USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 669 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 GLY N :NH3+ -103:sc= 0.0305 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 6 HIS : no HD1:sc= -0.412 K(o=-0.41,f=-1.3) USER MOD Single : A 7 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.03) USER MOD Single : A 13 ASN : amide:sc= -0.197 X(o=-0.2,f=0.095) USER MOD Single : A 15 GLN : amide:sc=-0.00295 X(o=-0.0029,f=-0.053) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.107) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 161:sc= -0.151 (180deg=-0.738) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.453 K(o=0.45,f=-4.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0305) USER MOD Single : A 33 LYS NZ :NH3+ -115:sc= 0.312 (180deg=0.022) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.723 K(o=-0.72,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0136) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 112:sc= 0.807 USER MOD Single : A 47 GLN : amide:sc= -0.0132 K(o=-0.013,f=-0.75!) USER MOD Single : A 48 CYS SG : rot 113:sc= -5.77! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 8:sc= 0.298 USER MOD Single : A 52 MET CE :methyl 161:sc= -0.117 (180deg=-0.589) USER MOD Single : A 53 GLN : amide:sc= -2.43! K(o=-2.4!,f=-0.053) USER MOD Single : A 54 THR OG1 : rot 42:sc= 1.02 USER MOD Single : A 57 CYS SG : rot -28:sc= 0.0343 USER MOD Single : A 58 THR OG1 : rot -33:sc= 0.596 USER MOD Single : A 59 THR OG1 : rot -4:sc= 0.457 USER MOD Single : A 60 SER OG : rot 180:sc= -0.242 USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.0513 (180deg=-0.202) USER MOD Single : A 64 CYS SG : rot -5:sc= -1.71 USER MOD Single : A 67 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-3.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.32) USER MOD Single : A 74 LYS NZ :NH3+ -169:sc=-0.00974 (180deg=-0.165) USER MOD Single : A 80 CYS SG : rot 146:sc= 0.129 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.09) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc=-0.000142 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.809 13.084 1.469 1.00 19.14 N ATOM 2 CA GLY A 1 21.373 13.127 1.757 1.00 18.53 C ATOM 3 C GLY A 1 21.101 13.897 3.018 1.00 18.04 C ATOM 4 O GLY A 1 21.892 13.840 3.950 1.00 17.99 O ATOM 0 H1 GLY A 1 23.031 13.760 0.711 1.00 19.14 H new ATOM 0 H2 GLY A 1 23.343 13.336 2.325 1.00 19.14 H new ATOM 0 H3 GLY A 1 23.074 12.125 1.166 1.00 19.14 H new ATOM 0 HA2 GLY A 1 20.845 13.589 0.923 1.00 18.53 H new ATOM 0 HA3 GLY A 1 20.987 12.112 1.856 1.00 18.53 H new ATOM 10 N HIS A 2 19.995 14.633 3.051 1.00 17.81 N ATOM 11 CA HIS A 2 19.637 15.415 4.230 1.00 17.49 C ATOM 12 C HIS A 2 18.368 14.875 4.888 1.00 16.98 C ATOM 13 O HIS A 2 18.324 14.673 6.092 1.00 17.17 O ATOM 14 CB HIS A 2 19.492 16.918 3.882 1.00 17.97 C ATOM 15 CG HIS A 2 19.079 17.804 5.049 1.00 18.64 C ATOM 16 ND1 HIS A 2 18.027 18.702 4.986 1.00 19.07 N ATOM 17 CD2 HIS A 2 19.591 17.927 6.311 1.00 19.08 C ATOM 18 CE1 HIS A 2 17.907 19.328 6.138 1.00 19.72 C ATOM 19 NE2 HIS A 2 18.837 18.882 6.958 1.00 19.74 N ATOM 0 H HIS A 2 19.333 14.705 2.278 1.00 17.81 H new ATOM 0 HA HIS A 2 20.449 15.318 4.950 1.00 17.49 H new ATOM 0 HB2 HIS A 2 20.442 17.279 3.488 1.00 17.97 H new ATOM 0 HB3 HIS A 2 18.756 17.023 3.085 1.00 17.97 H new ATOM 0 HD2 HIS A 2 20.427 17.380 6.722 1.00 19.08 H new ATOM 0 HE1 HIS A 2 17.169 20.081 6.372 1.00 19.72 H new ATOM 0 HE2 HIS A 2 18.977 19.194 7.919 1.00 19.74 H new ATOM 28 N HIS A 3 17.347 14.650 4.105 1.00 16.46 N ATOM 29 CA HIS A 3 16.098 14.160 4.625 1.00 16.07 C ATOM 30 C HIS A 3 15.911 12.693 4.203 1.00 15.28 C ATOM 31 O HIS A 3 16.034 12.367 3.027 1.00 15.31 O ATOM 32 CB HIS A 3 14.950 15.059 4.115 1.00 16.31 C ATOM 33 CG HIS A 3 13.589 14.753 4.681 1.00 16.79 C ATOM 34 ND1 HIS A 3 12.450 14.704 3.915 1.00 17.14 N ATOM 35 CD2 HIS A 3 13.185 14.534 5.966 1.00 17.13 C ATOM 36 CE1 HIS A 3 11.407 14.467 4.692 1.00 17.67 C ATOM 37 NE2 HIS A 3 11.828 14.360 5.942 1.00 17.67 N ATOM 0 H HIS A 3 17.356 14.800 3.096 1.00 16.46 H new ATOM 0 HA HIS A 3 16.094 14.195 5.714 1.00 16.07 H new ATOM 0 HB2 HIS A 3 15.195 16.096 4.344 1.00 16.31 H new ATOM 0 HB3 HIS A 3 14.900 14.975 3.029 1.00 16.31 H new ATOM 0 HD2 HIS A 3 13.819 14.504 6.840 1.00 17.13 H new ATOM 0 HE1 HIS A 3 10.383 14.376 4.362 1.00 17.67 H new ATOM 0 HE2 HIS A 3 11.238 14.178 6.754 1.00 17.67 H new ATOM 46 N HIS A 4 15.632 11.818 5.174 1.00 14.74 N ATOM 47 CA HIS A 4 15.440 10.385 4.894 1.00 14.10 C ATOM 48 C HIS A 4 14.195 10.144 4.042 1.00 13.70 C ATOM 49 O HIS A 4 13.242 10.931 4.073 1.00 14.01 O ATOM 50 CB HIS A 4 15.368 9.532 6.185 1.00 13.88 C ATOM 51 CG HIS A 4 16.647 9.460 6.979 1.00 13.85 C ATOM 52 ND1 HIS A 4 16.683 9.458 8.355 1.00 14.10 N ATOM 53 CD2 HIS A 4 17.941 9.321 6.579 1.00 13.80 C ATOM 54 CE1 HIS A 4 17.932 9.326 8.760 1.00 14.18 C ATOM 55 NE2 HIS A 4 18.712 9.241 7.707 1.00 14.00 N ATOM 0 H HIS A 4 15.534 12.071 6.157 1.00 14.74 H new ATOM 0 HA HIS A 4 16.319 10.067 4.334 1.00 14.10 H new ATOM 0 HB2 HIS A 4 14.584 9.936 6.825 1.00 13.88 H new ATOM 0 HB3 HIS A 4 15.069 8.519 5.916 1.00 13.88 H new ATOM 0 HD2 HIS A 4 18.294 9.281 5.559 1.00 13.80 H new ATOM 0 HE1 HIS A 4 18.259 9.293 9.789 1.00 14.18 H new ATOM 0 HE2 HIS A 4 19.726 9.133 7.727 1.00 14.00 H new ATOM 64 N HIS A 5 14.215 9.074 3.283 1.00 13.18 N ATOM 65 CA HIS A 5 13.109 8.723 2.408 1.00 12.93 C ATOM 66 C HIS A 5 12.654 7.306 2.719 1.00 12.32 C ATOM 67 O HIS A 5 13.446 6.497 3.198 1.00 12.40 O ATOM 68 CB HIS A 5 13.528 8.824 0.919 1.00 13.06 C ATOM 69 CG HIS A 5 14.009 10.190 0.499 1.00 13.43 C ATOM 70 ND1 HIS A 5 15.313 10.456 0.168 1.00 13.64 N ATOM 71 CD2 HIS A 5 13.341 11.359 0.346 1.00 13.81 C ATOM 72 CE1 HIS A 5 15.433 11.731 -0.161 1.00 14.12 C ATOM 73 NE2 HIS A 5 14.248 12.301 -0.066 1.00 14.24 N ATOM 0 H HIS A 5 14.996 8.419 3.251 1.00 13.18 H new ATOM 0 HA HIS A 5 12.291 9.422 2.580 1.00 12.93 H new ATOM 0 HB2 HIS A 5 14.319 8.099 0.727 1.00 13.06 H new ATOM 0 HB3 HIS A 5 12.679 8.543 0.295 1.00 13.06 H new ATOM 0 HD2 HIS A 5 12.287 11.519 0.517 1.00 13.81 H new ATOM 0 HE1 HIS A 5 16.348 12.223 -0.458 1.00 14.12 H new ATOM 0 HE2 HIS A 5 14.041 13.280 -0.266 1.00 14.24 H new ATOM 82 N HIS A 6 11.386 7.003 2.467 1.00 11.88 N ATOM 83 CA HIS A 6 10.865 5.646 2.738 1.00 11.42 C ATOM 84 C HIS A 6 11.362 4.655 1.699 1.00 10.42 C ATOM 85 O HIS A 6 11.458 4.980 0.520 1.00 10.22 O ATOM 86 CB HIS A 6 9.315 5.602 2.866 1.00 11.97 C ATOM 87 CG HIS A 6 8.524 6.068 1.660 1.00 12.55 C ATOM 88 ND1 HIS A 6 8.188 5.249 0.606 1.00 12.82 N ATOM 89 CD2 HIS A 6 7.978 7.279 1.373 1.00 13.11 C ATOM 90 CE1 HIS A 6 7.478 5.933 -0.272 1.00 13.49 C ATOM 91 NE2 HIS A 6 7.336 7.166 0.175 1.00 13.67 N ATOM 0 H HIS A 6 10.703 7.656 2.083 1.00 11.88 H new ATOM 0 HA HIS A 6 11.258 5.352 3.711 1.00 11.42 H new ATOM 0 HB2 HIS A 6 9.020 4.577 3.092 1.00 11.97 H new ATOM 0 HB3 HIS A 6 9.026 6.213 3.721 1.00 11.97 H new ATOM 0 HD2 HIS A 6 8.041 8.168 1.982 1.00 13.11 H new ATOM 0 HE1 HIS A 6 7.081 5.548 -1.200 1.00 13.49 H new ATOM 0 HE2 HIS A 6 6.828 7.913 -0.298 1.00 13.67 H new ATOM 100 N HIS A 7 11.673 3.458 2.136 1.00 9.98 N ATOM 101 CA HIS A 7 12.206 2.426 1.254 1.00 9.18 C ATOM 102 C HIS A 7 11.408 1.142 1.405 1.00 9.04 C ATOM 103 O HIS A 7 10.771 0.948 2.431 1.00 9.71 O ATOM 104 CB HIS A 7 13.692 2.157 1.578 1.00 9.12 C ATOM 105 CG HIS A 7 14.605 3.340 1.359 1.00 9.44 C ATOM 106 ND1 HIS A 7 15.133 4.097 2.383 1.00 9.56 N ATOM 107 CD2 HIS A 7 15.097 3.877 0.219 1.00 9.92 C ATOM 108 CE1 HIS A 7 15.905 5.040 1.878 1.00 10.08 C ATOM 109 NE2 HIS A 7 15.897 4.927 0.572 1.00 10.30 N ATOM 0 H HIS A 7 11.567 3.165 3.107 1.00 9.98 H new ATOM 0 HA HIS A 7 12.126 2.777 0.225 1.00 9.18 H new ATOM 0 HB2 HIS A 7 13.772 1.840 2.618 1.00 9.12 H new ATOM 0 HB3 HIS A 7 14.040 1.327 0.964 1.00 9.12 H new ATOM 0 HD2 HIS A 7 14.895 3.538 -0.786 1.00 9.92 H new ATOM 0 HE1 HIS A 7 16.451 5.780 2.445 1.00 10.08 H new ATOM 0 HE2 HIS A 7 16.406 5.527 -0.077 1.00 10.30 H new ATOM 118 N LEU A 8 11.438 0.298 0.359 1.00 8.37 N ATOM 119 CA LEU A 8 10.768 -1.024 0.325 1.00 8.37 C ATOM 120 C LEU A 8 9.226 -0.896 0.199 1.00 8.86 C ATOM 121 O LEU A 8 8.646 0.146 0.546 1.00 9.23 O ATOM 122 CB LEU A 8 11.189 -1.914 1.530 1.00 9.01 C ATOM 123 CG LEU A 8 10.642 -3.352 1.568 1.00 9.38 C ATOM 124 CD1 LEU A 8 11.102 -4.144 0.350 1.00 9.11 C ATOM 125 CD2 LEU A 8 11.069 -4.052 2.856 1.00 10.10 C ATOM 0 H LEU A 8 11.936 0.515 -0.504 1.00 8.37 H new ATOM 0 HA LEU A 8 11.109 -1.531 -0.578 1.00 8.37 H new ATOM 0 HB2 LEU A 8 12.278 -1.966 1.547 1.00 9.01 H new ATOM 0 HB3 LEU A 8 10.880 -1.411 2.446 1.00 9.01 H new ATOM 0 HG LEU A 8 9.553 -3.301 1.545 1.00 9.38 H new ATOM 0 HD11 LEU A 8 10.702 -5.156 0.402 1.00 9.11 H new ATOM 0 HD12 LEU A 8 10.743 -3.658 -0.557 1.00 9.11 H new ATOM 0 HD13 LEU A 8 12.191 -4.185 0.333 1.00 9.11 H new ATOM 0 HD21 LEU A 8 10.674 -5.068 2.866 1.00 10.10 H new ATOM 0 HD22 LEU A 8 12.157 -4.086 2.908 1.00 10.10 H new ATOM 0 HD23 LEU A 8 10.681 -3.503 3.714 1.00 10.10 H new ATOM 137 N GLU A 9 8.604 -1.944 -0.371 1.00 9.12 N ATOM 138 CA GLU A 9 7.148 -2.063 -0.562 1.00 9.86 C ATOM 139 C GLU A 9 6.672 -0.970 -1.550 1.00 9.89 C ATOM 140 O GLU A 9 5.493 -0.647 -1.658 1.00 10.56 O ATOM 141 CB GLU A 9 6.423 -1.955 0.803 1.00 10.56 C ATOM 142 CG GLU A 9 5.014 -2.540 0.827 1.00 11.13 C ATOM 143 CD GLU A 9 5.025 -4.038 0.653 1.00 11.53 C ATOM 144 OE1 GLU A 9 4.987 -4.513 -0.505 1.00 11.87 O ATOM 145 OE2 GLU A 9 5.084 -4.765 1.673 1.00 11.70 O ATOM 0 H GLU A 9 9.115 -2.754 -0.721 1.00 9.12 H new ATOM 0 HA GLU A 9 6.906 -3.038 -0.986 1.00 9.86 H new ATOM 0 HB2 GLU A 9 7.024 -2.461 1.559 1.00 10.56 H new ATOM 0 HB3 GLU A 9 6.370 -0.904 1.088 1.00 10.56 H new ATOM 0 HG2 GLU A 9 4.532 -2.288 1.771 1.00 11.13 H new ATOM 0 HG3 GLU A 9 4.419 -2.087 0.034 1.00 11.13 H new