USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1001 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 10 THR OG1 : rot 91:sc= 0.0662 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 70:sc= -0.266 USER MOD Single : A 19 ASN : amide:sc= -0.0258 K(o=-0.026,f=0.83) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -37:sc= -0.0509 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0748 USER MOD Single : A 29 THR OG1 : rot -86:sc= 0.33 USER MOD Single : A 32 THR OG1 : rot 45:sc= 0.0233 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -65:sc= 1.1 USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.147 (180deg=-0.886) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.0255 (180deg=-0.447) USER MOD Single : A 48 THR OG1 : rot 60:sc= 0.143 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00159 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 60 TYR OH : rot 30:sc= -2.51 USER MOD Single : A 61 SER OG : rot 98:sc= 0.896 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 63 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.16) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= -2.67! (180deg=-4.07!) USER MOD Single : A 67 THR OG1 : rot 73:sc= 0.433 USER MOD Single : A 73 THR OG1 : rot -170:sc= -0.135 USER MOD Single : A 75 GLN : amide:sc= -4.36! K(o=-4.4!,f=-1.3) USER MOD Single : A 76 GLN : amide:sc= -0.275 K(o=-0.28,f=-1.4) USER MOD Single : A 78 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -3.17 K(o=-3.2,f=-3.7!) USER MOD Single : A 81 LYS NZ :NH3+ -104:sc= 1 (180deg=-1.15!) USER MOD Single : A 82 GLN : amide:sc= -0.0806 X(o=-0.081,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -3.11! K(o=-3.1!,f=-1.8) USER MOD Single : A 101 ASN : amide:sc= -0.704 K(o=-0.7,f=-0.088) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.245 K(o=-0.24,f=-1) USER MOD Single : A 111 SER OG : rot -170:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.00918 USER MOD Single : A 115 ASN : amide:sc= -3.5! K(o=-3.5!,f=-0.21) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 101:sc= 0.889 USER MOD Single : A 124 MET CE :methyl 180:sc= -0.012 (180deg=-0.012) USER MOD Single : A 127 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00101) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.428 5.738 1.706 1.00 0.56 N ATOM 103 CA ASP A 8 -16.239 5.885 2.593 1.00 0.63 C ATOM 104 C ASP A 8 -15.272 6.902 1.985 1.00 0.65 C ATOM 105 O ASP A 8 -15.036 6.912 0.793 1.00 0.46 O ATOM 106 CB ASP A 8 -15.537 4.533 2.734 1.00 0.59 C ATOM 107 CG ASP A 8 -14.448 4.631 3.804 1.00 0.81 C ATOM 108 OD1 ASP A 8 -14.581 5.469 4.680 1.00 0.86 O ATOM 109 OD2 ASP A 8 -13.501 3.867 3.729 1.00 1.79 O ATOM 0 HA ASP A 8 -16.559 6.231 3.576 1.00 0.63 H new ATOM 0 HB2 ASP A 8 -16.259 3.763 3.005 1.00 0.59 H new ATOM 0 HB3 ASP A 8 -15.099 4.238 1.781 1.00 0.59 H new ATOM 114 N ILE A 9 -14.710 7.758 2.795 1.00 0.91 N ATOM 115 CA ILE A 9 -13.758 8.772 2.262 1.00 0.95 C ATOM 116 C ILE A 9 -12.334 8.216 2.320 1.00 0.94 C ATOM 117 O ILE A 9 -11.439 8.703 1.658 1.00 0.95 O ATOM 118 CB ILE A 9 -13.844 10.045 3.106 1.00 1.06 C ATOM 119 CG1 ILE A 9 -12.901 11.103 2.530 1.00 1.08 C ATOM 120 CG2 ILE A 9 -13.435 9.730 4.547 1.00 1.13 C ATOM 121 CD1 ILE A 9 -13.138 12.438 3.236 1.00 1.54 C ATOM 0 H ILE A 9 -14.869 7.798 3.802 1.00 0.91 H new ATOM 0 HA ILE A 9 -14.015 9.003 1.228 1.00 0.95 H new ATOM 0 HB ILE A 9 -14.867 10.422 3.092 1.00 1.06 H new ATOM 0 HG12 ILE A 9 -11.865 10.790 2.659 1.00 1.08 H new ATOM 0 HG13 ILE A 9 -13.070 11.211 1.459 1.00 1.08 H new ATOM 0 HG21 ILE A 9 -13.496 10.637 5.149 1.00 1.13 H new ATOM 0 HG22 ILE A 9 -14.105 8.975 4.959 1.00 1.13 H new ATOM 0 HG23 ILE A 9 -12.412 9.353 4.561 1.00 1.13 H new ATOM 0 HD11 ILE A 9 -12.466 13.191 2.825 1.00 1.54 H new ATOM 0 HD12 ILE A 9 -14.171 12.752 3.084 1.00 1.54 H new ATOM 0 HD13 ILE A 9 -12.947 12.324 4.303 1.00 1.54 H new ATOM 133 N THR A 10 -12.116 7.199 3.108 1.00 0.94 N ATOM 134 CA THR A 10 -10.749 6.614 3.207 1.00 0.95 C ATOM 135 C THR A 10 -10.372 5.969 1.872 1.00 0.88 C ATOM 136 O THR A 10 -9.248 6.066 1.421 1.00 1.05 O ATOM 137 CB THR A 10 -10.728 5.553 4.311 1.00 0.97 C ATOM 138 OG1 THR A 10 -11.499 6.005 5.415 1.00 1.01 O ATOM 139 CG2 THR A 10 -9.286 5.308 4.758 1.00 1.01 C ATOM 0 H THR A 10 -12.825 6.748 3.687 1.00 0.94 H new ATOM 0 HA THR A 10 -10.033 7.401 3.445 1.00 0.95 H new ATOM 0 HB THR A 10 -11.150 4.623 3.930 1.00 0.97 H new ATOM 0 HG1 THR A 10 -12.425 5.702 5.313 1.00 1.01 H new ATOM 0 HG21 THR A 10 -9.272 4.553 5.544 1.00 1.01 H new ATOM 0 HG22 THR A 10 -8.696 4.960 3.910 1.00 1.01 H new ATOM 0 HG23 THR A 10 -8.861 6.236 5.139 1.00 1.01 H new ATOM 147 N LEU A 11 -11.302 5.311 1.237 1.00 0.64 N ATOM 148 CA LEU A 11 -10.996 4.660 -0.068 1.00 0.57 C ATOM 149 C LEU A 11 -10.705 5.736 -1.118 1.00 0.55 C ATOM 150 O LEU A 11 -10.061 5.485 -2.116 1.00 0.52 O ATOM 151 CB LEU A 11 -12.196 3.823 -0.515 1.00 0.50 C ATOM 152 CG LEU A 11 -12.616 2.887 0.618 1.00 0.44 C ATOM 153 CD1 LEU A 11 -13.808 2.041 0.167 1.00 0.50 C ATOM 154 CD2 LEU A 11 -11.448 1.967 0.979 1.00 0.54 C ATOM 0 H LEU A 11 -12.261 5.196 1.565 1.00 0.64 H new ATOM 0 HA LEU A 11 -10.125 4.015 0.043 1.00 0.57 H new ATOM 0 HB2 LEU A 11 -13.026 4.475 -0.789 1.00 0.50 H new ATOM 0 HB3 LEU A 11 -11.939 3.245 -1.402 1.00 0.50 H new ATOM 0 HG LEU A 11 -12.898 3.477 1.490 1.00 0.44 H new ATOM 0 HD11 LEU A 11 -14.107 1.374 0.975 1.00 0.50 H new ATOM 0 HD12 LEU A 11 -14.641 2.695 -0.091 1.00 0.50 H new ATOM 0 HD13 LEU A 11 -13.526 1.451 -0.705 1.00 0.50 H new ATOM 0 HD21 LEU A 11 -11.747 1.299 1.787 1.00 0.54 H new ATOM 0 HD22 LEU A 11 -11.166 1.377 0.107 1.00 0.54 H new ATOM 0 HD23 LEU A 11 -10.598 2.568 1.301 1.00 0.54 H new ATOM 166 N GLN A 12 -11.175 6.934 -0.899 1.00 0.58 N ATOM 167 CA GLN A 12 -10.925 8.023 -1.884 1.00 0.58 C ATOM 168 C GLN A 12 -9.523 8.595 -1.667 1.00 0.59 C ATOM 169 O GLN A 12 -8.649 8.453 -2.499 1.00 0.59 O ATOM 170 CB GLN A 12 -11.964 9.131 -1.693 1.00 0.59 C ATOM 171 CG GLN A 12 -11.686 10.268 -2.679 1.00 0.83 C ATOM 172 CD GLN A 12 -13.002 10.746 -3.292 1.00 0.63 C ATOM 173 OE1 GLN A 12 -13.664 11.605 -2.744 1.00 0.63 O ATOM 174 NE2 GLN A 12 -13.414 10.223 -4.415 1.00 1.96 N ATOM 0 H GLN A 12 -11.721 7.205 -0.081 1.00 0.58 H new ATOM 0 HA GLN A 12 -11.001 7.623 -2.895 1.00 0.58 H new ATOM 0 HB2 GLN A 12 -12.967 8.735 -1.852 1.00 0.59 H new ATOM 0 HB3 GLN A 12 -11.928 9.506 -0.670 1.00 0.59 H new