8.805 12.630 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.439 15.365 -0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.628 14.872 -1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.420 15.229 0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.029 13.841 -0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.789 13.944 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.083 12.771 1.727 1.00 0.00 H new ATOM 723 N GLY A 48 -6.526 13.126 -2.557 1.00 0.00 N ATOM 724 CA GLY A 48 -5.143 13.300 -2.967 1.00 0.00 C ATOM 725 C GLY A 48 -4.391 11.967 -2.940 1.00 0.00 C ATOM 726 O GLY A 48 -3.528 11.720 -3.781 1.00 0.00 O ATOM 0 H GLY A 48 -7.136 12.728 -3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.108 13.721 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.651 14.013 -2.305 1.00 0.00 H new ATOM 730 N VAL A 49 -4.747 11.144 -1.964 1.00 0.00 N ATOM 731 CA VAL A 49 -4.117 9.843 -1.817 1.00 0.00 C ATOM 732 C VAL A 49 -4.772 8.852 -2.780 1.00 0.00 C ATOM 733 O VAL A 49 -5.970 8.938 -3.046 1.00 0.00 O ATOM 734 CB VAL A 49 -4.186 9.391 -0.356 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.131 8.322 -0.063 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.039 10.582 0.593 1.00 0.00 C ATOM 0 H VAL A 49 -5.463 11.353 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.060 9.899 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.167 8.948 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.201 8.018 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.301 7.457 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.138 8.728 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.091 10.234 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.078 11.067 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.843 11.295 0.409 1.00 0.00 H new ATOM 746 N ASN A 50 -3.958 7.933 -3.278 1.00 0.00 N ATOM 747 CA ASN A 50 -4.443 6.926 -4.207 1.00 0.00 C ATOM 748 C ASN A 50 -4.680 5.616 -3.453 1.00 0.00 C ATOM 749 O ASN A 50 -3.919 5.267 -2.552 1.00 0.00 O ATOM 750 CB ASN A 50 -3.420 6.658 -5.312 1.00 0.00 C ATOM 751 CG ASN A 50 -3.445 7.769 -6.363 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.285 7.805 -7.247 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.478 8.672 -6.219 1.00 0.00 N ATOM 0 H ASN A 50 -2.965 7.864 -3.056 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.367 7.295 -4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.422 6.585 -4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.633 5.700 -5.785 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.408 9.453 -6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.806 8.583 -5.456 1.00 0.00 H new ATOM 760 N LEU A 51 -5.738 4.925 -3.851 1.00 0.00 N ATOM 761 CA LEU A 51 -6.084 3.660 -3.225 1.00 0.00 C ATOM 762 C LEU A 51 -6.592 2.689 -4.293 1.00 0.00 C ATOM 763 O LEU A 51 -7.310 3.088 -5.208 1.00 0.00 O ATOM 764 CB LEU A 51 -7.072 3.883 -2.077 1.00 0.00 C ATOM 765 CG LEU A 51 -7.663 2.621 -1.446 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.557 1.684 -0.955 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.650 2.976 -0.333 1.00 0.00 C ATOM 0 H LEU A 51 -6.367 5.217 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.203 3.205 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.569 4.454 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.892 4.500 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.222 2.085 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.004 0.795 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.927 1.392 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.951 2.197 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.056 2.061 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.136 3.546 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.463 3.574 -0.745 1.00 0.00 H new ATOM 779 N ASN A 52 -6.199 1.433 -4.140 1.00 0.00 N ATOM 780 CA ASN A 52 -6.605 0.402 -5.080 1.00 0.00 C ATOM 781 C ASN A 52 -6.962 -0.871 -4.311 1.00 0.00 C ATOM 782 O ASN A 52 -6.115 -1.446 -3.628 1.00 0.00 O ATOM 783 CB ASN A 52 -5.473 0.066 -6.052 1.00 0.00 C ATOM 784 CG ASN A 52 -5.670 -1.322 -6.665 1.00 0.00 C ATOM 785 OD1 ASN A 52 -5.247 -2.332 -6.127 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.334 -1.315 -7.817 1.00 0.00 N ATOM 0 H ASN A 52 -5.604 1.106 -3.379 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.462 0.775 -5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.434 0.815 -6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.517 0.104 -5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.517 -2.192 -8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.660 -0.433 -8.212 1.00 0.00 H new ATOM 793 N CYS A 53 -8.216 -1.275 -4.447 1.00 0.00 N ATOM 794 CA CYS A 53 -8.695 -2.470 -3.773 1.00 0.00 C ATOM 795 C CYS A 53 -8.956 -3.546 -4.830 1.00 0.00 C ATOM 796 O CYS A 53 -9.399 -3.240 -5.936 1.00 0.00 O ATOM 797 CB CYS A 53 -9.940 -2.184 -2.931 1.00 0.00 C ATOM 798 SG CYS A 53 -9.719 -0.900 -1.646 1.00 0.00 S ATOM 0 H CYS A 53 -8.915 -0.796 -5.014 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.937 -2.824 -3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.748 -1.878 -3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.256 -3.109 -2.449 1.00 0.00 H new ATOM 803 N CYS A 54 -8.669 -4.783 -4.452 1.00 0.00 N ATOM 804 CA CYS A 54 -8.867 -5.905 -5.353 1.00 0.00 C ATOM 805 C CYS A 54 -9.141 -7.154 -4.513 1.00 0.00 C ATOM 806 O CYS A 54 -8.895 -7.161 -3.307 1.00 0.00 O ATOM 807 CB CYS A 54 -7.671 -6.098 -6.288 1.00 0.00 C ATOM 808 SG CYS A 54 -6.041 -5.758 -5.528 1.00 0.00 S ATOM 0 H CYS A 54 -8.301 -5.033 -3.534 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.722 -5.708 -5.999 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.678 -7.124 -6.657 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.796 -5.447 -7.154 1.00 0.00 H new ATOM 813 N ARG A 55 -9.648 -8.179 -5.182 1.00 0.00 N ATOM 814 CA ARG A 55 -9.958 -9.430 -4.511 1.00 0.00 C ATOM 815 C ARG A 55 -9.008 -10.534 -4.981 1.00 0.00 C ATOM 816 O ARG A 55 -9.443 -11.644 -5.284 1.00 0.00 O ATOM 817 CB ARG A 55 -11.401 -9.858 -4.785 1.00 0.00 C ATOM 818 CG ARG A 55 -12.392 -8.831 -4.234 1.00 0.00 C ATOM 819 CD ARG A 55 -13.666 -8.789 -5.080 1.00 0.00 C ATOM 820 NE ARG A 55 -13.320 -8.609 -6.508 1.00 0.00 N ATOM 821 CZ ARG A 55 -14.201 -8.708 -7.512 1.00 0.00 C ATOM 822 NH1 ARG A 55 -15.486 -8.987 -7.252 1.00 0.00 N ATOM 823 NH2 ARG A 55 -13.798 -8.528 -8.777 1.00 0.00 N ATOM 0 H ARG A 55 -9.852 -8.169 -6.181 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.835 -9.272 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.552 -9.975 -5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.588 -10.830 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.644 -9.080 -3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.928 -7.845 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.231 -9.712 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.307 -7.973 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.350 -8.396 -6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.793 -9.124 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.156 -9.062 -8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.820 -8.316 -8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.469 -8.603 -9.542 1.00 0.00 H new ATOM 837 N THR A 56 -7.730 -10.191 -5.026 1.00 0.00 N ATOM 838 CA THR A 56 -6.715 -11.139 -5.453 1.00 0.00 C ATOM 839 C THR A 56 -5.516 -11.100 -4.503 1.00 0.00 C ATOM 840 O THR A 56 -5.146 -10.037 -4.006 1.00 0.00 O ATOM 841 CB THR A 56 -6.351 -10.820 -6.904 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.438 -9.399 -6.980 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.408 -11.311 -7.895 1.00 0.00 C ATOM 0 H THR A 56 -7.373 -9.269 -4.774 1.00 0.00 H new ATOM 0 HA THR A 56 -7.088 -12.162 -5.414 1.00 0.00 H new ATOM 0 HB THR A 56 -5.390 -11.274 -7.144 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.215 -9.106 -7.888 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.100 -11.059 -8.910 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.516 -12.392 -7.806 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.362 -10.832 -7.676 1.00 0.00 H new ATOM 851 N ASP A 57 -4.941 -12.273 -4.280 1.00 0.00 N ATOM 852 CA ASP A 57 -3.791 -12.387 -3.399 1.00 0.00 C ATOM 853 C ASP A 57 -2.629 -11.576 -3.977 1.00 0.00 C ATOM 854 O ASP A 57 -2.429 -11.549 -5.190 1.00 0.00 O ATOM 855 CB ASP A 57 -3.336 -13.842 -3.273 1.00 