ATOM 152 N GLY A 10 7.621 -0.451 -2.302 1.00 9.36 N ATOM 153 CA GLY A 10 7.376 0.587 -3.249 1.00 9.60 C ATOM 154 C GLY A 10 8.645 0.886 -3.997 1.00 8.87 C ATOM 155 O GLY A 10 9.709 0.363 -3.638 1.00 9.04 O ATOM 0 H GLY A 10 8.595 -0.752 -2.262 1.00 9.36 H new ATOM 0 HA2 GLY A 10 6.593 0.283 -3.944 1.00 9.60 H new ATOM 0 HA3 GLY A 10 7.020 1.483 -2.740 1.00 9.60 H new ATOM 159 N GLY A 11 8.554 1.702 -5.019 1.00 8.30 N ATOM 160 CA GLY A 11 9.721 2.038 -5.809 1.00 7.80 C ATOM 161 C GLY A 11 9.333 2.492 -7.190 1.00 8.13 C ATOM 162 O GLY A 11 9.936 3.391 -7.745 1.00 8.45 O ATOM 0 H GLY A 11 7.688 2.146 -5.325 1.00 8.30 H new ATOM 0 HA2 GLY A 11 10.286 2.825 -5.310 1.00 7.80 H new ATOM 0 HA3 GLY A 11 10.377 1.171 -5.880 1.00 7.80 H new ATOM 166 N GLY A 12 8.305 1.869 -7.742 1.00 8.34 N ATOM 167 CA GLY A 12 7.831 2.258 -9.048 1.00 8.95 C ATOM 168 C GLY A 12 8.050 1.194 -10.087 1.00 8.79 C ATOM 169 O GLY A 12 7.482 1.272 -11.172 1.00 9.24 O ATOM 0 H GLY A 12 7.792 1.102 -7.308 1.00 8.34 H new ATOM 0 HA2 GLY A 12 6.767 2.489 -8.990 1.00 8.95 H new ATOM 0 HA3 GLY A 12 8.339 3.171 -9.357 1.00 8.95 H new ATOM 173 N ASN A 13 8.890 0.196 -9.746 1.00 8.39 N ATOM 174 CA ASN A 13 9.208 -0.944 -10.642 1.00 8.53 C ATOM 175 C ASN A 13 10.003 -0.459 -11.870 1.00 9.29 C ATOM 176 O ASN A 13 10.457 0.699 -11.901 1.00 9.68 O ATOM 177 CB ASN A 13 7.915 -1.690 -11.079 1.00 8.84 C ATOM 178 CG ASN A 13 7.163 -2.367 -9.927 1.00 9.25 C ATOM 179 OD1 ASN A 13 6.357 -1.746 -9.246 1.00 9.50 O ATOM 180 ND2 ASN A 13 7.386 -3.652 -9.727 1.00 9.58 N ATOM 0 H ASN A 13 9.368 0.154 -8.846 1.00 8.39 H new ATOM 0 HA ASN A 13 9.827 -1.649 -10.088 1.00 8.53 H new ATOM 0 HB2 ASN A 13 7.247 -0.981 -11.568 1.00 8.84 H new ATOM 0 HB3 ASN A 13 8.177 -2.444 -11.821 1.00 8.84 H new ATOM 0 HD21 ASN A 13 6.882 -4.149 -8.992 1.00 9.58 H new ATOM 0 HD22 ASN A 13 8.062 -4.149 -10.307 1.00 9.58 H new ATOM 187 N ALA A 14 10.193 -1.339 -12.856 1.00 9.70 N ATOM 188 CA ALA A 14 10.892 -0.998 -14.091 1.00 10.58 C ATOM 189 C ALA A 14 10.693 -2.077 -15.170 1.00 11.08 C ATOM 190 O ALA A 14 9.619 -2.180 -15.743 1.00 11.12 O ATOM 191 CB ALA A 14 12.380 -0.682 -13.867 1.00 10.70 C ATOM 0 H ALA A 14 9.867 -2.305 -12.818 1.00 9.70 H new ATOM 0 HA ALA A 14 10.438 -0.077 -14.458 1.00 10.58 H new ATOM 0 HB1 ALA A 14 12.847 -0.436 -14.821 1.00 10.70 H new ATOM 0 HB2 ALA A 14 12.474 0.165 -13.187 1.00 10.70 H new ATOM 0 HB3 ALA A 14 12.875 -1.551 -13.434 1.00 10.70 H new ATOM 197 N GLN A 15 11.712 -2.929 -15.397 1.00 11.67 N ATOM 198 CA GLN A 15 11.612 -3.951 -16.439 1.00 12.40 C ATOM 199 C GLN A 15 11.455 -5.337 -15.819 1.00 12.25 C ATOM 200 O GLN A 15 10.382 -5.912 -15.811 1.00 12.05 O ATOM 201 CB GLN A 15 12.863 -3.939 -17.356 1.00 13.27 C ATOM 202 CG GLN A 15 13.167 -2.608 -18.051 1.00 13.75 C ATOM 203 CD GLN A 15 12.049 -2.106 -18.958 1.00 14.68 C ATOM 204 OE1 GLN A 15 11.171 -1.372 -18.528 1.00 15.07 O ATOM 205 NE2 GLN A 15 12.075 -2.507 -20.210 1.00 15.18 N ATOM 0 H GLN A 15 12.592 -2.926 -14.882 1.00 11.67 H new ATOM 0 HA GLN A 15 10.732 -3.721 -17.040 1.00 12.40 H new ATOM 0 HB2 GLN A 15 13.730 -4.222 -16.760 1.00 13.27 H new ATOM 0 HB3 GLN A 15 12.737 -4.706 -18.120 1.00 13.27 H new ATOM 0 HG2 GLN A 15 13.370 -1.853 -17.292 1.00 13.75 H new ATOM 0 HG3 GLN A 15 14.076 -2.719 -18.642 1.00 13.75 H new ATOM 0 HE21 GLN A 15 12.823 -3.120 -20.534 1.00 15.18 H new ATOM 0 HE22 GLN A 15 11.347 -2.205 -20.857 1.00 15.18 H new ATOM 214 N LYS A 16 12.537 -5.844 -15.237 1.00 12.53 N ATOM 215 CA LYS A 16 12.555 -7.196 -14.634 1.00 12.66 C ATOM 216 C LYS A 16 11.948 -7.165 -13.232 1.00 11.86 C ATOM 217 O LYS A 16 11.865 -8.178 -12.536 1.00 12.01 O ATOM 218 CB LYS A 16 14.001 -7.734 -14.582 1.00 12.80 C ATOM 219 CG LYS A 16 14.675 -7.873 -15.960 1.00 13.55 C ATOM 220 CD LYS A 16 13.995 -8.921 -16.851 1.00 14.34 C ATOM 221 CE LYS A 16 14.141 -10.346 -16.308 1.00 15.06 C ATOM 222 NZ LYS A 16 15.552 -10.792 -16.264 1.00 15.42 N ATOM 0 H LYS A 16 13.424 -5.345 -15.164 1.00 12.53 H new ATOM 0 HA LYS A 16 11.954 -7.862 -15.253 1.00 12.66 H new ATOM 0 HB2 LYS A 16 14.602 -7.069 -13.962 1.00 12.80 H new ATOM 0 HB3 LYS A 16 13.997 -8.708 -14.093 1.00 12.80 H new ATOM 0 HG2 LYS A 16 14.660 -6.908 -16.466 1.00 13.55 H new ATOM 0 HG3 LYS A 16 15.722 -8.144 -15.822 1.00 13.55 H new ATOM 0 HD2 LYS A 16 12.936 -8.680 -16.945 1.00 14.34 H new ATOM 0 HD3 LYS A 16 14.423 -8.873 -17.852 1.00 14.34 H new ATOM 0 HE2 LYS A 16 13.716 -10.395 -15.305 1.00 15.06 H new ATOM 0 HE3 LYS A 16 13.566 -11.030 -16.932 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 15.589 -11.806 -16.037 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 15.997 -10.628 -17.190 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 16.063 -10.255 -15.535 1.00 15.42 H new ATOM 236 N SER A 17 11.470 -6.005 -12.865 1.00 11.21 N ATOM 237 CA SER A 17 10.896 -5.762 -11.580 1.00 10.50 C ATOM 238 C SER A 17 9.441 -6.248 -11.540 1.00 10.66 C ATOM 239 O SER A 17 8.694 -5.886 -10.653 1.00 10.17 O ATOM 240 CB SER A 17 10.960 -4.276 -11.317 1.00 10.42 C ATOM 241 OG SER A 17 12.287 -3.795 -11.481 1.00 10.72 O ATOM 0 H SER A 17 11.472 -5.185 -13.472 1.00 11.21 H new ATOM 0 HA SER A 17 11.448 -6.306 -10.814 1.00 10.50 H new ATOM 0 HB2 SER A 17 10.291 -3.752 -11.999 1.00 10.42 H new ATOM 0 HB3 SER A 17 10.614 -4.065 -10.305 1.00 10.42 H new ATOM 0 HG SER A 17 12.309 -2.831 -11.308 1.00 10.72 H new ATOM 247 N ALA A 18 9.074 -7.088 -12.500 1.00 11.52 N ATOM 248 CA ALA A 18 7.739 -7.654 -12.578 1.00 11.99 C ATOM 249 C ALA A 18 7.544 -8.719 -11.498 1.00 11.45 C ATOM 250 O ALA A 18 6.421 -8.996 -11.084 1.00 11.42 O ATOM 251 CB ALA A 18 7.509 -8.250 -13.954 1.00 13.14 C ATOM 0 H ALA A 18 9.698 -7.395 -13.247 1.00 11.52 H new ATOM 0 HA ALA A 18 7.012 -6.859 -12.411 1.00 11.99 H new ATOM 0 HB1 ALA A 18 6.505 -8.672 -14.004 1.00 13.14 H new ATOM 0 HB2 ALA A 18 7.613 -7.472 -14.710 1.00 13.14 H new ATOM 0 HB3 ALA A 18 8.243 -9.035 -14.138 1.00 13.14 H new ATOM 257 N MET A 19 8.652 -9.303 -11.044 1.00 11.20 N ATOM 258 CA MET A 19 8.609 -10.323 -9.998 1.00 10.90 C ATOM 259 C MET A 19 9.962 -10.504 -9.324 1.00 9.99 C ATOM 260 O MET A 19 10.024 -10.877 -8.157 1.00 9.63 O ATOM 261 CB MET A 19 8.075 -11.672 -10.524 1.00 11.94 C ATOM 262 CG MET A 19 8.926 -12.316 -11.625 1.00 12.49 C ATOM 263 SD MET A 19 8.241 -13.877 -12.228 1.00 13.40 S ATOM 264 CE MET A 19 6.651 -13.328 -12.870 1.00 14.08 C ATOM 0 H MET A 19 9.589 -9.087 -11.384 1.00 11.20 H new ATOM 0 HA MET A 19 7.908 -9.961 -9.246 1.00 10.90 H new ATOM 0 HB2 MET A 19 8.000 -12.368 -9.688 1.00 11.94 H new ATOM 0 HB3 MET A 19 7.065 -11.523 -10.906 1.00 11.94 H new ATOM 0 HG2 MET A 19 9.018 -11.620 -12.459 1.00 12.49 H new ATOM 0 HG3 MET A 19 9.932 -12.491 -11.243 1.00 12.49 H new ATOM 0 HE1 MET A 19 6.261 -14.074 -13.562 1.00 14.08 H new ATOM 0 HE2 MET A 19 5.951 -13.197 -12.045 1.00 14.08 H new ATOM 0 HE3 MET A 19 6.777 -12.380 -13.393 1.00 14.08 H new ATOM 274 N ALA A 20 11.051 -10.245 -10.053 1.00 9.77 N ATOM 275 CA ALA A 20 12.375 -10.367 -9.463 1.00 9.13 C ATOM 276 C ALA A 20 12.528 -9.348 -8.346 1.00 8.17 C ATOM 277 O ALA A 20 13.002 -9.664 -7.258 1.00 7.84 O ATOM 278 CB ALA A 20 13.466 -10.196 -10.512 1.00 9.45 C ATOM 0 H ALA A 20 11.039 -9.956 -11.031 1.00 9.77 H new ATOM 0 HA ALA A 20 12.483 -11.369 -9.048 1.00 9.13 H new ATOM 0 HB1 ALA A 20 14.443 -10.293 -10.039 1.00 9.45 H new ATOM 0 HB2 ALA A 20 13.356 -10.963 -11.279 1.00 9.45 H new ATOM 0 HB3 ALA A 20 13.380 -9.210 -10.969 1.00 9.45 H new ATOM 284 N ARG A 21 12.115 -8.130 -8.631 1.00 7.98 N ATOM 285 CA ARG A 21 12.108 -7.062 -7.649 1.00 7.29 C ATOM 286 C ARG A 21 10.812 -6.276 -7.775 1.00 7.26 C ATOM 287 O ARG A 21 10.795 -5.180 -8.337 1.00 7.10 O ATOM 288 CB ARG A 21 13.322 -6.116 -7.803 1.00 7.43 C ATOM 289 CG ARG A 21 14.685 -6.801 -7.680 1.00 8.11 C ATOM 290 CD ARG A 21 15.836 -5.804 -7.773 1.00 8.51 C ATOM 291 NE ARG A 21 15.822 -4.824 -6.672 1.00 8.99 N ATOM 292 CZ ARG A 21 16.799 -3.923 -6.433 1.00 9.65 C ATOM 293 NH1 ARG A 21 17.882 -3.874 -7.209 1.00 9.90 N ATOM 294 NH2 ARG A 21 16.689 -3.096 -5.417 1.00 10.29 N ATOM 0 H ARG A 21 11.774 -7.851 -9.551 1.00 7.98 H new ATOM 0 HA ARG A 21 12.180 -7.514 -6.660 1.00 7.29 H new ATOM 0 HB2 ARG A 21 13.263 -5.626 -8.775 1.00 7.43 H new ATOM 0 HB3 ARG A 21 13.254 -5.334 -7.047 1.00 7.43 H new ATOM 0 HG2 ARG A 21 14.740 -7.331 -6.729 1.00 8.11 H new ATOM 0 HG3 ARG A 21 14.788 -7.548 -8.467 1.00 8.11 H new ATOM 0 HD2 ARG A 21 16.783 -6.344 -7.763 1.00 8.51 H new ATOM 0 HD3 ARG A 21 15.780 -5.277 -8.725 1.00 8.51 H new ATOM 0 HE ARG A 21 15.017 -4.827 -6.046 1.00 8.99 H new ATOM 0 HH11 ARG A 21 17.978 -4.521 -7.992 1.00 9.90 H new ATOM 0 HH12 ARG A 21 18.614 -3.190 -7.020 1.00 9.90 H new ATOM 0 HH21 ARG A 21 15.868 -3.137 -4.813 1.00 10.29 H new ATOM 0 HH22 ARG A 21 17.425 -2.414 -5.233 1.00 10.29 H new ATOM 308 N ALA A 22 9.721 -6.875 -7.339 1.00 7.72 N ATOM 309 CA ALA A 22 8.432 -6.216 -7.394 1.00 8.05 C ATOM 310 C ALA A 22 8.330 -5.220 -6.266 1.00 7.56 C ATOM 311 O ALA A 22 8.440 -5.594 -5.106 1.00 7.73 O ATOM 312 CB ALA A 22 7.300 -7.236 -7.341 1.00 9.15 C ATOM 0 H ALA A 22 9.702 -7.815 -6.944 1.00 7.72 H new ATOM 0 HA ALA A 22 8.340 -5.682 -8.340 1.00 8.05 H new ATOM 0 HB1 ALA A 22 6.342 -6.718 -7.384 1.00 9.15 H new ATOM 0 HB2 ALA A 22 7.383 -7.916 -8.189 1.00 9.15 H new ATOM 0 HB3 ALA A 22 7.365 -7.804 -6.413 1.00 9.15 H new ATOM 318 N LYS A 23 8.133 -3.939 -6.635 1.00 7.27 N ATOM 319 CA LYS A 23 8.097 -2.808 -5.690 1.00 7.12 C ATOM 320 C LYS A 23 9.205 -2.814 -4.670 1.00 6.46 C ATOM 321 O LYS A 23 9.008 -3.137 -3.499 1.00 6.78 O ATOM 322 CB LYS A 23 6.737 -2.488 -5.050 1.00 8.04 C ATOM 323 CG LYS A 23 5.980 -3.662 -4.420 1.00 8.77 C ATOM 324 CD LYS A 23 4.729 -3.206 -3.637 1.00 9.62 C ATOM 325 CE LYS A 23 3.675 -2.491 -4.497 1.00 10.49 C ATOM 326 NZ LYS A 23 3.057 -3.378 -5.522 1.00 