ATOM 0 HG2 GLN A 12 -11.190 11.093 -2.168 1.00 0.83 H new ATOM 0 HG3 GLN A 12 -11.010 9.926 -3.463 1.00 0.83 H new ATOM 0 HE21 GLN A 12 -12.859 9.502 -4.876 1.00 1.96 H new ATOM 0 HE22 GLN A 12 -14.291 10.536 -4.832 1.00 1.96 H new ATOM 183 N GLU A 13 -9.301 9.241 -0.555 1.00 0.62 N ATOM 184 CA GLU A 13 -7.956 9.820 -0.286 1.00 0.64 C ATOM 185 C GLU A 13 -6.880 8.773 -0.582 1.00 0.52 C ATOM 186 O GLU A 13 -5.797 9.090 -1.033 1.00 0.38 O ATOM 187 CB GLU A 13 -7.865 10.244 1.181 1.00 0.80 C ATOM 188 CG GLU A 13 -7.662 9.007 2.058 1.00 0.84 C ATOM 189 CD GLU A 13 -8.038 9.338 3.503 1.00 1.17 C ATOM 190 OE1 GLU A 13 -8.281 10.501 3.780 1.00 1.59 O ATOM 191 OE2 GLU A 13 -8.076 8.423 4.310 1.00 2.09 O ATOM 0 H GLU A 13 -9.994 9.392 0.178 1.00 0.62 H new ATOM 0 HA GLU A 13 -7.802 10.690 -0.925 1.00 0.64 H new ATOM 0 HB2 GLU A 13 -7.038 10.940 1.319 1.00 0.80 H new ATOM 0 HB3 GLU A 13 -8.774 10.767 1.476 1.00 0.80 H new ATOM 0 HG2 GLU A 13 -8.275 8.184 1.691 1.00 0.84 H new ATOM 0 HG3 GLU A 13 -6.624 8.679 2.007 1.00 0.84 H new ATOM 198 N ILE A 14 -7.170 7.525 -0.333 1.00 0.61 N ATOM 199 CA ILE A 14 -6.165 6.458 -0.601 1.00 0.54 C ATOM 200 C ILE A 14 -5.952 6.326 -2.110 1.00 0.39 C ATOM 201 O ILE A 14 -4.847 6.442 -2.603 1.00 0.29 O ATOM 202 CB ILE A 14 -6.671 5.128 -0.038 1.00 0.65 C ATOM 203 CG1 ILE A 14 -6.354 5.056 1.458 1.00 0.89 C ATOM 204 CG2 ILE A 14 -5.978 3.971 -0.761 1.00 0.54 C ATOM 205 CD1 ILE A 14 -7.116 3.888 2.085 1.00 1.02 C ATOM 0 H ILE A 14 -8.060 7.198 0.044 1.00 0.61 H new ATOM 0 HA ILE A 14 -5.221 6.719 -0.123 1.00 0.54 H new ATOM 0 HB ILE A 14 -7.748 5.056 -0.187 1.00 0.65 H new ATOM 0 HG12 ILE A 14 -5.282 4.927 1.608 1.00 0.89 H new ATOM 0 HG13 ILE A 14 -6.634 5.990 1.945 1.00 0.89 H new ATOM 0 HG21 ILE A 14 -6.338 3.024 -0.360 1.00 0.54 H new ATOM 0 HG22 ILE A 14 -6.201 4.022 -1.827 1.00 0.54 H new ATOM 0 HG23 ILE A 14 -4.901 4.042 -0.612 1.00 0.54 H new ATOM 0 HD11 ILE A 14 -6.891 3.836 3.150 1.00 1.02 H new ATOM 0 HD12 ILE A 14 -8.187 4.037 1.948 1.00 1.02 H new ATOM 0 HD13 ILE A 14 -6.814 2.957 1.605 1.00 1.02 H new ATOM 217 N ILE A 15 -7.001 6.084 -2.848 1.00 0.38 N ATOM 218 CA ILE A 15 -6.857 5.943 -4.324 1.00 0.27 C ATOM 219 C ILE A 15 -6.005 7.093 -4.866 1.00 0.25 C ATOM 220 O ILE A 15 -5.062 6.885 -5.604 1.00 0.19 O ATOM 221 CB ILE A 15 -8.240 5.983 -4.977 1.00 0.32 C ATOM 222 CG1 ILE A 15 -8.904 4.611 -4.846 1.00 0.23 C ATOM 223 CG2 ILE A 15 -8.097 6.340 -6.457 1.00 0.38 C ATOM 224 CD1 ILE A 15 -10.389 4.725 -5.195 1.00 0.29 C ATOM 0 H ILE A 15 -7.951 5.978 -2.492 1.00 0.38 H new ATOM 0 HA ILE A 15 -6.374 4.993 -4.553 1.00 0.27 H new ATOM 0 HB ILE A 15 -8.854 6.734 -4.481 1.00 0.32 H new ATOM 0 HG12 ILE A 15 -8.418 3.896 -5.509 1.00 0.23 H new ATOM 0 HG13 ILE A 15 -8.787 4.234 -3.830 1.00 0.23 H new ATOM 0 HG21 ILE A 15 -9.083 6.368 -6.921 1.00 0.38 H new ATOM 0 HG22 ILE A 15 -7.623 7.317 -6.551 1.00 0.38 H new ATOM 0 HG23 ILE A 15 -7.483 5.589 -6.955 1.00 0.38 H new ATOM 0 HD11 ILE A 15 -10.861 3.747 -5.101 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -10.870 5.427 -4.514 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -10.496 5.083 -6.219 1.00 0.29 H new ATOM 236 N LYS A 16 -6.326 8.304 -4.504 1.00 0.31 N ATOM 237 CA LYS A 16 -5.533 9.464 -4.998 1.00 0.30 C ATOM 238 C LYS A 16 -4.070 9.293 -4.586 1.00 0.27 C ATOM 239 O LYS A 16 -3.164 9.664 -5.306 1.00 0.19 O ATOM 240 CB LYS A 16 -6.086 10.757 -4.393 1.00 0.36 C ATOM 241 CG LYS A 16 -7.555 10.916 -4.786 1.00 1.12 C ATOM 242 CD LYS A 16 -7.929 12.400 -4.771 1.00 0.59 C ATOM 243 CE LYS A 16 -7.699 12.971 -3.370 1.00 1.42 C ATOM 244 NZ LYS A 16 -8.440 14.257 -3.230 1.00 1.79 N ATOM 0 H LYS A 16 -7.103 8.540 -3.887 1.00 0.31 H new ATOM 0 HA LYS A 16 -5.602 9.514 -6.085 1.00 0.30 H new ATOM 0 HB2 LYS A 16 -5.989 10.734 -3.308 1.00 0.36 H new ATOM 0 HB3 LYS A 16 -5.509 11.612 -4.746 1.00 0.36 H new ATOM 0 HG2 LYS A 16 -7.725 10.497 -5.778 1.00 1.12 H new ATOM 0 HG3 LYS A 16 -8.190 10.363 -4.094 1.00 1.12 H new ATOM 0 HD2 LYS A 16 -7.329 12.944 -5.500 1.00 0.59 H new ATOM 0 HD3 LYS A 16 -8.973 12.526 -5.060 1.00 0.59 H new ATOM 0 HE2 LYS A 16 -8.037 12.260 -2.616 1.00 1.42 H new ATOM 0 HE3 LYS A 16 -6.634 13.132 -3.202 1.00 1.42 H new ATOM 0 HZ1 LYS A 16 -8.284 14.646 -2.278 1.00 1.79 H new ATOM 0 HZ2 LYS A 16 -8.097 14.934 -3.941 1.00 1.79 H new ATOM 0 HZ3 LYS A 16 -9.456 14.089 -3.373 1.00 1.79 H new ATOM 258 N THR A 17 -3.830 8.734 -3.431 1.00 0.38 N ATOM 259 CA THR A 17 -2.426 8.539 -2.974 1.00 0.41 C ATOM 260 C THR A 17 -1.724 7.541 -3.897 1.00 0.38 C ATOM 261 O THR A 17 -0.627 7.777 -4.363 1.00 0.38 O ATOM 262 CB THR A 17 -2.425 8.000 -1.542 1.00 0.48 C ATOM 263 OG1 THR A 17 -3.482 8.605 -0.809 1.00 0.64 O ATOM 264 CG2 THR A 17 -1.088 8.322 -0.874 1.00 0.25 C ATOM 0 H THR A 17 -4.546 8.404 -2.784 1.00 0.38 H new ATOM 0 HA THR A 17 -1.899 9.493 -3.002 1.00 0.41 H new ATOM 0 HB THR A 17 -2.567 6.919 -1.560 1.00 0.48 H new ATOM 0 HG1 THR A 17 -4.342 8.267 -1.136 1.00 0.64 H new ATOM 0 HG21 THR A 17 -1.089 7.937 0.146 1.00 0.25 H new ATOM 0 HG22 THR A 17 -0.279 7.857 -1.437 1.00 0.25 H new ATOM 0 HG23 THR A 17 -0.942 9.402 -0.854 1.00 0.25 H new ATOM 272 N LEU A 18 -2.347 6.425 -4.164 1.00 0.38 N ATOM 273 CA LEU A 18 -1.713 5.414 -5.057 1.00 0.36 C ATOM 274 C LEU A 18 -1.283 6.085 -6.362 1.00 0.33 C ATOM 275 O LEU A 18 -0.223 5.815 -6.891 1.00 0.39 O ATOM 276 CB LEU A 18 -2.718 4.301 -5.363 1.00 0.34 C ATOM 277 CG LEU A 18 -3.287 3.750 -4.054 1.00 0.23 C ATOM 278 CD1 LEU A 18 -4.291 2.638 -4.361 1.00 0.26 C ATOM 279 CD2 LEU A 18 -2.148 3.186 -3.200 1.00 0.28 C ATOM 0 H LEU A 18 -3.266 6.170 -3.803 1.00 0.38 H new ATOM 0 HA LEU A 18 -0.840 4.989 -4.562 1.00 0.36 H new ATOM 0 HB2 LEU A 18 -3.524 4.686 -5.988 1.00 0.34 H new ATOM 0 HB3 LEU A 18 -2.233 3.503 -5.925 1.00 0.34 H new ATOM 0 HG LEU A 18 -3.788 4.551 -3.511 1.00 0.23 H new ATOM 0 HD11 LEU A 18 -4.696 2.246 -3.428 1.00 0.26 H new ATOM 0 HD12 LEU A 18 -5.102 3.038 -4.969 1.00 0.26 H new ATOM 0 HD13 LEU A 18 -3.791 1.836 -4.905 1.00 0.26 H new ATOM 0 HD21 LEU A 18 -2.553 2.793 -2.267 1.00 0.28 H new ATOM 0 HD22 LEU A 18 -1.648 2.385 -3.744 1.00 0.28 H new ATOM 0 HD23 LEU A 18 -1.432 3.978 -2.980 1.00 0.28 H new ATOM 291 N ASN A 19 -2.097 6.960 -6.887 1.00 0.26 N ATOM 292 CA ASN A 19 -1.733 7.648 -8.158 1.00 0.24 C ATOM 293 C ASN A 19 -0.466 8.478 -7.943 1.00 0.24 C ATOM 294 O ASN A 19 0.424 8.494 -8.770 1.00 0.24 O