0.00 C ATOM 856 CG ASP A 57 -4.376 -14.796 -2.683 1.00 0.00 C ATOM 857 OD1 ASP A 57 -5.553 -14.671 -3.085 1.00 0.00 O ATOM 858 OD2 ASP A 57 -3.971 -15.629 -1.843 1.00 0.00 O ATOM 0 H ASP A 57 -5.250 -13.152 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.080 -12.013 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.051 -14.205 -4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.441 -13.875 -2.651 1.00 0.00 H new ATOM 863 N ARG A 58 -1.892 -10.936 -3.080 1.00 0.00 N ATOM 864 CA ARG A 58 -0.755 -10.128 -3.486 1.00 0.00 C ATOM 865 C ARG A 58 -1.109 -9.295 -4.720 1.00 0.00 C ATOM 866 O ARG A 58 -0.264 -9.070 -5.584 1.00 0.00 O ATOM 867 CB ARG A 58 0.459 -11.003 -3.801 1.00 0.00 C ATOM 868 CG ARG A 58 0.557 -12.177 -2.824 1.00 0.00 C ATOM 869 CD ARG A 58 1.978 -12.744 -2.789 1.00 0.00 C ATOM 870 NE ARG A 58 2.024 -13.941 -1.919 1.00 0.00 N ATOM 871 CZ ARG A 58 1.442 -15.110 -2.219 1.00 0.00 C ATOM 872 NH1 ARG A 58 0.766 -15.248 -3.367 1.00 0.00 N ATOM 873 NH2 ARG A 58 1.536 -16.142 -1.369 1.00 0.00 N ATOM 0 H ARG A 58 -2.060 -10.961 -2.074 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.506 -9.467 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.386 -11.379 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.368 -10.403 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.268 -11.849 -1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.143 -12.959 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.299 -13.005 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.671 -11.988 -2.419 1.00 0.00 H new ATOM 0 HE ARG A 58 2.530 -13.871 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.694 -14.463 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.323 -16.138 -3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.050 -16.037 -0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.093 -17.032 -1.597 1.00 0.00 H new ATOM 887 N CYS A 59 -2.360 -8.862 -4.763 1.00 0.00 N ATOM 888 CA CYS A 59 -2.836 -8.059 -5.877 1.00 0.00 C ATOM 889 C CYS A 59 -2.520 -6.592 -5.581 1.00 0.00 C ATOM 890 O CYS A 59 -2.431 -5.776 -6.498 1.00 0.00 O ATOM 891 CB CYS A 59 -4.328 -8.280 -6.137 1.00 0.00 C ATOM 892 SG CYS A 59 -5.443 -7.528 -4.896 1.00 0.00 S ATOM 0 H CYS A 59 -3.059 -9.052 -4.045 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.326 -8.362 -6.791 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.575 -7.876 -7.119 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.521 -9.352 -6.176 1.00 0.00 H new ATOM 897 N ASN A 60 -2.359 -6.301 -4.299 1.00 0.00 N ATOM 898 CA ASN A 60 -2.055 -4.946 -3.872 1.00 0.00 C ATOM 899 C ASN A 60 -0.541 -4.797 -3.702 1.00 0.00 C ATOM 900 O ASN A 60 -0.073 -4.308 -2.675 1.00 0.00 O ATOM 901 CB ASN A 60 -2.714 -4.631 -2.528 1.00 0.00 C ATOM 902 CG ASN A 60 -2.091 -5.460 -1.403 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.850 -6.649 -1.534 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.846 -4.769 -0.294 1.00 0.00 N ATOM 0 H ASN A 60 -2.433 -6.980 -3.542 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.435 -4.261 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.605 -3.570 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.783 -4.836 -2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.432 -5.232 0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.072 -3.775 -0.252 1.00 0.00 H new ATOM 911 N ASN A 61 0.182 -5.228 -4.725 1.00 0.00 N ATOM 912 CA ASN A 61 1.633 -5.149 -4.702 1.00 0.00 C ATOM 913 C ASN A 61 2.072 -3.772 -5.203 1.00 0.00 C ATOM 914 O ASN A 61 1.235 -3.112 -5.856 1.00 0.00 O ATOM 915 CB ASN A 61 2.256 -6.206 -5.615 1.00 0.00 C ATOM 916 CG ASN A 61 3.693 -5.832 -5.985 1.00 0.00 C ATOM 917 OD1 ASN A 61 3.949 -4.872 -6.694 1.00 0.00 O ATOM 918 ND2 ASN A 61 4.613 -6.641 -5.467 1.00 0.00 N ATOM 919 OXT ASN A 61 3.235 -3.410 -4.923 1.00 0.00 O ATOM 0 H ASN A 61 -0.210 -5.633 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 61 1.964 -5.318 -3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.246 -7.175 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.658 -6.308 -6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.602 -6.476 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.330 -7.427 -4.882 1.00 0.00 H new TER 926 ASN A 61