11.12 N ATOM 0 H LYS A 23 7.993 -3.659 -7.606 1.00 7.27 H new ATOM 0 HA LYS A 23 8.283 -1.971 -6.363 1.00 7.12 H new ATOM 0 HB2 LYS A 23 6.892 -1.731 -4.281 1.00 8.04 H new ATOM 0 HB3 LYS A 23 6.099 -2.041 -5.812 1.00 8.04 H new ATOM 0 HG2 LYS A 23 5.681 -4.359 -5.203 1.00 8.77 H new ATOM 0 HG3 LYS A 23 6.648 -4.203 -3.749 1.00 8.77 H new ATOM 0 HD2 LYS A 23 4.270 -4.076 -3.168 1.00 9.62 H new ATOM 0 HD3 LYS A 23 5.040 -2.538 -2.834 1.00 9.62 H new ATOM 0 HE2 LYS A 23 2.893 -2.096 -3.849 1.00 10.49 H new ATOM 0 HE3 LYS A 23 4.138 -1.639 -4.994 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 2.356 -2.840 -6.069 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 3.795 -3.736 -6.162 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 2.589 -4.178 -5.051 1.00 11.12 H new ATOM 340 N ASN A 24 10.361 -2.478 -5.110 1.00 5.86 N ATOM 341 CA ASN A 24 11.476 -2.480 -4.245 1.00 5.58 C ATOM 342 C ASN A 24 12.442 -1.393 -4.667 1.00 5.25 C ATOM 343 O ASN A 24 12.475 -1.023 -5.844 1.00 5.71 O ATOM 344 CB ASN A 24 12.156 -3.872 -4.260 1.00 5.59 C ATOM 345 CG ASN A 24 13.410 -3.958 -3.402 1.00 6.03 C ATOM 346 OD1 ASN A 24 14.511 -3.703 -3.872 1.00 6.46 O ATOM 347 ND2 ASN A 24 13.251 -4.329 -2.152 1.00 6.29 N ATOM 0 H ASN A 24 10.558 -2.197 -6.070 1.00 5.86 H new ATOM 0 HA ASN A 24 11.151 -2.277 -3.224 1.00 5.58 H new ATOM 0 HB2 ASN A 24 11.440 -4.618 -3.915 1.00 5.59 H new ATOM 0 HB3 ASN A 24 12.413 -4.128 -5.288 1.00 5.59 H new ATOM 0 HD21 ASN A 24 14.061 -4.413 -1.538 1.00 6.29 H new ATOM 0 HD22 ASN A 24 12.317 -4.533 -1.795 1.00 6.29 H new ATOM 354 N LEU A 25 13.195 -0.874 -3.712 1.00 4.87 N ATOM 355 CA LEU A 25 14.189 0.134 -3.976 1.00 4.97 C ATOM 356 C LEU A 25 15.469 -0.225 -3.222 1.00 4.70 C ATOM 357 O LEU A 25 16.362 -0.821 -3.785 1.00 4.86 O ATOM 358 CB LEU A 25 13.662 1.535 -3.602 1.00 5.36 C ATOM 359 CG LEU A 25 14.598 2.733 -3.873 1.00 6.04 C ATOM 360 CD1 LEU A 25 14.950 2.816 -5.345 1.00 6.81 C ATOM 361 CD2 LEU A 25 13.948 4.040 -3.423 1.00 6.58 C ATOM 0 H LEU A 25 13.128 -1.146 -2.731 1.00 4.87 H new ATOM 0 HA LEU A 25 14.414 0.165 -5.042 1.00 4.97 H new ATOM 0 HB2 LEU A 25 12.732 1.703 -4.145 1.00 5.36 H new ATOM 0 HB3 LEU A 25 13.415 1.532 -2.540 1.00 5.36 H new ATOM 0 HG LEU A 25 15.512 2.579 -3.300 1.00 6.04 H new ATOM 0 HD11 LEU A 25 15.610 3.667 -5.514 1.00 6.81 H new ATOM 0 HD12 LEU A 25 15.454 1.899 -5.651 1.00 6.81 H new ATOM 0 HD13 LEU A 25 14.039 2.942 -5.930 1.00 6.81 H new ATOM 0 HD21 LEU A 25 14.625 4.871 -3.623 1.00 6.58 H new ATOM 0 HD22 LEU A 25 13.017 4.190 -3.970 1.00 6.58 H new ATOM 0 HD23 LEU A 25 13.738 3.993 -2.355 1.00 6.58 H new ATOM 373 N GLU A 26 15.507 0.065 -1.931 1.00 4.76 N ATOM 374 CA GLU A 26 16.651 -0.290 -1.098 1.00 4.96 C ATOM 375 C GLU A 26 16.179 -1.257 -0.022 1.00 4.83 C ATOM 376 O GLU A 26 14.966 -1.486 0.129 1.00 4.95 O ATOM 377 CB GLU A 26 17.255 0.946 -0.404 1.00 5.70 C ATOM 378 CG GLU A 26 17.717 2.070 -1.322 1.00 6.48 C ATOM 379 CD GLU A 26 18.802 1.654 -2.294 1.00 7.27 C ATOM 380 OE1 GLU A 26 19.981 1.684 -1.918 1.00 7.68 O ATOM 381 OE2 GLU A 26 18.472 1.312 -3.431 1.00 7.70 O ATOM 0 H GLU A 26 14.758 0.547 -1.434 1.00 4.76 H new ATOM 0 HA GLU A 26 17.414 -0.736 -1.736 1.00 4.96 H new ATOM 0 HB2 GLU A 26 16.513 1.349 0.286 1.00 5.70 H new ATOM 0 HB3 GLU A 26 18.105 0.622 0.196 1.00 5.70 H new ATOM 0 HG2 GLU A 26 16.861 2.443 -1.884 1.00 6.48 H new ATOM 0 HG3 GLU A 26 18.084 2.897 -0.714 1.00 6.48 H new ATOM 388 N LYS A 27 17.111 -1.793 0.736 1.00 5.08 N ATOM 389 CA LYS A 27 16.788 -2.700 1.829 1.00 5.48 C ATOM 390 C LYS A 27 17.230 -2.076 3.143 1.00 5.57 C ATOM 391 O LYS A 27 18.419 -2.015 3.422 1.00 6.04 O ATOM 392 CB LYS A 27 17.484 -4.065 1.632 1.00 6.20 C ATOM 393 CG LYS A 27 17.124 -4.765 0.318 1.00 6.72 C ATOM 394 CD LYS A 27 17.841 -6.116 0.153 1.00 7.40 C ATOM 395 CE LYS A 27 19.369 -5.980 0.095 1.00 8.14 C ATOM 396 NZ LYS A 27 20.035 -7.286 -0.165 1.00 8.86 N ATOM 0 H LYS A 27 18.109 -1.617 0.618 1.00 5.08 H new ATOM 0 HA LYS A 27 15.711 -2.867 1.844 1.00 5.48 H new ATOM 0 HB2 LYS A 27 18.564 -3.919 1.670 1.00 6.20 H new ATOM 0 HB3 LYS A 27 17.221 -4.719 2.464 1.00 6.20 H new ATOM 0 HG2 LYS A 27 16.046 -4.922 0.278 1.00 6.72 H new ATOM 0 HG3 LYS A 27 17.383 -4.116 -0.518 1.00 6.72 H new ATOM 0 HD2 LYS A 27 17.571 -6.768 0.983 1.00 7.40 H new ATOM 0 HD3 LYS A 27 17.490 -6.599 -0.759 1.00 7.40 H new ATOM 0 HE2 LYS A 27 19.641 -5.272 -0.688 1.00 8.14 H new ATOM 0 HE3 LYS A 27 19.733 -5.569 1.037 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 21.066 -7.150 -0.196 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 19.797 -7.954 0.595 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 19.708 -7.667 -1.076 1.00 8.86 H new ATOM 410 N ALA A 28 16.281 -1.575 3.921 1.00 5.50 N ATOM 411 CA ALA A 28 16.586 -0.900 5.184 1.00 5.97 C ATOM 412 C ALA A 28 15.346 -0.872 6.066 1.00 6.23 C ATOM 413 O ALA A 28 14.273 -1.312 5.640 1.00 6.48 O ATOM 414 CB ALA A 28 17.096 0.523 4.932 1.00 6.27 C ATOM 0 H ALA A 28 15.286 -1.622 3.702 1.00 5.50 H new ATOM 0 HA ALA A 28 17.373 -1.454 5.695 1.00 5.97 H new ATOM 0 HB1 ALA A 28 17.316 1.005 5.885 1.00 6.27 H new ATOM 0 HB2 ALA A 28 18.002 0.483 4.328 1.00 6.27 H new ATOM 0 HB3 ALA A 28 16.333 1.095 4.404 1.00 6.27 H new ATOM 420 N LYS A 29 15.489 -0.351 7.276 1.00 6.51 N ATOM 421 CA LYS A 29 14.381 -0.262 8.218 1.00 7.02 C ATOM 422 C LYS A 29 13.369 0.815 7.803 1.00 6.93 C ATOM 423 O LYS A 29 13.662 2.009 7.831 1.00 7.10 O ATOM 424 CB LYS A 29 14.877 -0.043 9.677 1.00 7.79 C ATOM 425 CG LYS A 29 15.770 1.193 9.899 1.00 8.36 C ATOM 426 CD LYS A 29 16.219 1.330 11.364 1.00 9.07 C ATOM 427 CE LYS A 29 15.045 1.587 12.331 1.00 9.70 C ATOM 428 NZ LYS A 29 14.358 2.884 12.070 1.00 10.01 N ATOM 0 H LYS A 29 16.370 0.020 7.632 1.00 6.51 H new ATOM 0 HA LYS A 29 13.865 -1.222 8.193 1.00 7.02 H new ATOM 0 HB2 LYS A 29 14.007 0.038 10.329 1.00 7.79 H new ATOM 0 HB3 LYS A 29 15.429 -0.929 9.991 1.00 7.79 H new ATOM 0 HG2 LYS A 29 16.648 1.125 9.257 1.00 8.36 H new ATOM 0 HG3 LYS A 29 15.226 2.090 9.602 1.00 8.36 H new ATOM 0 HD2 LYS A 29 16.739 0.421 11.666 1.00 9.07 H new ATOM 0 HD3 LYS A 29 16.935 2.148 11.444 1.00 9.07 H new ATOM 0 HE2 LYS A 29 14.324 0.775 12.244 1.00 9.70 H new ATOM 0 HE3 LYS A 29 15.415 1.576 13.356 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 13.634 3.046 12.799 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 15.054 3.657 12.095 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 13.906 2.855 11.134 1.00 10.01 H new ATOM 442 N ALA A 30 12.202 0.382 7.414 1.00 7.00 N ATOM 443 CA ALA A 30 11.153 1.265 7.011 1.00 7.22 C ATOM 444 C ALA A 30 9.812 0.654 7.347 1.00 7.17 C ATOM 445 O ALA A 30 9.723 -0.543 7.664 1.00 7.27 O ATOM 446 CB ALA A 30 11.243 1.564 5.516 1.00 7.43 C ATOM 0 H ALA A 30 11.954 -0.606 7.369 1.00 7.00 H new ATOM 0 HA ALA A 30 11.260 2.206 7.551 1.00 7.22 H new ATOM 0 HB1 ALA A 30 10.435 2.238 5.230 1.00 7.43 H new ATOM 0 HB2 ALA A 30 12.202 2.033 5.296 1.00 7.43 H new ATOM 0 HB3 ALA A 30 11.156 0.635 4.953 1.00 7.43 H new ATOM 452 N ALA A 31 8.778 1.469 7.283 1.00 7.30 N ATOM 453 CA ALA A 31 7.420 1.029 7.575 1.00 7.49 C ATOM 454 C ALA A 31 6.743 0.493 6.319 1.00 7.26 C ATOM 455 O ALA A 31 5.744 -0.245 6.400 1.00 7.29 O ATOM 456 CB ALA A 31 6.611 2.176 8.155 1.00 8.16 C ATOM 0 H ALA A 31 8.851 2.454 7.028 1.00 7.30 H new ATOM 0 HA ALA A 31 7.471 0.224 8.308 1.00 7.49 H new ATOM 0 HB1 ALA A 31 5.598 1.835 8.369 1.00 8.16 H new ATOM 0 HB2 ALA A 31 7.080 2.522 9.076 1.00 8.16 H new ATOM 0 HB3 ALA A 31 6.574 2.995 7.437 1.00 8.16 H new ATOM 462 N GLY A 32 7.301 0.868 5.161 1.00 7.31 N ATOM 463 CA GLY A 32 6.757 0.465 3.872 1.00 7.37 C ATOM 464 C GLY A 32 5.377 1.042 3.647 1.00 7.39 C ATOM 465 O GLY A 32 5.221 2.270 3.538 1.00 7.69 O ATOM 0 H GLY A 32 8.134 1.453 5.098 1.00 7.31 H new ATOM 0 HA2 GLY A 32 7.424 0.794 3.075 1.00 7.37 H new ATOM 0 HA3 GLY A 32 6.711 -0.623 3.820 1.00 7.37 H new ATOM 469 N LYS A 33 4.388 0.154 3.571 1.00 7.33 N ATOM 470 CA LYS A 33 2.945 0.480 3.442 1.00 7.58 C ATOM 471 C LYS A 33 2.555 1.004 2.051 1.00 7.81 C ATOM 472 O LYS A 33 1.645 0.465 1.423 1.00 8.09 O ATOM 473 CB LYS A 33 2.446 1.412 4.580 1.00 7.70 C ATOM 474 CG LYS A 33 2.618 0.835 5.999 1.00 7.71 C ATOM 475 CD LYS A 33 1.854 -0.477 6.169 1.00 8.10 C ATOM 476 CE LYS A 33 2.000 -1.060 7.568 1.00 8.68 C ATOM 477 NZ LYS A 33 3.406 -1.455 7.894 1.00 8.86 N ATOM 0 H LYS A 33 4.562 -0.851 3.597 1.00 7.33 H new ATOM 0 HA LYS A 33 2.423 -0.470 3.555 1.00 7.58 H new ATOM 0 HB2 LYS A 33 2.982 2.359 4.519 1.00 7.70 H new ATOM 0 HB3 LYS A 33 1.391 1.632 4.416 1.00 7.70 H new ATOM 0 HG2 LYS A 33 3.677 0.669 6.199 1.00 7.71 H new ATOM 0 HG3 LYS A 33 2.265 1.560 6.732 1.00 7.71 H new ATOM 0 HD2 LYS A 33 0.798 -0.309 5.957 1.00 8.10 H new ATOM 0 HD3 LYS A 33 2.214 -1.201 5.438 1.00 8.10 H new ATOM 0 HE2 LYS A 33 1.656 -0.328 8.298 1.00 8.68 H new ATOM 0 HE3 LYS A 33 1.353 -1.932 7.661 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 3.456 -2.486 8.022 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 4.035 -1.172 7.116 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 3.705 -0.982 8.771 1.00 8.86 H new ATOM 491 N GLY A 34 3.238 2.034 1.591 1.00 7.92 N ATOM 492 CA GLY A 34 2.959 2.603 0.290 1.00 8.28 C ATOM 493 C GLY A 34 2.212 3.923 0.377 1.00 8.23 C ATOM 494 O GLY A 34 1.011 3.952 0.633 1.00 8.16 O ATOM 0 H GLY A 34 3.992 2.494 2.102 1.00 7.92 H new ATOM 0 HA2 GLY A 34 3.897 2.755 -0.244 1.00 8.28 H new ATOM 0 HA3 GLY A 34 2.371 1.895 -0.294 1.00 8.28 H new ATOM 498 N SER A 35 2.934 5.016 0.174 1.00 8.52 N ATOM 499 CA SER A 35 2.364 6.345 0.206 1.00 8.67 C ATOM 500 C SER A 35 3.395 7.344 -0.337 1.00 8.96 C ATOM 501 O SER A 35 4.594 7.257 0.000 1.00 9.53 O ATOM 502 CB SER A 35 1.965 6.712 1.659 1.00 8.87 C ATOM 503 OG SER A 35 1.317 7.976 1.729 1.00 8.86 O ATOM 0 H SER A 35 3.936 5.000 -0.018 1.00 8.52 H new ATOM 0 HA SER A 35 1.469 6.380 -0.415 1.00 8.67 H new ATOM 0 HB2 SER A 35 1.304 5.943 2.059 1.00 8.87 H new ATOM 0 HB3 SER A 35 2.856 6.726 2.287 1.00 8.87 H new ATOM 0 HG SER A 35 1.080 8.171 2.660 1.00 8.86 H new ATOM 509 N GLN A 36 2.954 8.246 -1.192 1.00 8.75 N ATOM 510 CA GLN A 36 3.807 9.266 -1.770 1.00 9.17 C ATOM 511 C GLN A 36 2.974 10.477 -2.140 1.00 8.70 C ATOM 512 O GLN A 36 1.826 10.325 -2.545 1.00 8.58 O ATOM 513 CB GLN A 36 4.578 8.727 -2.994 1.00 10.09 C ATOM 514 CG GLN A 36 3.707 8.123 -4.088 1.00 10.66 C ATOM 515 CD GLN A 36 4.528 7.642 -5.258 1.00 11.45 C ATOM 516 OE1 GLN A 36 4.980 6.498 -5.286 1.00 11.91 O ATOM 517 NE2 GLN A 36 4.722 8.497 -6.235 1.00 11.81 N ATOM 0 H GLN A 36 1.985 8.292 -1.508 1.00 8.75 H new ATOM 0 HA GLN A 36 4.549 9.561 -1.028 1.00 9.17 H new ATOM 0 HB2 GLN A 36 5.163 9.541 -3.423 1.00 10.09 H new ATOM 0 HB3 GLN A 36 5.286 7.971 -2.655 1.00 10.09 H new ATOM 0 HG2 GLN A 36 3.135 7.290 -3.679 1.00 10.66 H new ATOM 0 HG3 GLN A 36 2.987 8.866 -4.431 1.00 10.66 H new ATOM 0 HE21 GLN A 36 4.331 9.437 -6.175 1.00 11.81 H new ATOM 0 HE22 GLN A 36 5.264 8.221 -7.054 1.00 11.81 H new ATOM 526 N LEU A 37 3.544 11.673 -1.934 1.00 8.63 N ATOM 527 CA LEU A 37 2.907 12.987 -2.240 1.00 8.33 C ATOM 528 C LEU A 37 1.746 13.340 -1.299 1.00 7.59 C ATOM 529 O LEU A 37 1.664 14.471 -0.822 1.00 7.53 O ATOM 530 CB LEU A 37 2.499 13.170 -3.735 1.00 8.94 C ATOM 531 CG LEU A 37 3.644 13.363 -4.783 1.00 9.62 C ATOM 532 CD1 LEU A 37 4.529 12.136 -4.928 1.00 10.08 C ATOM 533 CD2 LEU A 37 3.068 13.774 -6.135 1.00 9.94 C ATOM 0 H LEU A 37 4.481 11.769 -1.542 1.00 8.63 H new ATOM 0 HA LEU A 37 3.704 13.707 -2.051 1.00 8.33 H new ATOM 0 HB2 LEU A 37 1.916 12.299 -4.032 1.00 8.94 H new ATOM 0 HB3 LEU A 37 1.837 14.034 -3.799 1.00 8.94 H new ATOM 0 HG LEU A 37 4.282 14.163 -4.406 1.00 9.62 H new ATOM 0 HD11 LEU A 37 5.304 12.332 -5.669 1.00 10.08 H new ATOM 0 HD12 LEU A 37 4.993 11.907 -3.969 1.00 10.08 H new ATOM 0 HD13 LEU A 37 3.925 11.288 -5.250 1.00 10.08 H new ATOM 0 HD21 LEU A 37 3.879 13.904 -6.852 1.00 9.94 H new ATOM 0 HD22 LEU A 37 2.389 13.000 -6.492 1.00 9.94 H new ATOM 0 HD23 LEU A 37 2.524 14.713 -6.029 1.00 9.94 H new ATOM 545 N GLU A 38 0.877 12.377 -1.050 1.00 7.28 N ATOM 546 CA GLU A 38 -0.286 12.545 -0.196 1.00 6.85 C ATOM 547 C GLU A 38 0.125 12.638 1.281 1.00 6.29 C ATOM 548 O GLU A 38 -0.032 13.676 1.914 1.00 6.53 O ATOM 549 CB GLU A 38 -1.238 11.362 -0.392 1.00 7.02 C ATOM 550 CG GLU A 38 -1.690 11.167 -1.827 1.00 7.23 C ATOM 551 CD GLU A 38 -2.388 12.386 -2.387 1.00 7.58 C ATOM 552 OE1 GLU A 38 -3.587 12.554 -2.126 1.00 7.82 O ATOM 553 OE2 GLU A 38 -1.738 13.190 -3.093 1.00 7.86 O ATOM 0 H GLU A 38 0.961 11.439 -1.442 1.00 7.28 H new ATOM 0 HA GLU A 38 -0.787 13.473 -0.472 1.00 6.85 H new ATOM 0 HB2 GLU A 38 -0.746 10.452 -0.050 1.00 7.02 H new ATOM 0 HB3 GLU A 38 -2.115 11.506 0.238 1.00 7.02 H new ATOM 0 HG2 GLU A 38 -0.826 10.931 -2.447 1.00 7.23 H new ATOM 0 HG3 GLU A 38 -2.363 10.311 -1.879 1.00 7.23 H new ATOM 560 N ALA A 39 0.644 11.517 1.817 1.00 5.86 N ATOM 561 CA ALA A 39 1.106 11.399 3.227 1.00 5.57 C ATOM 562 C ALA A 39 -0.058 11.489 4.238 1.00 5.31 C ATOM 563 O ALA A 39 0.163 11.639 5.442 1.00 5.56 O ATOM 564 CB ALA A 39 2.203 12.435 3.552 1.00 5.92 C ATOM 0 H ALA A 39 0.759 10.655 1.284 1.00 5.86 H new ATOM 0 HA ALA A 39 1.541 10.404 3.328 1.00 5.57 H new ATOM 0 HB1 ALA A 39 2.516 12.320 4.590 1.00 5.92 H new ATOM 0 HB2 ALA A 39 3.058 12.278 2.895 1.00 5.92 H new ATOM 0 HB3 ALA A 39 1.810 13.440 3.401 1.00 5.92 H new ATOM 570 N ASN A 40 -1.286 11.363 3.749 1.00 5.21 N ATOM 571 CA ASN A 40 -2.465 11.425 4.621 1.00 5.30 C ATOM 572 C ASN A 40 -2.665 10.121 5.374 1.00 4.90 C ATOM 573 O ASN A 40 -2.766 9.064 4.767 1.00 4.87 O ATOM 574 CB ASN A 40 -3.759 11.770 3.847 1.00 5.95 C ATOM 575 CG ASN A 40 -3.770 13.160 3.257 1.00 6.36 C ATOM 576 OD1 ASN A 40 -4.143 14.118 3.932 1.00 6.54 O ATOM 577 ND2 ASN A 40 -3.436 13.279 1.992 1.00 6.88 N ATOM 0 H ASN A 40 -1.496 11.218 2.761 1.00 5.21 H new ATOM 0 HA ASN A 40 -2.269 12.229 5.331 1.00 5.30 H new ATOM 0 HB2 ASN A 40 -3.894 11.045 3.045 1.00 5.95 H new ATOM 0 HB3 ASN A 40 -4.611 11.665 4.519 1.00 5.95 H new ATOM 0 HD21 ASN A 40 -3.481 14.190 1.536 1.00 6.88 H new ATOM 0 HD22 ASN A 40 -3.131 12.460 1.466 1.00 6.88 H new ATOM 584 N LYS A 41 -2.703 10.202 6.690 1.00 4.91 N ATOM 585 CA LYS A 41 -2.929 9.041 7.536 1.00 4.79 C ATOM 586 C LYS A 41 -3.861 9.449 8.698 1.00 5.11 C ATOM 587 O LYS A 41 -3.965 8.786 9.734 1.00 5.52 O ATOM 588 CB LYS A 41 -1.567 8.477 8.025 1.00 5.30 C ATOM 589 CG LYS A 41 -1.662 7.244 8.918 1.00 6.03 C ATOM 590 CD LYS A 41 -0.300 6.710 9.307 1.00 6.55 C ATOM 591 CE LYS A 41 -0.415 5.630 10.383 1.00 7.33 C ATOM 592 NZ LYS A 41 -1.252 4.465 9.962 1.00 7.95 N ATOM 0 H LYS A 41 -2.578 11.074 7.205 1.00 4.91 H new ATOM 0 HA LYS A 41 -3.419 8.241 6.981 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -0.960 8.230 7.154 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -1.041 9.261 8.569 1.00 5.30 H new ATOM 0 HG2 LYS A 41 -2.223 7.493 9.819 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -2.221 6.465 8.400 1.00 6.03 H new ATOM 0 HD2 LYS A 41 0.197 6.300 8.428 1.00 6.55 H new ATOM 0 HD3 LYS A 41 0.322 7.527 9.673 1.00 6.55 H new ATOM 0 HE2 LYS A 41 0.583 5.277 10.642 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -0.842 6.069 11.285 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -1.250 3.746 10.714 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -2.227 4.782 9.790 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -0.862 4.055 9.089 1.00 7.95 H new ATOM 606 N LYS A 42 -4.566 10.532 8.490 1.00 5.29 N ATOM 607 CA LYS A 42 -5.523 11.031 9.482 1.00 6.01 C ATOM 608 C LYS A 42 -6.717 10.089 9.578 1.00 6.11 C ATOM 609 O LYS A 42 -7.011 9.358 8.624 1.00 6.74 O ATOM 610 CB LYS A 42 -5.981 12.458 9.138 1.00 6.24 C ATOM 611 CG LYS A 42 -6.622 12.603 7.760 1.00 6.53 C ATOM 612 CD LYS A 42 -7.030 14.041 7.474 1.00 7.13 C ATOM 613 CE LYS A 42 -7.640 14.171 6.086 1.00 7.68 C ATOM 614 NZ LYS A 42 -8.038 15.557 5.769 1.00 8.17 N ATOM 0 H LYS A 42 -4.505 11.097 7.643 1.00 5.29 H new ATOM 0 HA LYS A 42 -5.027 11.066 10.452 1.00 6.01 H new ATOM 0 HB2 LYS A 42 -6.694 12.789 9.893 1.00 6.24 H new ATOM 0 HB3 LYS A 42 -5.122 13.126 9.197 1.00 6.24 H new ATOM 0 HG2 LYS A 42 -5.922 12.265 6.996 1.00 6.53 H new ATOM 0 HG3 LYS A 42 -7.498 11.957 7.697 1.00 6.53 H new ATOM 0 HD2 LYS A 42 -7.748 14.374 8.223 1.00 7.13 H new ATOM 0 HD3 LYS A 42 -6.160 14.692 7.555 1.00 7.13 H new ATOM 0 HE2 LYS A 42 -6.921 13.824 5.343 1.00 7.68 H new ATOM 0 HE3 LYS A 42 -8.512 13.521 6.014 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 -8.447 15.591 4.814 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 -8.744 15.882 6.460 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 -7.203 16.176 5.810 1.00 8.17 H new ATOM 628 N ALA A 43 -7.363 10.075 10.748 1.00 5.71 N ATOM 629 CA ALA A 43 -8.540 9.226 11.033 1.00 5.93 C ATOM 630 C ALA A 43 -8.206 7.717 11.054 1.00 5.58 C ATOM 631 O ALA A 43 -9.111 6.884 11.116 1.00 5.78 O ATOM 632 CB ALA A 43 -9.701 9.528 10.073 1.00 5.86 C ATOM 0 H ALA A 43 -7.085 10.657 11.538 1.00 5.71 H new ATOM 0 HA ALA A 43 -8.862 9.484 12.042 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -10.548 8.885 10.313 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -9.997 10.572 10.177 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -9.383 9.341 9.047 1.00 5.86 H new ATOM 638 N MET A 44 -6.896 7.387 11.016 1.00 5.27 N ATOM 639 CA MET A 44 -6.407 5.986 11.054 1.00 5.14 C ATOM 640 C MET A 44 -6.674 5.244 9.746 1.00 4.41 C ATOM 641 O MET A 44 -6.551 4.028 9.674 1.00 4.57 O ATOM 642 CB MET A 44 -6.925 5.194 12.283 1.00 5.83 C ATOM 643 CG MET A 44 -6.392 5.698 13.623 1.00 6.40 C ATOM 644 SD MET A 44 -6.996 4.726 15.026 1.00 6.97 S ATOM 645 CE MET A 44 -6.142 5.522 16.396 1.00 7.62 C ATOM 0 H MET A 44 -6.149 8.079 10.958 1.00 5.27 H new ATOM 0 HA MET A 44 -5.325 6.054 11.170 1.00 5.14 H new ATOM 0 HB2 MET A 44 -8.014 5.239 12.298 1.00 5.83 H new ATOM 0 HB3 MET A 44 -6.651 4.145 12.167 1.00 5.83 H new ATOM 0 HG2 MET A 44 -5.302 5.670 13.609 1.00 6.40 H new ATOM 0 HG3 MET A 44 -6.683 6.740 13.756 1.00 6.40 H new ATOM 0 HE1 MET A 44 -6.415 5.031 17.330 1.00 7.62 H new ATOM 0 HE2 MET A 44 -5.065 5.445 16.247 1.00 7.62 H new ATOM 0 HE3 MET A 44 -6.428 6.573 16.442 1.00 7.62 H new ATOM 655 N SER A 45 -6.957 6.009 8.703 1.00 3.91 N ATOM 656 CA SER A 45 -7.193 5.531 7.365 1.00 3.31 C ATOM 657 C SER A 45 -8.239 4.405 7.214 1.00 3.15 C ATOM 658 O SER A 45 -9.435 4.650 7.311 1.00 3.30 O ATOM 659 CB SER A 45 -5.879 5.260 6.632 1.00 3.27 C ATOM 660 OG SER A 45 -5.002 4.429 7.391 1.00 3.82 O ATOM 0 H SER A 45 -7.030 7.024 8.778 1.00 3.91 H new ATOM 0 HA SER A 45 -7.691 6.358 6.859 1.00 3.31 H new ATOM 0 HB2 SER A 45 -6.090 4.784 5.674 1.00 3.27 H new ATOM 0 HB3 SER A 45 -5.384 6.206 6.415 1.00 3.27 H new ATOM 0 HG SER A 45 -4.913 3.558 6.950 1.00 3.82 H new ATOM 666 N ILE A 46 -7.781 3.193 6.994 1.00 3.06 N ATOM 667 CA ILE A 46 -8.681 2.049 6.818 1.00 2.90 C ATOM 668 C ILE A 46 -8.429 1.027 7.914 1.00 3.39 C ATOM 669 O ILE A 46 -7.288 0.851 8.318 1.00 3.76 O ATOM 670 CB ILE A 46 -8.470 1.366 5.428 1.00 2.48 C ATOM 671 CG1 ILE A 46 -8.711 2.362 4.287 1.00 2.40 C ATOM 672 CG2 ILE A 46 -9.359 0.128 5.262 1.00 2.38 C ATOM 673 CD1 ILE A 46 -8.535 1.765 2.897 1.00 2.53 C ATOM 0 H ILE A 46 -6.789 2.962 6.931 1.00 3.06 H new ATOM 0 HA ILE A 46 -9.705 2.418 6.872 1.00 2.90 H new ATOM 0 HB ILE A 46 -7.433 1.034 5.384 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -9.721 2.762 4.374 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -8.025 3.202 4.400 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -9.183 -0.318 4.283 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -9.121 -0.598 6.040 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -10.406 0.418 5.345 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -8.722 2.532 2.145 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -7.517 1.391 2.788 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -9.239 0.944 2.762 1.00 2.53 H new ATOM 685 N GLN A 47 -9.483 0.371 8.388 1.00 3.62 N ATOM 686 CA GLN A 47 -9.356 -0.656 9.405 1.00 4.26 C ATOM 687 C GLN A 47 -9.721 -1.999 8.724 1.00 4.05 C ATOM 688 O GLN A 47 -10.699 -2.079 7.993 1.00 3.59 O ATOM 689 CB GLN A 47 -10.342 -0.385 10.560 1.00 4.89 C ATOM 690 CG GLN A 47 -9.843 -0.781 11.965 1.00 5.73 C ATOM 691 CD GLN A 47 -8.766 0.173 12.492 1.00 6.34 C ATOM 692 OE1 GLN A 47 -7.591 -0.015 12.282 1.00 6.66 O ATOM 693 NE2 GLN A 47 -9.191 1.208 13.183 1.00 6.79 N ATOM 0 H GLN A 47 -10.440 0.537 8.078 1.00 3.62 H new ATOM 0 HA GLN A 47 -8.347 -0.674 9.816 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -10.585 0.678 10.566 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -11.268 -0.922 10.358 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -10.685 -0.792 12.657 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -9.443 -1.794 11.933 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -10.190 1.339 13.343 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -8.522 1.880 13.559 1.00 6.79 H new ATOM 702 N CYS A 48 -8.915 -3.005 8.955 1.00 4.51 N ATOM 703 CA CYS A 48 -9.035 -4.320 8.334 1.00 4.51 C ATOM 704 C CYS A 48 -10.294 -5.066 8.757 1.00 4.78 C ATOM 705 O CYS A 48 -10.614 -5.140 9.940 1.00 5.43 O ATOM 706 CB CYS A 48 -7.804 -5.146 8.685 1.00 5.18 C ATOM 707 SG CYS A 48 -7.682 -6.705 7.799 1.00 5.33 S ATOM 0 H CYS A 48 -8.128 -2.939 9.600 1.00 4.51 H new ATOM 0 HA CYS A 48 -9.109 -4.169 7.257 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -6.913 -4.554 8.479 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -7.811 -5.350 9.756 1.00 5.18 H new ATOM 0 HG CYS A 48 -6.670 -6.663 6.985 1.00 5.33 H new ATOM 713 N LYS A 49 -10.951 -5.663 7.771 1.00 4.37 N ATOM 714 CA LYS A 49 -12.204 -6.408 7.923 1.00 4.60 C ATOM 715 C LYS A 49 -11.978 -7.658 8.810 1.00 5.45 C ATOM 716 O LYS A 49 -12.899 -8.139 9.455 1.00 5.91 O ATOM 717 CB LYS A 49 -12.657 -6.869 6.489 1.00 4.03 C ATOM 718 CG LYS A 49 -14.155 -7.158 6.231 1.00 4.13 C ATOM 719 CD LYS A 49 -14.783 -8.238 7.121 1.00 4.80 C ATOM 720 CE LYS A 49 -14.223 -9.635 6.882 1.00 5.08 C ATOM 721 NZ LYS A 49 -14.840 -10.616 7.819 1.00 5.64 N ATOM 0 H LYS A 49 -10.618 -5.644 6.807 1.00 4.37 H new ATOM 0 HA LYS A 49 -12.961 -5.780 8.393 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -12.344 -6.100 5.782 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -12.101 -7.773 6.243 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -14.714 -6.232 6.365 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -14.275 -7.455 5.189 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -14.629 -7.969 8.166 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -15.860 -8.254 6.951 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -14.414 -9.938 5.852 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -13.141 -9.627 7.016 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -14.446 -11.562 7.641 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -14.636 -10.335 8.799 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -15.869 -10.637 7.672 1.00 5.64 H new ATOM 735 N VAL A 50 -10.741 -8.172 8.828 1.00 5.76 N ATOM 736 CA VAL A 50 -10.444 -9.418 9.554 1.00 6.62 C ATOM 737 C VAL A 50 -10.599 -9.247 11.053 1.00 7.31 C ATOM 738 O VAL A 50 -11.010 -10.172 11.755 1.00 7.94 O ATOM 739 CB VAL A 50 -9.008 -9.976 9.246 1.00 6.99 C ATOM 740 CG1 VAL A 50 -8.754 -10.035 7.744 1.00 6.73 C ATOM 741 CG2 VAL A 50 -7.890 -9.202 9.973 1.00 7.56 C ATOM 0 H VAL A 50 -9.939 -7.753 8.356 1.00 5.76 H new ATOM 0 HA VAL A 50 -11.176 -10.142 9.195 1.00 6.62 H new ATOM 0 HB VAL A 50 -8.980 -10.992 9.640 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -7.753 -10.425 7.559 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -9.490 -10.689 7.276 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -8.837 -9.034 7.321 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -6.923 -9.636 9.719 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -7.911 -8.157 9.664 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -8.045 -9.265 11.050 1.00 7.56 H new ATOM 751 N CYS A 51 -10.291 -8.062 11.528 1.00 7.22 N ATOM 752 CA CYS A 51 -10.284 -7.782 12.933 1.00 7.91 C ATOM 753 C CYS A 51 -10.464 -6.304 13.186 1.00 7.66 C ATOM 754 O CYS A 51 -11.575 -5.849 13.392 1.00 7.62 O ATOM 755 CB CYS A 51 -8.989 -8.317 13.604 1.00 8.65 C ATOM 756 SG CYS A 51 -8.840 -10.117 13.646 1.00 9.28 S ATOM 0 H CYS A 51 -10.038 -7.266 10.942 1.00 7.22 H new ATOM 0 HA CYS A 51 -11.127 -8.303 13.386 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -8.128 -7.908 13.075 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -8.944 -7.940 14.626 1.00 8.65 H new ATOM 0 HG CYS A 51 -9.791 -10.648 12.937 1.00 9.28 H new ATOM 762 N MET A 52 -9.365 -5.547 13.109 1.00 7.53 N ATOM 763 CA MET A 52 -9.396 -4.097 13.366 1.00 7.36 C ATOM 764 C MET A 52 -7.979 -3.544 13.196 1.00 7.19 C ATOM 765 O MET A 52 -7.474 -2.812 14.023 1.00 7.51 O ATOM 766 CB MET A 52 -9.907 -3.840 14.803 1.00 8.14 C ATOM 767 CG MET A 52 -10.156 -2.373 15.158 1.00 8.25 C ATOM 768 SD MET A 52 -10.829 -2.160 16.829 1.00 9.18 S ATOM 769 CE MET A 52 -9.514 -2.870 17.826 1.00 9.44 C ATOM 0 H MET A 52 -8.442 -5.910 12.871 1.00 7.53 H new ATOM 0 HA MET A 52 -10.067 -3.600 12.666 1.00 7.36 H new ATOM 0 HB2 MET A 52 -10.835 -4.393 14.945 1.00 8.14 H new ATOM 0 HB3 MET A 52 -9.182 -4.249 15.507 1.00 8.14 H new ATOM 0 HG2 MET A 52 -9.221 -1.820 15.075 1.00 8.25 H new ATOM 0 HG3 MET A 52 -10.848 -1.941 14.435 1.00 8.25 H new ATOM 0 HE1 MET A 52 -9.609 -2.522 18.855 1.00 9.44 H new ATOM 0 HE2 MET A 52 -9.586 -3.957 17.803 1.00 9.44 H new ATOM 0 HE3 MET A 52 -8.548 -2.562 17.426 1.00 9.44 H new ATOM 779 N GLN A 53 -7.340 -3.919 12.116 1.00 6.77 N ATOM 780 CA GLN A 53 -5.949 -3.484 11.854 1.00 6.78 C ATOM 781 C GLN A 53 -6.012 -2.376 10.857 1.00 5.99 C ATOM 782 O GLN A 53 -7.064 -2.049 10.453 1.00 5.51 O ATOM 783 CB GLN A 53 -5.148 -4.654 11.320 1.00 7.00 C ATOM 784 CG GLN A 53 -5.290 -5.865 12.205 1.00 7.73 C ATOM 785 CD GLN A 53 -4.799 -5.615 13.622 1.00 8.54 C ATOM 786 OE1 GLN A 53 -3.631 -5.833 13.927 1.00 9.11 O ATOM 787 NE2 GLN A 53 -5.678 -5.155 14.481 1.00 8.65 N ATOM 0 H GLN A 53 -7.739 -4.520 11.395 1.00 6.77 H new ATOM 0 HA GLN A 53 -5.461 -3.135 12.764 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -5.483 -4.897 10.312 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -4.097 -4.375 11.248 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -6.337 -6.167 12.235 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -4.731 -6.694 11.772 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -6.640 -4.987 14.186 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -5.399 -4.965 15.444 1.00 8.65 H new ATOM 796 N THR A 54 -4.933 -1.828 10.421 1.00 5.92 N ATOM 797 CA THR A 54 -5.070 -0.694 9.541 1.00 5.23 C ATOM 798 C THR A 54 -4.326 -0.853 8.223 1.00 5.04 C ATOM 799 O THR A 54 -3.348 -1.608 8.110 1.00 5.63 O ATOM 800 CB THR A 54 -4.695 0.644 10.254 1.00 5.45 C ATOM 801 OG1 THR A 54 -4.914 1.780 9.403 1.00 4.93 O ATOM 802 CG2 THR A 54 -3.253 0.630 10.651 1.00 5.93 C ATOM 0 H THR A 54 -3.980 -2.120 10.639 1.00 5.92 H new ATOM 0 HA THR A 54 -6.128 -0.650 9.283 1.00 5.23 H new ATOM 0 HB THR A 54 -5.335 0.728 11.132 1.00 5.45 H new ATOM 0 HG1 THR A 54 -5.761 1.670 8.922 1.00 4.93 H new ATOM 0 HG21 THR A 54 -3.003 1.568 11.147 1.00 5.93 H new ATOM 0 HG22 THR A 54 -3.071 -0.201 11.333 1.00 5.93 H new ATOM 0 HG23 THR A 54 -2.632 0.513 9.763 1.00 5.93 H new ATOM 810 N PHE A 55 -4.834 -0.151 7.239 1.00 4.34 N ATOM 811 CA PHE A 55 -4.306 -0.083 5.913 1.00 4.27 C ATOM 812 C PHE A 55 -4.371 1.345 5.472 1.00 3.93 C ATOM 813 O PHE A 55 -5.281 2.070 5.877 1.00 3.54 O ATOM 814 CB PHE A 55 -5.125 -0.922 4.936 1.00 3.91 C ATOM 815 CG PHE A 55 -5.027 -2.391 5.177 1.00 4.29 C ATOM 816 CD1 PHE A 55 -3.915 -3.109 4.779 1.00 4.83 C ATOM 817 CD2 PHE A 55 -6.053 -3.051 5.833 1.00 4.24 C ATOM 818 CE1 PHE A 55 -3.851 -4.464 5.019 1.00 5.27 C ATOM 819 CE2 PHE A 55 -5.995 -4.399 6.063 1.00 4.63 C ATOM 820 CZ PHE A 55 -4.805 -5.118 5.579 1.00 5.13 C ATOM 0 H PHE A 55 -5.673 0.417 7.357 1.00 4.34 H new ATOM 0 HA PHE A 55 -3.286 -0.467 5.920 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -6.171 -0.621 5.001 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -4.794 -0.707 3.920 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -3.098 -2.609 4.281 1.00 4.83 H new ATOM 0 HD2 PHE A 55 -6.914 -2.492 6.169 1.00 4.24 H new ATOM 0 HE1 PHE A 55 -2.961 -5.000 4.724 1.00 5.27 H new ATOM 0 HE2 PHE A 55 -6.791 -4.915 6.579 1.00 4.63 H new ATOM 0 HZ PHE A 55 -4.734 -6.190 5.694 1.00 5.13 H new ATOM 830 N ILE A 56 -3.435 1.754 4.661 1.00 4.24 N ATOM 831 CA ILE A 56 -3.408 3.101 4.183 1.00 4.10 C ATOM 832 C ILE A 56 -4.519 3.294 3.134 1.00 3.68 C ATOM 833 O ILE A 56 -4.689 2.473 2.238 1.00 3.75 O ATOM 834 CB ILE A 56 -1.997 3.474 3.614 1.00 4.78 C ATOM 835 CG1 ILE A 56 -1.917 4.945 3.195 1.00 4.73 C ATOM 836 CG2 ILE A 56 -1.569 2.549 2.478 1.00 5.23 C ATOM 837 CD1 ILE A 56 -2.112 5.916 4.344 1.00 4.53 C ATOM 0 H ILE A 56 -2.676 1.165 4.317 1.00 4.24 H new ATOM 0 HA ILE A 56 -3.596 3.779 5.015 1.00 4.10 H new ATOM 0 HB ILE A 56 -1.289 3.329 4.430 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -0.947 5.131 2.734 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -2.673 5.139 2.434 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -0.585 2.848 2.117 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -1.526 1.522 2.841 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -2.290 