ATOM 295 CB ASN A 19 -2.879 8.567 -8.586 1.00 0.25 C ATOM 296 CG ASN A 19 -4.056 7.722 -9.075 1.00 0.28 C ATOM 297 OD1 ASN A 19 -4.934 7.381 -8.308 1.00 1.26 O ATOM 298 ND2 ASN A 19 -4.112 7.366 -10.330 1.00 1.04 N ATOM 0 H ASN A 19 -2.998 7.228 -6.491 1.00 0.26 H new ATOM 0 HA ASN A 19 -1.553 6.905 -8.935 1.00 0.24 H new ATOM 0 HB2 ASN A 19 -3.190 9.192 -7.749 1.00 0.25 H new ATOM 0 HB3 ASN A 19 -2.545 9.237 -9.378 1.00 0.25 H new ATOM 0 HD21 ASN A 19 -4.893 6.802 -10.666 1.00 1.04 H new ATOM 0 HD22 ASN A 19 -3.375 7.652 -10.975 1.00 1.04 H new ATOM 305 N SER A 20 -0.375 9.166 -6.839 1.00 0.27 N ATOM 306 CA SER A 20 0.836 9.993 -6.575 1.00 0.28 C ATOM 307 C SER A 20 2.061 9.080 -6.474 1.00 0.30 C ATOM 308 O SER A 20 3.120 9.389 -6.981 1.00 0.34 O ATOM 309 CB SER A 20 0.658 10.753 -5.260 1.00 0.23 C ATOM 310 OG SER A 20 -0.294 11.792 -5.445 1.00 0.21 O ATOM 0 H SER A 20 -1.086 9.192 -6.108 1.00 0.27 H new ATOM 0 HA SER A 20 0.976 10.704 -7.389 1.00 0.28 H new ATOM 0 HB2 SER A 20 0.324 10.073 -4.476 1.00 0.23 H new ATOM 0 HB3 SER A 20 1.611 11.171 -4.936 1.00 0.23 H new ATOM 0 HG SER A 20 -0.412 12.281 -4.604 1.00 0.21 H new ATOM 316 N LEU A 21 1.923 7.958 -5.821 1.00 0.28 N ATOM 317 CA LEU A 21 3.079 7.028 -5.686 1.00 0.31 C ATOM 318 C LEU A 21 3.412 6.423 -7.052 1.00 0.48 C ATOM 319 O LEU A 21 4.560 6.354 -7.446 1.00 0.53 O ATOM 320 CB LEU A 21 2.716 5.907 -4.707 1.00 0.31 C ATOM 321 CG LEU A 21 3.088 6.328 -3.283 1.00 0.32 C ATOM 322 CD1 LEU A 21 2.296 5.487 -2.281 1.00 0.38 C ATOM 323 CD2 LEU A 21 4.586 6.111 -3.050 1.00 0.54 C ATOM 0 H LEU A 21 1.060 7.646 -5.376 1.00 0.28 H new ATOM 0 HA LEU A 21 3.944 7.575 -5.312 1.00 0.31 H new ATOM 0 HB2 LEU A 21 1.649 5.690 -4.766 1.00 0.31 H new ATOM 0 HB3 LEU A 21 3.243 4.991 -4.976 1.00 0.31 H new ATOM 0 HG LEU A 21 2.851 7.383 -3.149 1.00 0.32 H new ATOM 0 HD11 LEU A 21 2.560 5.786 -1.266 1.00 0.38 H new ATOM 0 HD12 LEU A 21 1.229 5.642 -2.439 1.00 0.38 H new ATOM 0 HD13 LEU A 21 2.534 4.433 -2.422 1.00 0.38 H new ATOM 0 HD21 LEU A 21 4.844 6.413 -2.035 1.00 0.54 H new ATOM 0 HD22 LEU A 21 4.827 5.057 -3.187 1.00 0.54 H new ATOM 0 HD23 LEU A 21 5.155 6.709 -3.762 1.00 0.54 H new ATOM 335 N THR A 22 2.420 5.986 -7.778 1.00 0.56 N ATOM 336 CA THR A 22 2.685 5.386 -9.117 1.00 0.72 C ATOM 337 C THR A 22 3.634 6.294 -9.901 1.00 0.83 C ATOM 338 O THR A 22 4.658 5.861 -10.393 1.00 1.03 O ATOM 339 CB THR A 22 1.367 5.241 -9.883 1.00 0.66 C ATOM 340 OG1 THR A 22 0.766 6.519 -10.032 1.00 0.47 O ATOM 341 CG2 THR A 22 0.425 4.318 -9.111 1.00 0.67 C ATOM 0 H THR A 22 1.438 6.018 -7.503 1.00 0.56 H new ATOM 0 HA THR A 22 3.141 4.404 -8.992 1.00 0.72 H new ATOM 0 HB THR A 22 1.562 4.814 -10.867 1.00 0.66 H new ATOM 0 HG1 THR A 22 0.916 7.048 -9.220 1.00 0.47 H new ATOM 0 HG21 THR A 22 -0.513 4.216 -9.657 1.00 0.67 H new ATOM 0 HG22 THR A 22 0.888 3.338 -8.998 1.00 0.67 H new ATOM 0 HG23 THR A 22 0.227 4.741 -8.126 1.00 0.67 H new ATOM 349 N GLU A 23 3.304 7.551 -10.023 1.00 0.81 N ATOM 350 CA GLU A 23 4.189 8.484 -10.774 1.00 0.97 C ATOM 351 C GLU A 23 5.590 8.459 -10.161 1.00 0.91 C ATOM 352 O GLU A 23 6.584 8.531 -10.856 1.00 1.18 O ATOM 353 CB GLU A 23 3.621 9.903 -10.695 1.00 1.04 C ATOM 354 CG GLU A 23 2.421 10.025 -11.636 1.00 1.36 C ATOM 355 CD GLU A 23 1.602 11.261 -11.259 1.00 1.02 C ATOM 356 OE1 GLU A 23 2.168 12.342 -11.244 1.00 0.21 O ATOM 357 OE2 GLU A 23 0.421 11.107 -10.991 1.00 2.05 O ATOM 0 H GLU A 23 2.460 7.971 -9.635 1.00 0.81 H new ATOM 0 HA GLU A 23 4.243 8.174 -11.818 1.00 0.97 H new ATOM 0 HB2 GLU A 23 3.319 10.129 -9.672 1.00 1.04 H new ATOM 0 HB3 GLU A 23 4.387 10.629 -10.969 1.00 1.04 H new ATOM 0 HG2 GLU A 23 2.761 10.102 -12.669 1.00 1.36 H new ATOM 0 HG3 GLU A 23 1.801 9.131 -11.570 1.00 1.36 H new ATOM 364 N GLN A 24 5.674 8.353 -8.866 1.00 0.62 N ATOM 365 CA GLN A 24 7.008 8.319 -8.205 1.00 0.62 C ATOM 366 C GLN A 24 7.651 6.950 -8.437 1.00 0.60 C ATOM 367 O GLN A 24 7.142 5.937 -8.002 1.00 0.81 O ATOM 368 CB GLN A 24 6.841 8.557 -6.703 1.00 0.72 C ATOM 369 CG GLN A 24 6.415 10.006 -6.459 1.00 0.99 C ATOM 370 CD GLN A 24 6.347 10.274 -4.955 1.00 1.82 C ATOM 371 OE1 GLN A 24 5.430 9.838 -4.289 1.00 2.75 O ATOM 372 NE2 GLN A 24 7.288 10.978 -4.387 1.00 1.95 N ATOM 0 H GLN A 24 4.875 8.288 -8.235 1.00 0.62 H new ATOM 0 HA GLN A 24 7.644 9.098 -8.625 1.00 0.62 H new ATOM 0 HB2 GLN A 24 6.095 7.874 -6.297 1.00 0.72 H new ATOM 0 HB3 GLN A 24 7.778 8.350 -6.185 1.00 0.72 H new ATOM 0 HG2 GLN A 24 7.124 10.688 -6.929 1.00 0.99 H new ATOM 0 HG3 GLN A 24 5.443 10.192 -6.916 1.00 0.99 H new ATOM 0 HE21 GLN A 24 8.059 11.345 -4.946 1.00 1.95 H new ATOM 0 HE22 GLN A 24 7.253 11.162 -3.384 1.00 1.95 H new ATOM 381 N LYS A 25 8.763 6.917 -9.125 1.00 0.61 N ATOM 382 CA LYS A 25 9.446 5.619 -9.396 1.00 0.54 C ATOM 383 C LYS A 25 10.949 5.775 -9.159 1.00 0.51 C ATOM 384 O LYS A 25 11.696 6.122 -10.053 1.00 0.96 O ATOM 385 CB LYS A 25 9.200 5.210 -10.850 1.00 0.81 C ATOM 386 CG LYS A 25 7.766 4.695 -11.001 1.00 1.17 C ATOM 387 CD LYS A 25 7.192 5.154 -12.345 1.00 1.11 C ATOM 388 CE LYS A 25 8.050 4.601 -13.484 1.00 1.40 C ATOM 389 NZ LYS A 25 7.237 4.535 -14.732 1.00 1.62 N ATOM 0 H LYS A 25 9.229 7.738 -9.512 1.00 0.61 H new ATOM 0 HA LYS A 25 9.050 4.853 -8.729 1.00 0.54 H new ATOM 0 HB2 LYS A 25 9.363 6.061 -11.511 1.00 0.81 H new ATOM 0 HB3 LYS A 25 9.908 4.436 -11.146 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.752 3.607 -10.941 1.00 1.17 H new ATOM 0 HG3 LYS A 25 7.148 5.067 -10.184 1.00 1.17 H new ATOM 0 HD2 LYS A 25 6.164 4.808 -12.450 1.00 1.11 H new ATOM 0 HD3 LYS A 25 7.169 6.243 -12.389 1.00 1.11 H new ATOM 0 HE2 LYS A 25 8.922 5.237 -13.638 1.00 1.40 H new ATOM 0 HE3 LYS A 25 8.421 3.609 -13.226 1.00 1.40 H new ATOM 0 HZ1 LYS A 25 7.820 4.159 -15.507 1.00 1.62 H new ATOM 0 HZ2 LYS A 25 6.419 3.911 -14.581 1.00 1.62 H new ATOM 0 HZ3 LYS A 25 6.904 5.489 -14.980 1.00 1.62 H new ATOM 403 N THR A 26 11.400 5.520 -7.960 1.00 0.22 N ATOM 404 CA THR A 26 12.854 5.653 -7.667 1.00 0.50 C ATOM 405 C THR A 26 13.538 4.298 -7.867 1.00 0.59 C ATOM 406 O THR A 26 13.091 3.474 -8.638 1.00 0.85 O ATOM 407 CB THR A 26 13.043 6.112 -6.220 1.00 0.60 C ATOM 408 OG1 THR A 26 13.013 4.982 -5.358 1.00 0.74 O ATOM 409 CG2 THR A 26 11.919 7.077 -5.838 1.00 0.33 C ATOM 0 H THR A 26 10.823 5.225 -7.172 1.00 0.22 H new ATOM 0 HA THR A 26 13.296 6.387 -8.340 1.00 0.50 H new ATOM 0 HB THR A 26 14.003 6.619 -6.122 1.00 