2.616 1.663 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -2.042 6.938 3.972 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -3.094 5.758 4.791 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -1.340 5.750 5.096 1.00 4.53 H new ATOM 849 N CYS A 57 -5.284 4.361 3.274 1.00 3.44 N ATOM 850 CA CYS A 57 -6.409 4.622 2.388 1.00 3.38 C ATOM 851 C CYS A 57 -5.956 5.102 1.016 1.00 3.93 C ATOM 852 O CYS A 57 -6.729 5.077 0.064 1.00 4.21 O ATOM 853 CB CYS A 57 -7.364 5.629 3.035 1.00 3.28 C ATOM 854 SG CYS A 57 -6.591 7.200 3.480 1.00 4.03 S ATOM 0 H CYS A 57 -5.147 5.067 3.998 1.00 3.44 H new ATOM 0 HA CYS A 57 -6.938 3.682 2.234 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -8.188 5.824 2.349 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -7.794 5.181 3.931 1.00 3.28 H new ATOM 0 HG CYS A 57 -5.329 7.008 3.727 1.00 4.03 H new ATOM 860 N THR A 58 -4.702 5.581 0.962 1.00 4.31 N ATOM 861 CA THR A 58 -3.975 6.074 -0.243 1.00 5.03 C ATOM 862 C THR A 58 -4.709 7.192 -1.050 1.00 5.13 C ATOM 863 O THR A 58 -4.152 7.733 -2.004 1.00 5.79 O ATOM 864 CB THR A 58 -3.429 4.916 -1.185 1.00 5.61 C ATOM 865 OG1 THR A 58 -2.545 5.455 -2.181 1.00 6.01 O ATOM 866 CG2 THR A 58 -4.539 4.181 -1.900 1.00 5.89 C ATOM 0 H THR A 58 -4.126 5.642 1.802 1.00 4.31 H new ATOM 0 HA THR A 58 -3.101 6.563 0.186 1.00 5.03 H new ATOM 0 HB THR A 58 -2.904 4.216 -0.535 1.00 5.61 H new ATOM 0 HG1 THR A 58 -2.845 6.354 -2.432 1.00 6.01 H new ATOM 0 HG21 THR A 58 -4.112 3.401 -2.530 1.00 5.89 H new ATOM 0 HG22 THR A 58 -5.208 3.730 -1.167 1.00 5.89 H new ATOM 0 HG23 THR A 58 -5.099 4.881 -2.520 1.00 5.89 H new ATOM 874 N THR A 59 -5.921 7.526 -0.667 1.00 4.66 N ATOM 875 CA THR A 59 -6.680 8.568 -1.306 1.00 4.98 C ATOM 876 C THR A 59 -7.722 9.115 -0.320 1.00 4.60 C ATOM 877 O THR A 59 -7.466 10.090 0.373 1.00 4.34 O ATOM 878 CB THR A 59 -7.380 8.078 -2.629 1.00 5.47 C ATOM 879 OG1 THR A 59 -6.409 7.581 -3.553 1.00 6.19 O ATOM 880 CG2 THR A 59 -8.178 9.199 -3.298 1.00 5.90 C ATOM 0 H THR A 59 -6.409 7.074 0.106 1.00 4.66 H new ATOM 0 HA THR A 59 -5.987 9.359 -1.593 1.00 4.98 H new ATOM 0 HB THR A 59 -8.069 7.281 -2.350 1.00 5.47 H new ATOM 0 HG1 THR A 59 -5.510 7.711 -3.184 1.00 6.19 H new ATOM 0 HG21 THR A 59 -8.645 8.820 -4.207 1.00 5.90 H new ATOM 0 HG22 THR A 59 -8.949 9.555 -2.615 1.00 5.90 H new ATOM 0 HG23 THR A 59 -7.509 10.022 -3.550 1.00 5.90 H new ATOM 888 N SER A 60 -8.874 8.445 -0.225 1.00 4.93 N ATOM 889 CA SER A 60 -9.933 8.907 0.650 1.00 5.08 C ATOM 890 C SER A 60 -10.945 7.803 0.968 1.00 4.91 C ATOM 891 O SER A 60 -12.003 8.078 1.525 1.00 5.44 O ATOM 892 CB SER A 60 -10.638 10.068 -0.010 1.00 5.82 C ATOM 893 OG SER A 60 -10.990 9.738 -1.352 1.00 6.47 O ATOM 0 H SER A 60 -9.087 7.591 -0.741 1.00 4.93 H new ATOM 0 HA SER A 60 -9.483 9.214 1.594 1.00 5.08 H new ATOM 0 HB2 SER A 60 -11.534 10.326 0.555 1.00 5.82 H new ATOM 0 HB3 SER A 60 -9.992 10.946 -0.002 1.00 5.82 H new ATOM 0 HG SER A 60 -11.448 10.499 -1.767 1.00 6.47 H new ATOM 899 N GLU A 61 -10.606 6.564 0.593 1.00 4.39 N ATOM 900 CA GLU A 61 -11.473 5.358 0.769 1.00 4.24 C ATOM 901 C GLU A 61 -12.712 5.433 -0.153 1.00 4.81 C ATOM 902 O GLU A 61 -12.964 4.540 -0.887 1.00 4.86 O ATOM 903 CB GLU A 61 -11.925 5.176 2.237 1.00 4.06 C ATOM 904 CG GLU A 61 -12.730 3.910 2.485 1.00 4.21 C ATOM 905 CD GLU A 61 -13.409 3.905 3.832 1.00 4.27 C ATOM 906 OE1 GLU A 61 -12.713 3.614 4.854 1.00 4.34 O ATOM 907 OE2 GLU A 61 -14.606 4.162 3.905 1.00 4.60 O ATOM 0 H GLU A 61 -9.712 6.351 0.151 1.00 4.39 H new ATOM 0 HA GLU A 61 -10.870 4.493 0.493 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -11.044 5.165 2.879 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -12.523 6.038 2.531 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -13.482 3.804 1.703 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -12.071 3.045 2.412 1.00 4.21 H new ATOM 914 N VAL A 62 -13.458 6.529 -0.118 1.00 5.34 N ATOM 915 CA VAL A 62 -14.669 6.677 -0.927 1.00 6.05 C ATOM 916 C VAL A 62 -14.416 6.463 -2.407 1.00 6.40 C ATOM 917 O VAL A 62 -15.211 5.840 -3.093 1.00 6.81 O ATOM 918 CB VAL A 62 -15.347 8.035 -0.696 1.00 6.66 C ATOM 919 CG1 VAL A 62 -15.779 8.150 0.733 1.00 7.23 C ATOM 920 CG2 VAL A 62 -14.436 9.205 -1.052 1.00 7.09 C ATOM 0 H VAL A 62 -13.246 7.338 0.466 1.00 5.34 H new ATOM 0 HA VAL A 62 -15.346 5.890 -0.593 1.00 6.05 H new ATOM 0 HB VAL A 62 -16.214 8.082 -1.355 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -16.259 9.116 0.891 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -16.484 7.352 0.965 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -14.909 8.067 1.384 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -14.961 10.143 -0.871 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -13.538 9.167 -0.436 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -14.157 9.142 -2.104 1.00 7.09 H new ATOM 930 N LYS A 63 -13.295 6.957 -2.860 1.00 6.35 N ATOM 931 CA LYS A 63 -12.876 6.828 -4.235 1.00 6.86 C ATOM 932 C LYS A 63 -12.734 5.330 -4.593 1.00 6.61 C ATOM 933 O LYS A 63 -13.165 4.875 -5.668 1.00 7.11 O ATOM 934 CB LYS A 63 -11.546 7.605 -4.418 1.00 7.01 C ATOM 935 CG LYS A 63 -11.096 7.891 -5.863 1.00 7.83 C ATOM 936 CD LYS A 63 -10.646 6.653 -6.629 1.00 8.08 C ATOM 937 CE LYS A 63 -10.270 7.013 -8.067 1.00 8.93 C ATOM 938 NZ LYS A 63 -9.161 8.009 -8.140 1.00 9.36 N ATOM 0 H LYS A 63 -12.634 7.470 -2.276 1.00 6.35 H new ATOM 0 HA LYS A 63 -13.616 7.253 -4.913 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -11.636 8.558 -3.896 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -10.755 7.043 -3.922 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -11.919 8.360 -6.403 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -10.277 8.610 -5.842 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -9.791 6.200 -6.127 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -11.444 5.911 -6.632 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -9.976 6.108 -8.599 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -11.146 7.412 -8.578 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -8.821 8.078 -9.120 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -9.508 8.938 -7.827 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -8.381 7.705 -7.523 1.00 9.36 H new ATOM 952 N CYS A 64 -12.159 4.564 -3.683 1.00 5.90 N ATOM 953 CA CYS A 64 -12.011 3.164 -3.923 1.00 5.63 C ATOM 954 C CYS A 64 -13.344 2.457 -3.676 1.00 5.60 C ATOM 955 O CYS A 64 -13.664 1.490 -4.358 1.00 5.71 O ATOM 956 CB CYS A 64 -10.843 2.540 -3.105 1.00 4.97 C ATOM 957 SG CYS A 64 -10.981 2.634 -1.314 1.00 4.95 S ATOM 0 H CYS A 64 -11.796 4.893 -2.788 1.00 5.90 H new ATOM 0 HA CYS A 64 -11.736 3.021 -4.968 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -10.752 1.491 -3.386 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -9.917 3.032 -3.403 1.00 4.97 H new ATOM 0 HG CYS A 64 -12.036 3.323 -0.996 1.00 4.95 H new ATOM 963 N ARG A 65 -14.147 2.991 -2.722 1.00 5.62 N ATOM 964 CA ARG A 65 -15.445 2.408 -2.400 1.00 5.84 C ATOM 965 C ARG A 65 -16.359 2.385 -3.589 1.00 6.60 C ATOM 966 O ARG A 65 -16.899 1.329 -3.921 1.00 6.69 O ATOM 967 CB ARG A 65 -16.164 3.054 -1.201 1.00 5.99 C ATOM 968 CG ARG A 65 -15.390 3.040 0.085 1.00 5.98 C ATOM 969 CD ARG A 65 -16.265 3.411 1.266 1.00 6.32 C ATOM 970 NE ARG A 65 -17.076 4.611 1.039 1.00 6.70 N ATOM 971 CZ ARG A 65 -17.437 5.482 1.995 1.00 7.13 C ATOM 972 NH1 ARG A 65 -16.820 5.494 3.175 1.00 7.25 N ATOM 973 NH2 ARG A 65 -18.369 6.394 1.732 1.00 7.69 N ATOM 0 H ARG A 65 -13.909 3.818 -2.174 1.00 5.62 H new ATOM 0 HA ARG A 65 -15.208 1.387 -2.102 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -16.402 4.087 -1.453 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -17.111 2.538 -1.043 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -14.964 2.049 0.244 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -14.556 3.738 0.016 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -16.925 2.574 1.496 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -15.634 3.569 2.140 1.00 6.32 H new ATOM 0 HE ARG A 65 -17.389 4.798 0.086 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -16.063 4.836 3.361 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -17.104 6.161 3.892 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -18.804 6.428 0.810 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -18.649 7.059 2.453 1.00 7.69 H new ATOM 987 N GLU A 66 -16.495 3.528 -4.259 1.00 7.20 N ATOM 988 CA GLU A 66 -17.388 3.633 -5.404 1.00 8.03 C ATOM 989 C GLU A 66 -16.906 2.787 -6.584 1.00 8.03 C ATOM 990 O GLU A 66 -17.711 2.207 -7.321 1.00 8.42 O ATOM 991 CB GLU A 66 -17.634 5.104 -5.795 1.00 8.67 C ATOM 992 CG GLU A 66 -16.390 5.903 -6.150 1.00 8.45 C ATOM 993 CD GLU A 66 -16.717 7.350 -6.465 1.00 9.17 C ATOM 994 OE1 GLU A 66 -17.063 7.655 -7.617 1.00 9.24 O ATOM 995 OE2 GLU A 66 -16.646 8.204 -5.565 1.00 9.78 O ATOM 0 H GLU A 66 -15.999 4.389 -4.028 1.00 7.20 H new ATOM 0 HA GLU A 66 -18.352 3.221 -5.105 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -18.315 5.127 -6.646 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -18.141 5.602 -4.968 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -15.684 5.863 -5.321 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -15.899 5.447 -7.009 1.00 8.45 H new ATOM 1002 N HIS A 67 -15.591 2.669 -6.746 1.00 7.64 N ATOM 1003 CA HIS A 67 -15.067 1.838 -7.826 1.00 7.74 C ATOM 1004 C HIS A 67 -15.242 0.348 -7.460 1.00 7.19 C ATOM 1005 O HIS A 67 -15.420 -0.500 -8.329 1.00 7.42 O ATOM 1006 CB HIS A 67 -13.580 2.174 -8.138 1.00 7.65 C ATOM 1007 CG HIS A 67 -12.990 1.465 -9.362 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -12.377 2.135 -10.401 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -12.880 0.152 -9.667 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -11.930 1.260 -11.287 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -12.226 0.047 -10.855 1.00 8.28 N ATOM 0 H HIS A 67 -14.887 3.123 -6.163 1.00 7.64 H new ATOM 0 HA HIS A 67 -15.632 2.048 -8.734 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -13.491 3.250 -8.285 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -12.977 1.920 -7.266 1.00 7.65 H new ATOM 0 HD2 HIS A 67 -13.248 -0.670 -9.071 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -11.412 1.496 -12.205 1.00 8.97 H new ATOM 0 HE2 HIS A 67 -12.001 -0.825 -11.334 1.00 8.28 H new ATOM 1020 N ALA A 68 -15.203 0.050 -6.187 1.00 6.53 N ATOM 1021 CA ALA A 68 -15.362 -1.313 -5.716 1.00 6.01 C ATOM 1022 C ALA A 68 -16.770 -1.790 -5.880 1.00 6.43 C ATOM 1023 O ALA A 68 -16.986 -2.862 -6.383 1.00 6.43 O ATOM 1024 CB ALA A 68 -14.948 -1.440 -4.294 1.00 5.28 C ATOM 0 H ALA A 68 -15.061 0.737 -5.446 1.00 6.53 H new ATOM 0 HA ALA A 68 -14.714 -1.940 -6.328 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -15.078 -2.472 -3.968 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -13.900 -1.157 -4.193 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -15.562 -0.784 -3.676 1.00 5.28 H new ATOM 1030 N GLU A 69 -17.733 -0.985 -5.481 1.00 6.88 N ATOM 1031 CA GLU A 69 -19.129 -1.389 -5.607 1.00 7.44 C ATOM 1032 C GLU A 69 -19.584 -1.381 -7.069 1.00 8.10 C ATOM 1033 O GLU A 69 -20.656 -1.895 -7.414 1.00 8.50 O ATOM 1034 CB GLU A 69 -20.025 -0.559 -4.700 1.00 7.93 C ATOM 1035 CG GLU A 69 -19.918 0.938 -4.893 1.00 7.64 C ATOM 1036 CD GLU A 69 -20.793 1.692 -3.933 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -20.381 1.874 -2.755 1.00 7.78 O ATOM 1038 OE2 GLU A 69 -21.911 2.095 -4.330 1.00 7.77 O ATOM 0 H GLU A 69 -17.585 -0.062 -5.073 1.00 6.88 H new ATOM 0 HA GLU A 69 -19.217 -2.421 -5.268 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -21.060 -0.858 -4.864 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -19.785 -0.795 -3.663 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -18.882 1.248 -4.759 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -20.197 1.193 -5.915 1.00 7.64 H new ATOM 1045 N ALA A 70 -18.751 -0.798 -7.909 1.00 8.29 N ATOM 1046 CA ALA A 70 -18.941 -0.814 -9.341 1.00 8.98 C ATOM 1047 C ALA A 70 -18.559 -2.186 -9.899 1.00 8.74 C ATOM 1048 O ALA A 70 -19.129 -2.656 -10.883 1.00 9.31 O ATOM 1049 CB ALA A 70 -18.059 0.242 -9.980 1.00 9.41 C ATOM 0 H ALA A 70 -17.915 -0.295 -7.610 1.00 8.29 H new ATOM 0 HA ALA A 70 -19.988 -0.608 -9.564 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -18.202 0.230 -11.061 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -18.326 1.224 -9.589 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -17.015 0.032 -9.750 1.00 9.41 H new ATOM 1055 N LYS A 71 -17.589 -2.817 -9.259 1.00 7.94 N ATOM 1056 CA LYS A 71 -17.076 -4.094 -9.701 1.00 7.72 C ATOM 1057 C LYS A 71 -17.243 -5.154 -8.627 1.00 7.00 C ATOM 1058 O LYS A 71 -18.241 -5.848 -8.608 1.00 7.10 O ATOM 1059 CB LYS A 71 -15.593 -3.980 -10.123 1.00 7.70 C ATOM 1060 CG LYS A 71 -15.328 -3.052 -11.314 1.00 8.55 C ATOM 1061 CD LYS A 71 -15.985 -3.548 -12.608 1.00 9.28 C ATOM 1062 CE LYS A 71 -15.459 -4.925 -13.029 1.00 10.04 C ATOM 1063 NZ LYS A 71 -16.104 -5.410 -14.276 1.00 10.32 N ATOM 0 H LYS A 71 -17.138 -2.455 -8.419 1.00 7.94 H new ATOM 0 HA LYS A 71 -17.657 -4.399 -10.571 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -15.014 -3.626 -9.270 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -15.223 -4.976 -10.368 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -15.700 -2.054 -11.082 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -14.253 -2.963 -11.468 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -17.065 -3.600 -12.469 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -15.800 -2.830 -13.407 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -14.380 -4.872 -13.176 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -15.636 -5.641 -12.227 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -15.720 -6.344 -14.525 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -17.131 -5.486 -14.129 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -15.914 -4.740 -15.048 1.00 10.32 H new ATOM 1077 N HIS A 72 -16.255 -5.237 -7.716 1.00 6.33 N ATOM 1078 CA HIS A 72 -16.232 -6.223 -6.612 1.00 5.62 C ATOM 1079 C HIS A 72 -16.606 -7.658 -7.101 1.00 5.65 C ATOM 1080 O HIS A 72 -17.522 -8.282 -6.559 1.00 5.60 O ATOM 1081 CB HIS A 72 -17.147 -5.742 -5.468 1.00 5.47 C ATOM 1082 CG HIS A 72 -17.228 -6.616 -4.229 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -18.428 -7.108 -3.753 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -16.283 -7.037 -3.358 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -18.220 -7.785 -2.655 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -16.930 -7.767 -2.386 1.00 7.47 N ATOM 0 H HIS A 72 -15.444 -4.619 -7.723 1.00 6.33 H new ATOM 0 HA HIS A 72 -15.213 -6.294 -6.231 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -16.811 -4.751 -5.161 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -18.155 -5.628 -5.867 1.00 5.47 H new ATOM 0 HD2 HIS A 72 -15.223 -6.839 -3.414 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -18.979 -8.278 -2.066 1.00 7.21 H new ATOM 0 HE2 HIS A 72 -16.484 -8.220 -1.588 1.00 7.47 H new ATOM 1095 N PRO A 73 -15.884 -8.211 -8.125 1.00 5.90 N ATOM 1096 CA PRO A 73 -16.178 -9.551 -8.645 1.00 6.06 C ATOM 1097 C PRO A 73 -15.908 -10.596 -7.587 1.00 5.49 C ATOM 1098 O PRO A 73 -16.700 -11.509 -7.354 1.00 5.49 O ATOM 1099 CB PRO A 73 -15.187 -9.705 -9.819 1.00 6.60 C ATOM 1100 CG PRO A 73 -14.800 -8.310 -10.160 1.00 6.81 C ATOM 1101 CD PRO A 73 -14.765 -7.593 -8.850 1.00 6.21 C ATOM 0 HA PRO A 73 -17.219 -9.676 -8.945 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -14.320 -10.299 -9.532 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -15.651 -10.208 -10.668 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -13.829 -8.278 -10.654 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -15.519 -7.855 -10.841 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -13.816 -7.737 -8.333 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -14.902 -6.518 -8.971 1.00 6.21 H new ATOM 1109 N LYS A 74 -14.777 -10.428 -6.943 1.00 5.12 N ATOM 1110 CA LYS A 74 -14.350 -11.273 -5.872 1.00 4.75 C ATOM 1111 C LYS A 74 -13.136 -10.647 -5.207 1.00 4.46 C ATOM 1112 O LYS A 74 -12.081 -10.544 -5.806 1.00 4.75 O ATOM 1113 CB LYS A 74 -14.036 -12.714 -6.375 1.00 5.23 C ATOM 1114 CG LYS A 74 -12.967 -12.791 -7.468 1.00 5.74 C ATOM 1115 CD LYS A 74 -12.710 -14.224 -7.908 1.00 6.36 C ATOM 1116 CE LYS A 74 -11.613 -14.294 -8.968 1.00 6.91 C ATOM 1117 NZ LYS A 74 -11.958 -13.521 -10.187 1.00 7.32 N ATOM 0 H LYS A 74 -14.118 -9.680 -7.160 1.00 5.12 H new ATOM 0 HA LYS A 74 -15.156 -11.363 -5.144 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -13.713 -13.318 -5.527 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -14.956 -13.161 -6.753 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -13.282 -12.198 -8.327 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -12.039 -12.352 -7.101 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -12.423 -14.825 -7.045 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -13.629 -14.655 -8.305 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -10.682 -13.912 -8.550 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -11.438 -15.335 -9.238 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -11.281 -13.745 -10.944 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -12.919 -13.772 -10.497 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -11.917 -12.503 -9.976 1.00 7.32 H new ATOM 1131 N ALA A 75 -13.321 -10.100 -4.040 1.00 4.19 N ATOM 1132 CA ALA A 75 -12.165 -9.641 -3.270 1.00 4.02 C ATOM 1133 C ALA A 75 -11.322 -10.871 -2.834 1.00 4.43 C ATOM 1134 O ALA A 75 -11.781 -11.682 -2.055 1.00 4.52 O ATOM 1135 CB ALA A 75 -12.597 -8.806 -2.065 1.00 3.36 C ATOM 0 H ALA A 75 -14.228 -9.956 -3.597 1.00 4.19 H new ATOM 0 HA ALA A 75 -11.552 -8.994 -3.898 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -11.715 -8.480 -1.513 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -13.154 -7.934 -2.408 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -13.231 -9.408 -1.414 1.00 3.36 H new ATOM 1141 N ASP A 76 -10.111 -10.993 -3.378 1.00 5.01 N ATOM 1142 CA ASP A 76 -9.234 -12.182 -3.159 1.00 5.63 C ATOM 1143 C ASP A 76 -8.398 -12.009 -1.901 1.00 5.81 C ATOM 1144 O ASP A 76 -8.805 -12.347 -0.804 1.00 5.63 O ATOM 1145 CB ASP A 76 -8.256 -12.390 -4.354 1.00 6.39 C ATOM 1146 CG ASP A 76 -8.912 -12.541 -5.705 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -9.120 -11.501 -6.371 1.00 6.82 O ATOM 1148 OD2 ASP A 76 -9.185 -13.673 -6.133 1.00 6.80 O ATOM 0 H ASP A 76 -9.697 -10.284 -3.982 1.00 5.01 H new ATOM 0 HA ASP A 76 -9.891 -13.046 -3.063 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -7.571 -11.543 -4.393 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -7.654 -13.278 -4.159 1.00 6.39 H new ATOM 1153 N VAL A 77 -7.211 -11.439 -2.073 1.00 6.30 N ATOM 1154 CA VAL A 77 -6.340 -11.155 -0.969 1.00 6.58 C ATOM 1155 C VAL A 77 -6.656 -9.777 -0.452 1.00 5.93 C ATOM 1156 O VAL A 77 -6.284 -9.408 0.639 1.00 6.00 O ATOM 1157 CB VAL A 77 -4.828 -11.258 -1.343 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -4.452 -12.681 -1.755 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -4.453 -10.261 -2.433 1.00 7.55 C ATOM 0 H VAL A 77 -6.838 -11.167 -2.983 1.00 6.30 H new ATOM 0 HA VAL A 77 -6.515 -11.907 -0.200 1.00 6.58 H new ATOM 0 HB VAL A 77 -4.257 -11.005 -0.450 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -3.393 -12.718 -2.009 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -4.651 -13.364 -0.929 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -5.044 -12.977 -2.621 