0.60 H new ATOM 0 HG1 THR A 26 13.136 5.275 -4.431 1.00 0.74 H new ATOM 0 HG21 THR A 26 12.054 7.403 -4.807 1.00 0.33 H new ATOM 0 HG22 THR A 26 11.943 7.943 -6.499 1.00 0.33 H new ATOM 0 HG23 THR A 26 10.958 6.573 -5.936 1.00 0.33 H new ATOM 417 N LEU A 27 14.618 4.060 -7.174 1.00 0.46 N ATOM 418 CA LEU A 27 15.326 2.757 -7.324 1.00 0.55 C ATOM 419 C LEU A 27 14.773 1.755 -6.309 1.00 0.53 C ATOM 420 O LEU A 27 15.255 0.647 -6.190 1.00 0.81 O ATOM 421 CB LEU A 27 16.830 2.945 -7.090 1.00 0.69 C ATOM 422 CG LEU A 27 17.072 4.029 -6.036 1.00 1.52 C ATOM 423 CD1 LEU A 27 16.325 3.675 -4.748 1.00 2.43 C ATOM 424 CD2 LEU A 27 18.570 4.122 -5.741 1.00 0.86 C ATOM 0 H LEU A 27 15.040 4.710 -6.511 1.00 0.46 H new ATOM 0 HA LEU A 27 15.167 2.380 -8.334 1.00 0.55 H new ATOM 0 HB2 LEU A 27 17.275 2.005 -6.763 1.00 0.69 H new ATOM 0 HB3 LEU A 27 17.319 3.221 -8.024 1.00 0.69 H new ATOM 0 HG LEU A 27 16.709 4.985 -6.413 1.00 1.52 H new ATOM 0 HD11 LEU A 27 16.500 4.449 -4.001 1.00 2.43 H new ATOM 0 HD12 LEU A 27 15.257 3.605 -4.954 1.00 2.43 H new ATOM 0 HD13 LEU A 27 16.685 2.718 -4.370 1.00 2.43 H new ATOM 0 HD21 LEU A 27 18.746 4.893 -4.991 1.00 0.86 H new ATOM 0 HD22 LEU A 27 18.927 3.163 -5.366 1.00 0.86 H new ATOM 0 HD23 LEU A 27 19.106 4.377 -6.655 1.00 0.86 H new ATOM 436 N CYS A 28 13.761 2.135 -5.577 1.00 0.46 N ATOM 437 CA CYS A 28 13.177 1.202 -4.572 1.00 0.44 C ATOM 438 C CYS A 28 12.087 0.357 -5.235 1.00 0.42 C ATOM 439 O CYS A 28 11.451 -0.461 -4.602 1.00 0.41 O ATOM 440 CB CYS A 28 12.569 2.007 -3.421 1.00 0.33 C ATOM 441 SG CYS A 28 12.892 1.159 -1.853 1.00 0.40 S ATOM 0 H CYS A 28 13.314 3.050 -5.631 1.00 0.46 H new ATOM 0 HA CYS A 28 13.959 0.549 -4.185 1.00 0.44 H new ATOM 0 HB2 CYS A 28 12.996 3.010 -3.399 1.00 0.33 H new ATOM 0 HB3 CYS A 28 11.495 2.121 -3.570 1.00 0.33 H new ATOM 446 N THR A 29 11.869 0.547 -6.508 1.00 0.43 N ATOM 447 CA THR A 29 10.821 -0.245 -7.210 1.00 0.41 C ATOM 448 C THR A 29 11.425 -1.562 -7.701 1.00 0.47 C ATOM 449 O THR A 29 10.726 -2.449 -8.149 1.00 0.73 O ATOM 450 CB THR A 29 10.294 0.551 -8.406 1.00 0.40 C ATOM 451 OG1 THR A 29 11.384 1.160 -9.085 1.00 0.62 O ATOM 452 CG2 THR A 29 9.328 1.631 -7.916 1.00 0.53 C ATOM 0 H THR A 29 12.371 1.216 -7.091 1.00 0.43 H new ATOM 0 HA THR A 29 10.001 -0.453 -6.523 1.00 0.41 H new ATOM 0 HB THR A 29 9.770 -0.120 -9.087 1.00 0.40 H new ATOM 0 HG1 THR A 29 11.589 2.022 -8.667 1.00 0.62 H new ATOM 0 HG21 THR A 29 8.953 2.198 -8.768 1.00 0.53 H new ATOM 0 HG22 THR A 29 8.492 1.163 -7.396 1.00 0.53 H new ATOM 0 HG23 THR A 29 9.849 2.303 -7.234 1.00 0.53 H new ATOM 460 N GLU A 30 12.721 -1.698 -7.621 1.00 0.24 N ATOM 461 CA GLU A 30 13.370 -2.956 -8.083 1.00 0.29 C ATOM 462 C GLU A 30 13.233 -4.028 -6.999 1.00 0.29 C ATOM 463 O GLU A 30 13.402 -5.204 -7.251 1.00 0.39 O ATOM 464 CB GLU A 30 14.852 -2.694 -8.358 1.00 0.26 C ATOM 465 CG GLU A 30 15.013 -2.078 -9.749 1.00 0.45 C ATOM 466 CD GLU A 30 15.062 -3.190 -10.798 1.00 0.97 C ATOM 467 OE1 GLU A 30 15.967 -4.005 -10.727 1.00 1.49 O ATOM 468 OE2 GLU A 30 14.193 -3.208 -11.654 1.00 1.91 O ATOM 0 H GLU A 30 13.358 -0.991 -7.255 1.00 0.24 H new ATOM 0 HA GLU A 30 12.887 -3.300 -8.997 1.00 0.29 H new ATOM 0 HB2 GLU A 30 15.260 -2.023 -7.602 1.00 0.26 H new ATOM 0 HB3 GLU A 30 15.415 -3.625 -8.294 1.00 0.26 H new ATOM 0 HG2 GLU A 30 14.183 -1.403 -9.958 1.00 0.45 H new ATOM 0 HG3 GLU A 30 15.925 -1.483 -9.791 1.00 0.45 H new ATOM 475 N LEU A 31 12.929 -3.630 -5.794 1.00 0.32 N ATOM 476 CA LEU A 31 12.783 -4.626 -4.696 1.00 0.31 C ATOM 477 C LEU A 31 11.647 -5.594 -5.032 1.00 0.47 C ATOM 478 O LEU A 31 11.135 -5.606 -6.134 1.00 1.24 O ATOM 479 CB LEU A 31 12.461 -3.899 -3.387 1.00 0.23 C ATOM 480 CG LEU A 31 13.491 -2.793 -3.150 1.00 0.10 C ATOM 481 CD1 LEU A 31 13.174 -2.074 -1.838 1.00 0.27 C ATOM 482 CD2 LEU A 31 14.890 -3.407 -3.069 1.00 0.15 C ATOM 0 H LEU A 31 12.776 -2.659 -5.523 1.00 0.32 H new ATOM 0 HA LEU A 31 13.714 -5.182 -4.585 1.00 0.31 H new ATOM 0 HB2 LEU A 31 11.459 -3.473 -3.432 1.00 0.23 H new ATOM 0 HB3 LEU A 31 12.471 -4.604 -2.555 1.00 0.23 H new ATOM 0 HG LEU A 31 13.454 -2.080 -3.974 1.00 0.10 H new ATOM 0 HD11 LEU A 31 13.908 -1.286 -1.669 1.00 0.27 H new ATOM 0 HD12 LEU A 31 12.177 -1.636 -1.895 1.00 0.27 H new ATOM 0 HD13 LEU A 31 13.211 -2.787 -1.014 1.00 0.27 H new ATOM 0 HD21 LEU A 31 15.624 -2.619 -2.900 1.00 0.15 H new ATOM 0 HD22 LEU A 31 14.927 -4.120 -2.245 1.00 0.15 H new ATOM 0 HD23 LEU A 31 15.117 -3.920 -4.004 1.00 0.15 H new ATOM 494 N THR A 32 11.250 -6.404 -4.089 1.00 0.37 N ATOM 495 CA THR A 32 10.147 -7.373 -4.350 1.00 0.27 C ATOM 496 C THR A 32 9.307 -7.540 -3.082 1.00 0.23 C ATOM 497 O THR A 32 9.793 -7.980 -2.059 1.00 0.25 O ATOM 498 CB THR A 32 10.741 -8.726 -4.751 1.00 0.32 C ATOM 499 OG1 THR A 32 11.914 -8.971 -3.988 1.00 0.58 O ATOM 500 CG2 THR A 32 11.090 -8.712 -6.239 1.00 0.28 C ATOM 0 H THR A 32 11.642 -6.437 -3.148 1.00 0.37 H new ATOM 0 HA THR A 32 9.517 -7.000 -5.157 1.00 0.27 H new ATOM 0 HB THR A 32 10.012 -9.514 -4.560 1.00 0.32 H new ATOM 0 HG1 THR A 32 11.747 -8.744 -3.049 1.00 0.58 H new ATOM 0 HG21 THR A 32 11.513 -9.676 -6.523 1.00 0.28 H new ATOM 0 HG22 THR A 32 10.188 -8.525 -6.822 1.00 0.28 H new ATOM 0 HG23 THR A 32 11.818 -7.925 -6.435 1.00 0.28 H new ATOM 508 N VAL A 33 8.051 -7.189 -3.140 1.00 0.23 N ATOM 509 CA VAL A 33 7.182 -7.325 -1.939 1.00 0.27 C ATOM 510 C VAL A 33 6.460 -8.674 -1.979 1.00 0.28 C ATOM 511 O VAL A 33 6.593 -9.431 -2.919 1.00 0.25 O ATOM 512 CB VAL A 33 6.151 -6.195 -1.925 1.00 0.32 C ATOM 513 CG1 VAL A 33 6.798 -4.907 -2.437 1.00 0.43 C ATOM 514 CG2 VAL A 33 4.975 -6.567 -2.829 1.00 0.31 C ATOM 0 H VAL A 33 7.590 -6.814 -3.969 1.00 0.23 H new ATOM 0 HA VAL A 33 7.795 -7.269 -1.040 1.00 0.27 H new ATOM 0 HB VAL A 33 5.794 -6.043 -0.907 1.00 0.32 H new ATOM 0 HG11 VAL A 33 6.063 -4.102 -2.427 1.00 0.43 H new ATOM 0 HG12 VAL A 33 7.637 -4.641 -1.794 1.00 0.43 H new ATOM 0 HG13 VAL A 33 7.156 -5.059 -3.455 1.00 0.43 H new ATOM 0 HG21 VAL A 33 4.240 -5.762 -2.819 1.00 0.31 H new ATOM 0 HG22 VAL A 33 5.333 -6.720 -3.847 1.00 0.31 H new ATOM 0 HG23 VAL A 33 4.513 -7.485 -2.466 1.00 0.31 H new ATOM 524 N THR A 34 5.694 -8.978 -0.967 1.00 0.37 N ATOM 525 CA THR A 34 4.964 -10.277 -0.949 1.00 0.40 C ATOM 526 C THR A 34 3.566 -10.083 -1.540 1.00 0.38 C ATOM 527 O THR A 34 2.860 -9.156 -1.197 1.00 0.38 O ATOM 528 CB THR A 34 4.843 -10.773 0.494 1.00 0.40 