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -3.393 -10.361 -2.668 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -5.044 -10.460 -3.327 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -4.653 -9.248 -2.084 1.00 7.55 H new ATOM 1169 N VAL A 78 -7.393 -9.026 -1.266 1.00 5.38 N ATOM 1170 CA VAL A 78 -7.826 -7.687 -0.899 1.00 4.74 C ATOM 1171 C VAL A 78 -9.121 -7.781 -0.137 1.00 4.00 C ATOM 1172 O VAL A 78 -9.742 -6.786 0.173 1.00 3.42 O ATOM 1173 CB VAL A 78 -8.009 -6.753 -2.131 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -6.722 -6.640 -2.938 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -9.179 -7.198 -3.001 1.00 4.70 C ATOM 0 H VAL A 78 -7.703 -9.328 -2.190 1.00 5.38 H new ATOM 0 HA VAL A 78 -7.044 -7.246 -0.281 1.00 4.74 H new ATOM 0 HB VAL A 78 -8.246 -5.758 -1.755 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -6.884 -5.981 -3.791 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -5.932 -6.231 -2.308 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -6.427 -7.627 -3.293 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -9.277 -6.523 -3.851 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -9.000 -8.211 -3.360 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -10.097 -7.178 -2.414 1.00 4.70 H new ATOM 1185 N ALA A 79 -9.508 -9.019 0.174 1.00 4.18 N ATOM 1186 CA ALA A 79 -10.718 -9.311 0.948 1.00 3.76 C ATOM 1187 C ALA A 79 -10.622 -8.784 2.385 1.00 3.69 C ATOM 1188 O ALA A 79 -11.573 -8.877 3.174 1.00 3.56 O ATOM 1189 CB ALA A 79 -10.999 -10.805 0.925 1.00 4.24 C ATOM 0 H ALA A 79 -8.989 -9.852 -0.105 1.00 4.18 H new ATOM 0 HA ALA A 79 -11.553 -8.789 0.480 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -11.900 -11.015 1.502 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -11.143 -11.132 -0.105 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -10.156 -11.341 1.361 1.00 4.24 H new ATOM 1195 N CYS A 80 -9.474 -8.219 2.704 1.00 4.00 N ATOM 1196 CA CYS A 80 -9.237 -7.570 3.968 1.00 4.07 C ATOM 1197 C CYS A 80 -9.974 -6.242 3.994 1.00 3.33 C ATOM 1198 O CYS A 80 -10.250 -5.694 5.061 1.00 3.38 O ATOM 1199 CB CYS A 80 -7.745 -7.381 4.144 1.00 4.73 C ATOM 1200 SG CYS A 80 -6.963 -6.425 2.812 1.00 5.60 S ATOM 0 H CYS A 80 -8.669 -8.201 2.078 1.00 4.00 H new ATOM 0 HA CYS A 80 -9.609 -8.178 4.793 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -7.562 -6.879 5.094 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -7.269 -8.360 4.203 1.00 4.73 H new ATOM 0 HG CYS A 80 -5.995 -5.709 3.302 1.00 5.60 H new ATOM 1206 N PHE A 81 -10.245 -5.726 2.819 1.00 2.86 N ATOM 1207 CA PHE A 81 -11.097 -4.592 2.650 1.00 2.27 C ATOM 1208 C PHE A 81 -11.551 -4.607 1.200 1.00 2.17 C ATOM 1209 O PHE A 81 -10.891 -4.060 0.321 1.00 2.52 O ATOM 1210 CB PHE A 81 -10.413 -3.257 3.030 1.00 2.41 C ATOM 1211 CG PHE A 81 -11.399 -2.102 3.210 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -12.276 -2.046 4.284 1.00 3.67 C ATOM 1213 CD2 PHE A 81 -11.464 -1.097 2.262 1.00 3.50 C ATOM 1214 CE1 PHE A 81 -13.178 -1.000 4.418 1.00 4.68 C ATOM 1215 CE2 PHE A 81 -12.348 -0.046 2.393 1.00 4.57 C ATOM 1216 CZ PHE A 81 -13.179 0.004 3.614 1.00 5.13 C ATOM 0 H PHE A 81 -9.870 -6.094 1.945 1.00 2.86 H new ATOM 0 HA PHE A 81 -11.947 -4.660 3.329 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -9.852 -3.394 3.955 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -9.692 -2.993 2.256 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -12.256 -2.829 5.028 1.00 3.67 H new ATOM 0 HD2 PHE A 81 -10.810 -1.136 1.403 1.00 3.50 H new ATOM 0 HE1 PHE A 81 -13.900 -1.030 5.221 1.00 4.68 H new ATOM 0 HE2 PHE A 81 -12.430 0.714 1.630 1.00 4.57 H new ATOM 0 HZ PHE A 81 -13.781 0.875 3.829 1.00 5.13 H new ATOM 1226 N PRO A 82 -12.675 -5.310 0.922 1.00 2.09 N ATOM 1227 CA PRO A 82 -13.204 -5.558 -0.469 1.00 2.39 C ATOM 1228 C PRO A 82 -13.548 -4.318 -1.267 1.00 2.74 C ATOM 1229 O PRO A 82 -14.078 -4.413 -2.378 1.00 3.27 O ATOM 1230 CB PRO A 82 -14.469 -6.391 -0.214 1.00 2.47 C ATOM 1231 CG PRO A 82 -14.288 -6.977 1.151 1.00 2.41 C ATOM 1232 CD PRO A 82 -13.517 -5.971 1.941 1.00 2.19 C ATOM 0 HA PRO A 82 -12.441 -6.039 -1.081 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -15.364 -5.771 -0.260 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -14.583 -7.172 -0.965 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -15.252 -7.181 1.617 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -13.752 -7.924 1.099 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -14.176 -5.261 2.440 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -12.914 -6.445 2.716 1.00 2.19 H new ATOM 1240 N HIS A 83 -13.234 -3.187 -0.741 1.00 2.68 N ATOM 1241 CA HIS A 83 -13.471 -1.965 -1.426 1.00 3.26 C ATOM 1242 C HIS A 83 -12.190 -1.485 -2.098 1.00 3.66 C ATOM 1243 O HIS A 83 -12.153 -0.410 -2.645 1.00 4.25 O ATOM 1244 CB HIS A 83 -14.024 -0.881 -0.489 1.00 3.25 C ATOM 1245 CG HIS A 83 -15.361 -1.204 0.121 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -16.571 -0.783 -0.413 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -15.679 -1.891 1.244 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -17.554 -1.195 0.360 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -17.038 -1.867 1.368 1.00 4.19 N ATOM 0 H HIS A 83 -12.805 -3.082 0.178 1.00 2.68 H new ATOM 0 HA HIS A 83 -14.228 -2.153 -2.188 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -13.305 -0.711 0.312 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -14.109 0.053 -1.045 1.00 3.25 H new ATOM 0 HD2 HIS A 83 -14.984 -2.370 1.918 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -18.606 -1.013 0.195 1.00 4.24 H new ATOM 0 HE2 HIS A 83 -17.570 -2.301 2.122 1.00 4.19 H new ATOM 1258 N LEU A 84 -11.149 -2.295 -2.042 1.00 3.56 N ATOM 1259 CA LEU A 84 -9.887 -1.953 -2.620 1.00 4.20 C ATOM 1260 C LEU A 84 -9.594 -2.772 -3.890 1.00 4.81 C ATOM 1261 O LEU A 84 -8.497 -2.683 -4.427 1.00 5.47 O ATOM 1262 CB LEU A 84 -8.803 -2.213 -1.597 1.00 4.05 C ATOM 1263 CG LEU A 84 -8.970 -1.508 -0.255 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -7.838 -1.887 0.696 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -9.083 0.020 -0.403 1.00 3.49 C ATOM 0 H LEU A 84 -11.167 -3.209 -1.590 1.00 3.56 H new ATOM 0 HA LEU A 84 -9.914 -0.901 -2.905 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -8.750 -3.287 -1.417 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -7.847 -1.914 -2.026 1.00 4.05 H new ATOM 0 HG LEU A 84 -9.912 -1.850 0.173 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -7.975 -1.374 1.648 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -7.846 -2.965 0.860 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -6.883 -1.594 0.260 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -9.200 0.473 0.581 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -8.180 0.407 -0.876 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -9.948 0.263 -1.020 1.00 3.49 H new ATOM 1277 N LYS A 85 -10.568 -3.601 -4.343 1.00 4.68 N ATOM 1278 CA LYS A 85 -10.380 -4.405 -5.586 1.00 5.28 C ATOM 1279 C LYS A 85 -9.865 -3.597 -6.799 1.00 6.06 C ATOM 1280 O LYS A 85 -8.801 -3.905 -7.297 1.00 6.40 O ATOM 1281 CB LYS A 85 -11.623 -5.209 -5.959 1.00 5.04 C ATOM 1282 CG LYS A 85 -11.400 -6.715 -5.916 1.00 5.59 C ATOM 1283 CD LYS A 85 -10.295 -7.163 -6.883 1.00 6.41 C ATOM 1284 CE LYS A 85 -10.052 -8.643 -6.744 1.00 7.19 C ATOM 1285 NZ LYS A 85 -9.003 -9.158 -7.639 1.00 8.04 N ATOM 0 H LYS A 85 -11.469 -3.732 -3.884 1.00 4.68 H new ATOM 0 HA LYS A 85 -9.585 -5.105 -5.329 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -12.434 -4.949 -5.278 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -11.944 -4.924 -6.961 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -11.136 -7.013 -4.901 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -12.330 -7.226 -6.167 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -10.582 -6.929 -7.908 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -9.376 -6.615 -6.676 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -9.776 -8.861 -5.712 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -10.982 -9.175 -6.945 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -8.783 -10.142 -7.386 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -9.337 -9.120 -8.623 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -8.147 -8.576 -7.541 1.00 8.04 H new ATOM 1299 N LYS A 86 -10.645 -2.595 -7.268 1.00 6.60 N ATOM 1300 CA LYS A 86 -10.229 -1.719 -8.387 1.00 7.50 C ATOM 1301 C LYS A 86 -10.147 -2.463 -9.749 1.00 8.13 C ATOM 1302 O LYS A 86 -9.148 -3.145 -10.017 1.00 8.62 O ATOM 1303 CB LYS A 86 -8.914 -0.965 -8.063 1.00 8.04 C ATOM 1304 CG LYS A 86 -8.408 -0.056 -9.176 1.00 8.96 C ATOM 1305 CD LYS A 86 -7.137 0.651 -8.751 1.00 9.74 C ATOM 1306 CE LYS A 86 -6.538 1.503 -9.859 1.00 10.66 C ATOM 1307 NZ LYS A 86 -6.116 0.704 -11.045 1.00 11.10 N ATOM 1308 OXT LYS A 86 -11.101 -2.304 -10.563 1.00 8.37 O ATOM 0 H LYS A 86 -11.566 -2.374 -6.888 1.00 6.60 H new ATOM 0 HA LYS A 86 -11.018 -0.976 -8.499 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -9.067 -0.366 -7.165 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -8.140 -1.696 -7.830 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -8.221 -0.643 -10.075 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -9.172 0.679 -9.428 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -7.349 1.282 -7.888 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -6.404 -0.090 -8.432 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -7.269 2.249 -10.172 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -5.677 2.045 -9.468 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -5.566 1.305 -11.691 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -5.530 -0.096 -10.734 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -6.958 0.345 -11.539 1.00 11.10 H new TER 1322 LYS A 86