C ATOM 529 OG1 THR A 34 6.065 -11.384 0.885 1.00 0.69 O ATOM 530 CG2 THR A 34 3.707 -11.791 0.592 1.00 0.60 C ATOM 0 H THR A 34 5.542 -8.383 -0.152 1.00 0.37 H new ATOM 0 HA THR A 34 5.511 -11.011 -1.541 1.00 0.40 H new ATOM 0 HB THR A 34 4.629 -9.931 1.152 1.00 0.40 H new ATOM 0 HG1 THR A 34 5.991 -11.701 1.809 1.00 0.69 H new ATOM 0 HG21 THR A 34 3.622 -12.143 1.620 1.00 0.60 H new ATOM 0 HG22 THR A 34 2.771 -11.321 0.291 1.00 0.60 H new ATOM 0 HG23 THR A 34 3.917 -12.635 -0.065 1.00 0.60 H new ATOM 538 N ASP A 35 3.160 -10.952 -2.425 1.00 0.39 N ATOM 539 CA ASP A 35 1.808 -10.816 -3.037 1.00 0.38 C ATOM 540 C ASP A 35 0.758 -11.388 -2.083 1.00 0.36 C ATOM 541 O ASP A 35 0.839 -12.526 -1.664 1.00 0.82 O ATOM 542 CB ASP A 35 1.768 -11.584 -4.360 1.00 0.45 C ATOM 543 CG ASP A 35 0.501 -11.208 -5.130 1.00 0.45 C ATOM 544 OD1 ASP A 35 0.428 -10.085 -5.599 1.00 1.18 O ATOM 545 OD2 ASP A 35 -0.375 -12.050 -5.238 1.00 1.17 O ATOM 0 H ASP A 35 3.706 -11.750 -2.751 1.00 0.39 H new ATOM 0 HA ASP A 35 1.596 -9.763 -3.222 1.00 0.38 H new ATOM 0 HB2 ASP A 35 2.651 -11.350 -4.955 1.00 0.45 H new ATOM 0 HB3 ASP A 35 1.786 -12.657 -4.170 1.00 0.45 H new ATOM 550 N ILE A 36 -0.230 -10.609 -1.736 1.00 0.34 N ATOM 551 CA ILE A 36 -1.284 -11.109 -0.810 1.00 0.28 C ATOM 552 C ILE A 36 -2.436 -11.703 -1.623 1.00 0.23 C ATOM 553 O ILE A 36 -3.291 -12.389 -1.098 1.00 0.42 O ATOM 554 CB ILE A 36 -1.805 -9.951 0.044 1.00 0.30 C ATOM 555 CG1 ILE A 36 -2.149 -8.765 -0.861 1.00 0.32 C ATOM 556 CG2 ILE A 36 -0.729 -9.532 1.045 1.00 0.48 C ATOM 557 CD1 ILE A 36 -2.955 -7.735 -0.069 1.00 0.53 C ATOM 0 H ILE A 36 -0.352 -9.648 -2.054 1.00 0.34 H new ATOM 0 HA ILE A 36 -0.863 -11.877 -0.161 1.00 0.28 H new ATOM 0 HB ILE A 36 -2.698 -10.269 0.582 1.00 0.30 H new ATOM 0 HG12 ILE A 36 -1.236 -8.310 -1.245 1.00 0.32 H new ATOM 0 HG13 ILE A 36 -2.722 -9.106 -1.723 1.00 0.32 H new ATOM 0 HG21 ILE A 36 -1.100 -8.707 1.654 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.483 -10.376 1.689 1.00 0.48 H new ATOM 0 HG23 ILE A 36 0.164 -9.213 0.507 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.200 -6.891 -0.714 1.00 0.53 H new ATOM 0 HD12 ILE A 36 -3.875 -8.194 0.293 1.00 0.53 H new ATOM 0 HD13 ILE A 36 -2.366 -7.385 0.779 1.00 0.53 H new ATOM 569 N PHE A 37 -2.467 -11.445 -2.902 1.00 0.18 N ATOM 570 CA PHE A 37 -3.564 -11.996 -3.747 1.00 0.26 C ATOM 571 C PHE A 37 -3.125 -13.335 -4.343 1.00 0.30 C ATOM 572 O PHE A 37 -3.870 -13.986 -5.048 1.00 0.34 O ATOM 573 CB PHE A 37 -3.880 -11.013 -4.876 1.00 0.27 C ATOM 574 CG PHE A 37 -4.120 -9.640 -4.297 1.00 0.30 C ATOM 575 CD1 PHE A 37 -5.315 -9.365 -3.623 1.00 0.42 C ATOM 576 CD2 PHE A 37 -3.146 -8.643 -4.433 1.00 0.29 C ATOM 577 CE1 PHE A 37 -5.538 -8.091 -3.085 1.00 0.50 C ATOM 578 CE2 PHE A 37 -3.369 -7.370 -3.895 1.00 0.41 C ATOM 579 CZ PHE A 37 -4.565 -7.093 -3.221 1.00 0.50 C ATOM 0 H PHE A 37 -1.780 -10.877 -3.398 1.00 0.18 H new ATOM 0 HA PHE A 37 -4.454 -12.145 -3.136 1.00 0.26 H new ATOM 0 HB2 PHE A 37 -3.053 -10.980 -5.586 1.00 0.27 H new ATOM 0 HB3 PHE A 37 -4.760 -11.346 -5.426 1.00 0.27 H new ATOM 0 HD1 PHE A 37 -6.065 -10.135 -3.518 1.00 0.42 H new ATOM 0 HD2 PHE A 37 -2.223 -8.856 -4.953 1.00 0.29 H new ATOM 0 HE1 PHE A 37 -6.460 -7.878 -2.565 1.00 0.50 H new ATOM 0 HE2 PHE A 37 -2.618 -6.601 -4.000 1.00 0.41 H new ATOM 0 HZ PHE A 37 -4.737 -6.111 -2.806 1.00 0.50 H new ATOM 589 N ALA A 38 -1.919 -13.751 -4.068 1.00 0.35 N ATOM 590 CA ALA A 38 -1.434 -15.048 -4.619 1.00 0.41 C ATOM 591 C ALA A 38 -2.044 -16.202 -3.821 1.00 0.28 C ATOM 592 O ALA A 38 -1.710 -17.352 -4.022 1.00 0.28 O ATOM 593 CB ALA A 38 0.091 -15.107 -4.516 1.00 0.59 C ATOM 0 H ALA A 38 -1.249 -13.249 -3.486 1.00 0.35 H new ATOM 0 HA ALA A 38 -1.731 -15.132 -5.664 1.00 0.41 H new ATOM 0 HB1 ALA A 38 0.446 -16.055 -4.919 1.00 0.59 H new ATOM 0 HB2 ALA A 38 0.526 -14.285 -5.085 1.00 0.59 H new ATOM 0 HB3 ALA A 38 0.389 -15.022 -3.471 1.00 0.59 H new ATOM 599 N ALA A 39 -2.936 -15.904 -2.916 1.00 0.22 N ATOM 600 CA ALA A 39 -3.566 -16.985 -2.107 1.00 0.26 C ATOM 601 C ALA A 39 -4.880 -16.475 -1.511 1.00 0.24 C ATOM 602 O ALA A 39 -5.161 -16.671 -0.345 1.00 0.33 O ATOM 603 CB ALA A 39 -2.619 -17.395 -0.978 1.00 0.43 C ATOM 0 H ALA A 39 -3.255 -14.959 -2.702 1.00 0.22 H new ATOM 0 HA ALA A 39 -3.766 -17.847 -2.744 1.00 0.26 H new ATOM 0 HB1 ALA A 39 -3.080 -18.186 -0.386 1.00 0.43 H new ATOM 0 HB2 ALA A 39 -1.683 -17.758 -1.402 1.00 0.43 H new ATOM 0 HB3 ALA A 39 -2.419 -16.534 -0.340 1.00 0.43 H new ATOM 609 N SER A 40 -5.687 -15.822 -2.301 1.00 0.25 N ATOM 610 CA SER A 40 -6.982 -15.301 -1.778 1.00 0.33 C ATOM 611 C SER A 40 -8.073 -16.355 -1.977 1.00 0.32 C ATOM 612 O SER A 40 -8.835 -16.303 -2.922 1.00 0.49 O ATOM 613 CB SER A 40 -7.361 -14.027 -2.533 1.00 0.43 C ATOM 614 OG SER A 40 -8.777 -13.945 -2.636 1.00 1.20 O ATOM 0 H SER A 40 -5.506 -15.627 -3.286 1.00 0.25 H new ATOM 0 HA SER A 40 -6.881 -15.078 -0.716 1.00 0.33 H new ATOM 0 HB2 SER A 40 -6.972 -13.152 -2.012 1.00 0.43 H new ATOM 0 HB3 SER A 40 -6.912 -14.032 -3.526 1.00 0.43 H new ATOM 0 HG SER A 40 -9.108 -14.683 -3.189 1.00 1.20 H new ATOM 620 N LYS A 41 -8.154 -17.312 -1.094 1.00 0.44 N ATOM 621 CA LYS A 41 -9.196 -18.368 -1.233 1.00 0.45 C ATOM 622 C LYS A 41 -10.574 -17.763 -0.958 1.00 0.91 C ATOM 623 O LYS A 41 -11.437 -17.744 -1.815 1.00 1.42 O ATOM 624 CB LYS A 41 -8.923 -19.490 -0.229 1.00 0.33 C ATOM 625 CG LYS A 41 -7.711 -20.303 -0.689 1.00 0.72 C ATOM 626 CD LYS A 41 -7.278 -21.252 0.430 1.00 1.50 C ATOM 627 CE LYS A 41 -5.992 -21.973 0.019 1.00 1.51 C ATOM 628 NZ LYS A 41 -6.132 -22.483 -1.373 1.00 1.18 N ATOM 0 H LYS A 41 -7.544 -17.408 -0.282 1.00 0.44 H new ATOM 0 HA LYS A 41 -9.171 -18.772 -2.245 1.00 0.45 H new ATOM 0 HB2 LYS A 41 -8.739 -19.070 0.760 1.00 0.33 H new ATOM 0 HB3 LYS A 41 -9.797 -20.136 -0.143 1.00 0.33 H new ATOM 0 HG2 LYS A 41 -7.960 -20.871 -1.586 1.00 0.72 H new ATOM 0 HG3 LYS A 41 -6.890 -19.635 -0.952 1.00 0.72 H new ATOM 0 HD2 LYS A 41 -7.116 -20.694 1.352 1.00 1.50 H new ATOM 0 HD3 LYS A 41 -8.066 -21.978 0.631 1.00 1.50 H new ATOM 0 HE2 LYS A 41 -5.144 -21.292 0.084 1.00 1.51 H new ATOM 0 HE3 LYS A 41 -5.791 -22.799 0.702 1.00 1.51 H new ATOM 0 HZ1 LYS A 41 -5.460 -23.262 -1.527 1.00 1.18 H new ATOM 0 HZ2 LYS A 41 -7.102 -22.828 -1.520 1.00 1.18 H new ATOM 0 HZ3 LYS A 41 -5.932 -21.716 -2.046 1.00 1.18 H new ATOM 642 N ASP A 42 -10.789 -17.270 0.231 1.00 1.20 N ATOM 643 CA ASP A 42 -12.112 -16.667 0.559 1.00 1.88 C ATOM 644 C ASP A 42 -11.924 -15.556 1.595 1.00 1.51 C ATOM 645 O ASP A 42 -12.830 -15.222 2.332 1.00 1.69 O ATOM 646 CB ASP A 42 -13.037 -17.745 1.130 1.00 2.56 C ATOM 647 CG ASP A 42 -13.488 -18.679 0.006 1.00 3.87 C ATOM 648 OD1 ASP A 42 -14.368 -18.288 -0.744 1.00 5.14 O ATOM 649 OD2 ASP A 42 -12.947 -19.768 -0.087 1.00 3.90 O ATOM 0 H ASP A 42 -10.106 -17.259 0.989 1.00 1.20 H new ATOM 0 HA ASP A 42 -12.555 -16.250 -0.345 1.00 1.88 H new ATOM 0 HB2 ASP A 42 -12.518 -18.313 1.902 1.00 2.56 H new ATOM 0 HB3 ASP A 42 -13.904 -17.282 1.602 1.00 2.56 H new ATOM 654 N THR A 43 -10.754 -14.982 1.656 1.00 1.03 N ATOM 655 CA THR A 43 -10.510 -13.894 2.643 1.00 0.67 C ATOM 656 C THR A 43 -11.473 -12.736 2.375 1.00 0.67 C ATOM 657 O THR A 43 -11.802 -12.438 1.244 1.00 0.93 O ATOM 658 CB THR A 43 -9.067 -13.398 2.509 1.00 0.65 C ATOM 659 OG1 THR A 43 -8.695 -13.392 1.138 1.00 0.65 O ATOM 660 CG2 THR A 43 -8.133 -14.324 3.290 1.00 0.56 C ATOM 0 H THR A 43 -9.957 -15.220 1.065 1.00 1.03 H new ATOM 0 HA THR A 43 -10.672 -14.275 3.651 1.00 0.67 H new ATOM 0 HB THR A 43 -8.991 -12.387 2.910 1.00 0.65 H new ATOM 0 HG1 THR A 43 -7.772 -13.073 1.051 1.00 0.65 H new ATOM 0 HG21 THR A 43 -7.106 -13.970 3.194 1.00 0.56 H new ATOM 0 HG22 THR A 43 -8.419 -14.327 4.342 1.00 0.56 H new ATOM 0 HG23 THR A 43 -8.207 -15.336 2.891 1.00 0.56 H new ATOM 668 N THR A 44 -11.928 -12.079 3.407 1.00 0.51 N ATOM 669 CA THR A 44 -12.869 -10.941 3.210 1.00 0.75 C ATOM 670 C THR A 44 -12.075 -9.663 2.940 1.00 0.73 C ATOM 671 O THR A 44 -10.905 -9.570 3.253 1.00 0.90 O ATOM 672 CB THR A 44 -13.719 -10.758 4.470 1.00 0.84 C ATOM 673 OG1 THR A 44 -14.361 -11.985 4.790 1.00 1.36 O ATOM 674 CG2 THR A 44 -14.773 -9.677 4.226 1.00 2.38 C ATOM 0 H THR A 44 -11.689 -12.281 4.378 1.00 0.51 H new ATOM 0 HA THR A 44 -13.519 -11.150 2.360 1.00 0.75 H new ATOM 0 HB THR A 44 -13.078 -10.456 5.299 1.00 0.84 H new ATOM 0 HG1 THR A 44 -14.904 -11.869 5.598 1.00 1.36 H new ATOM 0 HG21 THR A 44 -15.377 -9.548 5.124 1.00 2.38 H new ATOM 0 HG22 THR A 44 -14.280 -8.736 3.983 1.00 2.38 H new ATOM 0 HG23 THR A 44 -15.415 -9.975 3.397 1.00 2.38 H new ATOM 682 N GLU A 45 -12.702 -8.675 2.361 1.00 0.55 N ATOM 683 CA GLU A 45 -11.981 -7.403 2.072 1.00 0.52 C ATOM 684 C GLU A 45 -11.230 -6.946 3.324 1.00 0.48 C ATOM 685 O GLU A 45 -10.145 -6.406 3.247 1.00 0.43 O ATOM 686 CB GLU A 45 -12.990 -6.328 1.660 1.00 0.56 C ATOM 687 CG GLU A 45 -14.217 -6.992 1.033 1.00 0.66 C ATOM 688 CD GLU A 45 -15.034 -5.944 0.276 1.00 1.40 C ATOM 689 OE1 GLU A 45 -14.469 -5.292 -0.588 1.00 2.32 O ATOM 690 OE2 GLU A 45 -16.210 -5.812 0.570 1.00 1.82 O ATOM 0 H GLU A 45 -13.681 -8.694 2.076 1.00 0.55 H new ATOM 0 HA GLU A 45 -11.270 -7.564 1.262 1.00 0.52 H new ATOM 0 HB2 GLU A 45 -13.286 -5.740 2.529 1.00 0.56 H new ATOM 0 HB3 GLU A 45 -12.533 -5.639 0.949 1.00 0.56 H new ATOM 0 HG2 GLU A 45 -13.907 -7.786 0.354 1.00 0.66 H new ATOM 0 HG3 GLU A 45 -14.828 -7.455 1.807 1.00 0.66 H new ATOM 697 N LYS A 46 -11.800 -7.157 4.479 1.00 0.50 N ATOM 698 CA LYS A 46 -11.118 -6.733 5.734 1.00 0.47 C ATOM 699 C LYS A 46 -9.736 -7.386 5.809 1.00 0.40 C ATOM 700 O LYS A 46 -8.729 -6.717 5.935 1.00 0.39 O ATOM 701 CB LYS A 46 -11.954 -7.170 6.940 1.00 0.50 C ATOM 702 CG LYS A 46 -13.324 -6.491 6.885 1.00 0.40 C ATOM 703 CD LYS A 46 -13.588 -5.765 8.206 1.00 0.53 C ATOM 704 CE LYS A 46 -15.022 -5.234 8.219 1.00 0.82 C ATOM 705 NZ LYS A 46 -15.215 -4.296 7.078 1.00 1.63 N ATOM 0 H LYS A 46 -12.708 -7.604 4.607 1.00 0.50 H new ATOM 0 HA LYS A 46 -11.008 -5.649 5.740 1.00 0.47 H new ATOM 0 HB2 LYS A 46 -12.073 -8.253 6.940 1.00 0.50 H new ATOM 0 HB3 LYS A 46 -11.442 -6.906 7.865 1.00 0.50 H new ATOM 0 HG2 LYS A 46 -13.358 -5.784 6.056 1.00 0.40 H new ATOM 0 HG3 LYS A 46 -14.102 -7.232 6.704 1.00 0.40 H new ATOM 0 HD2 LYS A 46 -13.433 -6.445 9.044 1.00 0.53 H new ATOM 0 HD3 LYS A 46 -12.883 -4.942 8.328 1.00 0.53 H new ATOM 0 HE2 LYS A 46 -15.728 -6.061 8.147 1.00 0.82 H new ATOM 0 HE3 LYS A 46 -15.224 -4.724 9.161 1.00 0.82 H new ATOM 0 HZ1 LYS A 46 -16.076 -3.734 7.232 1.00 1.63 H new ATOM 0 HZ2 LYS A 46 -14.395 -3.660 7.009 1.00 1.63 H new ATOM 0 HZ3 LYS A 46 -15.309 -4.838 6.195 1.00 1.63 H new ATOM 719 N GLU A 47 -9.680 -8.687 5.732 1.00 0.37 N ATOM 720 CA GLU A 47 -8.362 -9.381 5.798 1.00 0.32 C ATOM 721 C GLU A 47 -7.513 -8.982 4.589 1.00 0.29 C ATOM 722 O GLU A 47 -6.320 -9.206 4.555 1.00 0.15 O ATOM 723 CB GLU A 47 -8.581 -10.896 5.790 1.00 0.34 C ATOM 724 CG GLU A 47 -9.253 -11.322 7.097 1.00 0.44 C ATOM 725 CD GLU A 47 -9.354 -12.847 7.144 1.00 0.81 C ATOM 726 OE1 GLU A 47 -10.190 -13.388 6.440 1.00 2.21 O ATOM 727 OE2 GLU A 47 -8.594 -13.449 7.886 1.00 1.09 O ATOM 0 H GLU A 47 -10.489 -9.299 5.626 1.00 0.37 H new ATOM 0 HA GLU A 47 -7.847 -9.093 6.714 1.00 0.32 H new ATOM 0 HB2 GLU A 47 -9.202 -11.180 4.940 1.00 0.34 H new ATOM 0 HB3 GLU A 47 -7.627 -11.411 5.674 1.00 0.34 H new ATOM 0 HG2 GLU A 47 -8.679 -10.958 7.949 1.00 0.44 H new ATOM 0 HG3 GLU A 47 -10.246 -10.879 7.169 1.00 0.44 H new ATOM 734 N THR A 48 -8.120 -8.393 3.595 1.00 0.46 N ATOM 735 CA THR A 48 -7.348 -7.981 2.389 1.00 0.44 C ATOM 736 C THR A 48 -6.599 -6.679 2.684 1.00 0.41 C ATOM 737 O THR A 48 -5.426 -6.547 2.392 1.00 0.42 O ATOM 738 CB THR A 48 -8.308 -7.763 1.218 1.00 0.47 C ATOM 739 OG1 THR A 48 -9.265 -8.813 1.191 1.00 0.53 O ATOM 740 CG2 THR A 48 -7.522 -7.753 -0.094 1.00 0.43 C ATOM 0 H THR A 48 -9.117 -8.179 3.566 1.00 0.46 H new ATOM 0 HA THR A 48 -6.633 -8.762 2.131 1.00 0.44 H new ATOM 0 HB THR A 48 -8.819 -6.808 1.340 1.00 0.47 H new ATOM 0 HG1 THR A 48 -9.768 -8.819 2.032 1.00 0.53 H new ATOM 0 HG21 THR A 48 -8.207 -7.598 -0.927 1.00 0.43 H new ATOM 0 HG22 THR A 48 -6.788 -6.947 -0.072 1.00 0.43 H new ATOM 0 HG23 THR A 48 -7.010 -8.707 -0.219 1.00 0.43 H new ATOM 748 N PHE A 49 -7.266 -5.716 3.259 1.00 0.43 N ATOM 749 CA PHE A 49 -6.591 -4.426 3.570 1.00 0.40 C ATOM 750 C PHE A 49 -5.546 -4.647 4.667 1.00 0.38 C ATOM 751 O PHE A 49 -4.562 -3.940 4.750 1.00 0.42 O ATOM 752 CB PHE A 49 -7.629 -3.410 4.053 1.00 0.43 C ATOM 753 CG PHE A 49 -8.670 -3.204 2.979 1.00 0.45 C ATOM 754 CD1 PHE A 49 -8.330 -2.539 1.795 1.00 0.47 C ATOM 755 CD2 PHE A 49 -9.975 -3.678 3.165 1.00 0.44 C ATOM 756 CE1 PHE A 49 -9.294 -2.347 0.798 1.00 0.49 C ATOM 757 CE2 PHE A 49 -10.939 -3.487 2.168 1.00 0.45 C ATOM 758 CZ PHE A 49 -10.598 -2.821 0.985 1.00 0.47 C ATOM 0 H PHE A 49 -8.249 -5.767 3.527 1.00 0.43 H new ATOM 0 HA PHE A 49 -6.101 -4.048 2.673 1.00 0.40 H new ATOM 0 HB2 PHE A 49 -8.102 -3.764 4.969 1.00 0.43 H new ATOM 0 HB3 PHE A 49 -7.144 -2.463 4.290 1.00 0.43 H new ATOM 0 HD1 PHE A 49 -7.324 -2.174 1.651 1.00 0.47 H new ATOM 0 HD2 PHE A 49 -10.238 -4.191 4.078 1.00 0.44 H new ATOM 0 HE1 PHE A 49 -9.032 -1.833 -0.115 1.00 0.49 H new ATOM 0 HE2 PHE A 49 -11.945 -3.853 2.311 1.00 0.45 H new ATOM 0 HZ PHE A 49 -11.341 -2.673 0.216 1.00 0.47 H new ATOM 768 N CYS A 50 -5.751 -5.624 5.507 1.00 0.32 N ATOM 769 CA CYS A 50 -4.769 -5.890 6.595 1.00 0.30 C ATOM 770 C CYS A 50 -3.498 -6.496 5.999 1.00 0.25 C ATOM 771 O CYS A 50 -2.433 -5.915 6.059 1.00 0.22 O ATOM 772 CB CYS A 50 -5.376 -6.867 7.603 1.00 0.33 C ATOM 773 SG CYS A 50 -4.047 -7.742 8.468 1.00 0.22 S ATOM 0 H CYS A 50 -6.556 -6.250 5.487 1.00 0.32 H new ATOM 0 HA CYS A 50 -4.523 -4.955 7.098 1.00 0.30 H new ATOM 0 HB2 CYS A 50 -5.998 -6.329 8.318 1.00 0.33 H new ATOM 0 HB3 CYS A 50 -6.023 -7.580 7.091 1.00 0.33 H new ATOM 778 N ARG A 51 -3.601 -7.663 5.422 1.00 0.26 N ATOM 779 CA ARG A 51 -2.398 -8.305 4.821 1.00 0.23 C ATOM 780 C ARG A 51 -1.656 -7.286 3.956 1.00 0.17 C ATOM 781 O ARG A 51 -0.445 -7.190 3.993 1.00 0.15 O ATOM 782 CB ARG A 51 -2.832 -9.490 3.956 1.00 0.26 C ATOM 783 CG ARG A 51 -3.475 -10.560 4.840 1.00 0.38 C ATOM 784 CD ARG A 51 -3.970 -11.715 3.967 1.00 0.45 C ATOM 785 NE ARG A 51 -2.815 -12.564 3.565 1.00 0.61 N ATOM 786 CZ ARG A 51 -3.020 -13.757 3.077 1.00 0.73 C ATOM 787 NH1 ARG A 51 -4.237 -14.206 2.940 1.00 0.35 N ATOM 788 NH2 ARG A 51 -2.007 -14.501 2.725 1.00 1.60 N ATOM 0 H ARG A 51 -4.465 -8.198 5.341 1.00 0.26 H new ATOM 0 HA ARG A 51 -1.738 -8.657 5.614 1.00 0.23 H new ATOM 0 HB2 ARG A 51 -3.539 -9.159 3.195 1.00 0.26 H new ATOM 0 HB3 ARG A 51 -1.971 -9.906 3.432 1.00 0.26 H new ATOM 0 HG2 ARG A 51 -2.753 -10.926 5.570 1.00 0.38 H new ATOM 0 HG3 ARG A 51 -4.306 -10.132 5.401 1.00 0.38 H new ATOM 0 HD2 ARG A 51 -4.700 -12.311 4.514 1.00 0.45 H new ATOM 0 HD3 ARG A 51 -4.474 -11.326 3.082 1.00 0.45 H new ATOM 0 HE ARG A 51 -1.863 -12.213 3.671 1.00 0.61 H new ATOM 0 HH11 ARG A 51 -5.029 -13.625 3.214 1.00 0.35 H new ATOM 0 HH12 ARG A 51 -4.397 -15.138 2.559 1.00 0.35 H new ATOM 0 HH21 ARG A 51 -1.055 -14.150 2.831 1.00 1.60 H new ATOM 0 HH22 ARG A 51 -2.167 -15.433 2.344 1.00 1.60 H new ATOM 802 N ALA A 52 -2.372 -6.522 3.177 1.00 0.14 N ATOM 803 CA ALA A 52 -1.707 -5.510 2.310 1.00 0.09 C ATOM 804 C ALA A 52 -0.871 -4.567 3.178 1.00 0.08 C ATOM 805 O ALA A 52 0.267 -4.271 2.872 1.00 0.09 O ATOM 806 CB ALA A 52 -2.770 -4.704 1.558 1.00 0.10 C ATOM 0 H ALA A 52 -3.389 -6.555 3.104 1.00 0.14 H new ATOM 0 HA ALA A 52 -1.060 -6.014 1.593 1.00 0.09 H new ATOM 0 HB1 ALA A 52 -2.284 -3.963 0.923 1.00 0.10 H new ATOM 0 HB2 ALA A 52 -3.366 -5.376 0.940 1.00 0.10 H new ATOM 0 HB3 ALA A 52 -3.418 -4.199 2.274 1.00 0.10 H new ATOM 812 N ALA A 53 -1.427 -4.094 4.260 1.00 0.10 N ATOM 813 CA ALA A 53 -0.663 -3.171 5.146 1.00 0.14 C ATOM 814 C ALA A 53 0.524 -3.918 5.758 1.00 0.11 C ATOM 815 O ALA A 53 1.617 -3.397 5.850 1.00 0.10 O ATOM 816 CB ALA A 53 -1.578 -2.664 6.262 1.00 0.21 C ATOM 0 H ALA A 53 -2.376 -4.307 4.568 1.00 0.10 H new ATOM 0 HA ALA A 53 -0.298 -2.325 4.563 1.00 0.14 H new ATOM 0 HB1 ALA A 53 -1.020 -1.989 6.911 1.00 0.21 H new ATOM 0 HB2 ALA A 53 -2.424 -2.132 5.826 1.00 0.21 H new ATOM 0 HB3 ALA A 53 -1.943 -3.509 6.846 1.00 0.21 H new ATOM 822 N THR A 54 0.317 -5.136 6.178 1.00 0.10 N ATOM 823 CA THR A 54 1.434 -5.914 6.782 1.00 0.08 C ATOM 824 C THR A 54 2.662 -5.833 5.873 1.00 0.05 C ATOM 825 O THR A 54 3.775 -5.662 6.331 1.00 0.02 O ATOM 826 CB THR A 54 1.012 -7.377 6.939 1.00 0.09 C ATOM 827 OG1 THR A 54 -0.239 -7.438 7.612 1.00 0.12 O ATOM 828 CG2 THR A 54 2.066 -8.132 7.750 1.00 0.08 C ATOM 0 H THR A 54 -0.577 -5.625 6.129 1.00 0.10 H new ATOM 0 HA THR A 54 1.677 -5.499 7.760 1.00 0.08 H new ATOM 0 HB THR A 54 0.919 -7.835 5.954 1.00 0.09 H new ATOM 0 HG1 THR A 54 -0.511 -8.374 7.712 1.00 0.12 H new ATOM 0 HG21 THR A 54 1.763 -9.173 7.860 1.00 0.08 H new ATOM 0 HG22 THR A 54 3.025 -8.086 7.233 1.00 0.08 H new ATOM 0 HG23 THR A 54 2.163 -7.676 8.735 1.00 0.08 H new ATOM 836 N VAL A 55 2.470 -5.955 4.589 1.00 0.10 N ATOM 837 CA VAL A 55 3.626 -5.885 3.652 1.00 0.08 C ATOM 838 C VAL A 55 4.168 -4.455 3.618 1.00 0.11 C ATOM 839 O VAL A 55 5.289 -4.195 4.012 1.00 0.12 O ATOM 840 CB VAL A 55 3.170 -6.291 2.250 1.00 0.05 C ATOM 841 CG1 VAL A 55 4.341 -6.165 1.275 1.00 0.06 C ATOM 842 CG2 VAL A 55 2.681 -7.740 2.272 1.00 0.13 C ATOM 0 H VAL A 55 1.562 -6.100 4.148 1.00 0.10 H new ATOM 0 HA VAL A 55 4.410 -6.563 3.990 1.00 0.08 H new ATOM 0 HB VAL A 55 2.358 -5.637 1.930 1.00 0.05 H new ATOM 0 HG11 VAL A 55 4.015 -6.455 0.276 1.00 0.06 H new ATOM 0 HG12 VAL A 55 4.691 -5.133 1.258 1.00 0.06 H new ATOM 0 HG13 VAL A 55 5.153 -6.818 1.595 1.00 0.06 H new ATOM 0 HG21 VAL A 55 2.356 -8.030 1.273 1.00 0.13 H new ATOM 0 HG22 VAL A 55 3.493 -8.393 2.593 1.00 0.13 H new ATOM 0 HG23 VAL A 55 1.846 -7.832 2.966 1.00 0.13 H new ATOM 852 N LEU A 56 3.381 -3.523 3.152 1.00 0.18 N ATOM 853 CA LEU A 56 3.851 -2.110 3.094 1.00 0.24 C ATOM 854 C LEU A 56 4.490 -1.733 4.431 1.00 0.27 C ATOM 855 O LEU A 56 5.369 -0.897 4.497 1.00 0.31 O ATOM 856 CB LEU A 56 2.661 -1.186 2.818 1.00 0.34 C ATOM 857 CG LEU A 56 1.920 -1.661 1.567 1.00 0.34 C ATOM 858 CD1 LEU A 56 0.733 -0.736 1.295 1.00 0.44 C ATOM 859 CD2 LEU A 56 2.870 -1.634 0.367 1.00 0.54 C ATOM 0 H LEU A 56 2.433 -3.680 2.809 1.00 0.18 H new ATOM 0 HA LEU A 56 4.585 -2.003 2.296 1.00 0.24 H new ATOM 0 HB2 LEU A 56 1.985 -1.182 3.673 1.00 0.34 H new ATOM 0 HB3 LEU A 56 3.008 -0.162 2.680 1.00 0.34 H new ATOM 0 HG LEU A 56 1.561 -2.678 1.724 1.00 0.34 H new ATOM 0 HD11 LEU A 56 0.205 -1.074 0.404 1.00 0.44 H new ATOM 0 HD12 LEU A 56 0.054 -0.755 2.148 1.00 0.44 H new ATOM 0 HD13 LEU A 56 1.093 0.281 1.140 1.00 0.44 H new ATOM 0 HD21 LEU A 56 2.341 -1.973 -0.524 1.00 0.54 H new ATOM 0 HD22 LEU A 56 3.230 -0.617 0.211 1.00 0.54 H new ATOM 0 HD23 LEU A 56 3.717 -2.293 0.558 1.00 0.54 H new ATOM 871 N ARG A 57 4.059 -2.347 5.498 1.00 0.27 N ATOM 872 CA ARG A 57 4.647 -2.023 6.828 1.00 0.34 C ATOM 873 C ARG A 57 6.117 -2.444 6.847 1.00 0.32 C ATOM 874 O ARG A 57 7.006 -1.625 6.967 1.00 0.34 O ATOM 875 CB ARG A 57 3.885 -2.777 7.919 1.00 0.38 C ATOM 876 CG ARG A 57 4.255 -2.204 9.289 1.00 0.25 C ATOM 877 CD ARG A 57 4.276 -3.330 10.324 1.00 0.75 C ATOM 878 NE ARG A 57 4.475 -2.750 11.683 1.00 1.14 N ATOM 879 CZ ARG A 57 4.231 -3.473 12.742 1.00 1.35 C ATOM 880 NH1 ARG A 57 3.817 -4.704 12.612 1.00 1.34 N ATOM 881 NH2 ARG A 57 4.404 -2.966 13.932 1.00 1.95 N ATOM 0 H ARG A 57 3.327 -3.057 5.507 1.00 0.27 H new ATOM 0 HA ARG A 57 4.573 -0.951 7.010 1.00 0.34 H new ATOM 0 HB2 ARG A 57 2.811 -2.689 7.754 1.00 0.38 H new ATOM 0 HB3 ARG A 57 4.128 -3.839 7.879 1.00 0.38 H new ATOM 0 HG2 ARG A 57 5.231 -1.721 9.242 1.00 0.25 H new ATOM 0 HG3 ARG A 57 3.535 -1.440 9.582 1.00 0.25 H new ATOM 0 HD2 ARG A 57 3.341 -3.889 10.289 1.00 0.75 H new ATOM 0 HD3 ARG A 57 5.077 -4.034 10.096 1.00 0.75 H new ATOM 0 HE ARG A 57 4.802 -1.789 11.785 1.00 1.14 H new ATOM 0 HH11 ARG A 57 3.684 -5.102 11.682 1.00 1.34 H new ATOM 0 HH12 ARG A 57 3.627 -5.268 13.440 1.00 1.34 H new ATOM 0 HH21 ARG A 57 4.730 -2.005 14.034 1.00 1.95 H new ATOM 0 HH22 ARG A 57 4.213 -3.531 14.760 1.00 1.95 H new ATOM 895 N GLN A 58 6.380 -3.716 6.732 1.00 0.29 N ATOM 896 CA GLN A 58 7.792 -4.192 6.746 1.00 0.30 C ATOM 897 C GLN A 58 8.538 -3.629 5.532 1.00 0.26 C ATOM 898 O GLN A 58 9.722 -3.847 5.366 1.00 0.28 O ATOM 899 CB GLN A 58 7.816 -5.721 6.693 1.00 0.29 C ATOM 900 CG GLN A 58 7.015 -6.202 5.482 1.00 0.26 C ATOM 901 CD GLN A 58 7.016 -7.732 5.445 1.00 0.57 C ATOM 902 OE1 GLN A 58 7.003 -8.376 6.476 1.00 1.53 O ATOM 903 NE2 GLN A 58 7.030 -8.345 4.293 1.00 0.80 N ATOM 0 H GLN A 58 5.677 -4.448 6.629 1.00 0.29 H new ATOM 0 HA GLN A 58 8.278 -3.851 7.660 1.00 0.30 H new ATOM 0 HB2 GLN A 58 8.844 -6.077 6.627 1.00 0.29 H new ATOM 0 HB3 GLN A 58 7.394 -6.134 7.609 1.00 0.29 H new ATOM 0 HG2 GLN A 58 5.992 -5.830 5.538 1.00 0.26 H new ATOM 0 HG3 GLN A 58 7.449 -5.805 4.564 1.00 0.26 H new ATOM 0 HE21 GLN A 58 7.041 -7.805 3.428 1.00 0.80 H new ATOM 0 HE22 GLN A 58 7.030 -9.364 4.258 1.00 0.80 H new ATOM 912 N PHE A 59 7.858 -2.912 4.681 1.00 0.21 N ATOM 913 CA PHE A 59 8.536 -2.345 3.480 1.00 0.18 C ATOM 914 C PHE A 59 9.227 -1.029 3.846 1.00 0.20 C ATOM 915 O PHE A 59 10.439 -0.943 3.880 1.00 0.23 O ATOM 916 CB PHE A 59 7.504 -2.087 2.381 1.00 0.16 C ATOM 917 CG PHE A 59 8.210 -1.635 1.124 1.00 0.17 C ATOM 918 CD1 PHE A 59 8.724 -2.582 0.230 1.00 0.19 C ATOM 919 CD2 PHE A 59 8.350 -0.269 0.854 1.00 0.17 C ATOM 920 CE1 PHE A 59 9.378 -2.161 -0.934 1.00 0.22 C ATOM 921 CE2 PHE A 59 9.004 0.152 -0.310 1.00 0.19 C ATOM 922 CZ PHE A 59 9.518 -0.794 -1.205 1.00 0.22 C ATOM 0 H PHE A 59 6.865 -2.694 4.764 1.00 0.21 H new ATOM 0 HA PHE A 59 9.280 -3.056 3.122 1.00 0.18 H new ATOM 0 HB2 PHE A 59 6.932 -2.994 2.184 1.00 0.16 H new ATOM 0 HB3 PHE A 59 6.794 -1.327 2.705 1.00 0.16 H new ATOM 0 HD1 PHE A 59 8.616 -3.636 0.438 1.00 0.19 H new ATOM 0 HD2 PHE A 59 7.953 0.461 1.544 1.00 0.17 H new ATOM 0 HE1 PHE A 59 9.775 -2.891 -1.624 1.00 0.22 H new ATOM 0 HE2 PHE A 59 9.112 1.206 -0.518 1.00 0.19 H new ATOM 0 HZ PHE A 59 10.022 -0.470 -2.104 1.00 0.22 H new ATOM 932 N TYR A 60 8.469 0.001 4.110 1.00 0.20 N ATOM 933 CA TYR A 60 9.091 1.311 4.460 1.00 0.23 C ATOM 934 C TYR A 60 9.580 1.288 5.911 1.00 0.32 C ATOM 935 O TYR A 60 10.152 2.244 6.394 1.00 0.41 O ATOM 936 CB TYR A 60 8.064 2.433 4.284 1.00 0.29 C ATOM 937 CG TYR A 60 6.938 2.254 5.275 1.00 0.38 C ATOM 938 CD1 TYR A 60 7.098 2.673 6.602 1.00 0.47 C ATOM 939 CD2 TYR A 60 5.733 1.673 4.866 1.00 0.40 C ATOM 940 CE1 TYR A 60 6.053 2.509 7.519 1.00 0.56 C ATOM 941 CE2 TYR A 60 4.688 1.508 5.783 1.00 0.49 C ATOM 942 CZ TYR A 60 4.848 1.926 7.110 1.00 0.56 C ATOM 943 OH TYR A 60 3.817 1.763 8.013 1.00 0.65 O ATOM 0 H TYR A 60 7.449 -0.007 4.099 1.00 0.20 H new ATOM 0 HA TYR A 60 9.940 1.488 3.799 1.00 0.23 H new ATOM 0 HB2 TYR A 60 8.541 3.402 4.432 1.00 0.29 H new ATOM 0 HB3 TYR A 60 7.671 2.423 3.267 1.00 0.29 H new ATOM 0 HD1 TYR A 60 8.028 3.123 6.918 1.00 0.47 H new ATOM 0 HD2 TYR A 60 5.609 1.352 3.842 1.00 0.40 H new ATOM 0 HE1 TYR A 60 6.177 2.832 8.542 1.00 0.56 H new ATOM 0 HE2 TYR A 60 3.758 1.058 5.467 1.00 0.49 H new ATOM 0 HH TYR A 60 3.859 2.471 8.689 1.00 0.65 H new ATOM 953 N SER A 61 9.363 0.208 6.612 1.00 0.32 N ATOM 954 CA SER A 61 9.820 0.138 8.029 1.00 0.41 C ATOM 955 C SER A 61 11.219 -0.479 8.086 1.00 0.43 C ATOM 956 O SER A 61 12.072 -0.038 8.832 1.00 0.49 O ATOM 957 CB SER A 61 8.851 -0.723 8.839 1.00 0.48 C ATOM 958 OG SER A 61 7.545 -0.168 8.752 1.00 0.49 O ATOM 0 H SER A 61 8.890 -0.627 6.266 1.00 0.32 H new ATOM 0 HA SER A 61 9.849 1.144 8.448 1.00 0.41 H new ATOM 0 HB2 SER A 61 8.850 -1.745 8.460 1.00 0.48 H new ATOM 0 HB3 SER A 61 9.170 -0.769 9.880 1.00 0.48 H new ATOM 0 HG SER A 61 7.032 -0.646 8.067 1.00 0.49 H new ATOM 964 N HIS A 62 11.463 -1.498 7.308 1.00 0.39 N ATOM 965 CA HIS A 62 12.807 -2.143 7.323 1.00 0.45 C ATOM 966 C HIS A 62 13.712 -1.471 6.287 1.00 0.41 C ATOM 967 O HIS A 62 14.796 -1.020 6.596 1.00 0.77 O ATOM 968 CB HIS A 62 12.663 -3.628 6.985 1.00 0.46 C ATOM 969 CG HIS A 62 12.227 -4.381 8.212 1.00 0.60 C ATOM 970 ND1 HIS A 62 12.999 -5.386 8.776 1.00 1.02 N ATOM 971 CD2 HIS A 62 11.103 -4.288 8.994 1.00 1.75 C ATOM 972 CE1 HIS A 62 12.335 -5.852 9.850 1.00 0.70 C ATOM 973 NE2 HIS A 62 11.173 -5.217 10.028 1.00 1.29 N ATOM 0 H HIS A 62 10.790 -1.912 6.663 1.00 0.39 H new ATOM 0 HA HIS A 62 13.249 -2.035 8.314 1.00 0.45 H new ATOM 0 HB2 HIS A 62 11.934 -3.761 6.185 1.00 0.46 H new ATOM 0 HB3 HIS A 62 13.611 -4.023 6.621 1.00 0.46 H new ATOM 0 HD2 HIS A 62 10.288 -3.598 8.832 1.00 1.75 H new ATOM 0 HE1 HIS A 62 12.697 -6.643 10.490 1.00 0.70 H new ATOM 0 HE2 HIS A 62 10.485 -5.378 10.764 1.00 1.29 H new ATOM 981 N HIS A 63 13.275 -1.403 5.059 1.00 0.17 N ATOM 982 CA HIS A 63 14.111 -0.764 4.004 1.00 0.24 C ATOM 983 C HIS A 63 14.590 0.606 4.489 1.00 0.26 C ATOM 984 O HIS A 63 15.755 0.936 4.392 1.00 0.32 O ATOM 985 CB HIS A 63 13.278 -0.587 2.733 1.00 0.23 C ATOM 986 CG HIS A 63 12.869 -1.938 2.212 1.00 0.25 C ATOM 987 ND1 HIS A 63 13.766 -2.987 2.096 1.00 0.48 N ATOM 988 CD2 HIS A 63 11.663 -2.423 1.770 1.00 0.16 C ATOM 989 CE1 HIS A 63 13.093 -4.043 1.602 1.00 0.51 C ATOM 990 NE2 HIS A 63 11.807 -3.754 1.386 1.00 0.34 N ATOM 0 H HIS A 63 12.375 -1.762 4.741 1.00 0.17 H new ATOM 0 HA HIS A 63 14.973 -1.397 3.793 1.00 0.24 H new ATOM 0 HB2 HIS A 63 12.395 0.016 2.945 1.00 0.23 H new ATOM 0 HB3 HIS A 63 13.855 -0.053 1.978 1.00 0.23 H new ATOM 0 HD2 HIS A 63 10.743 -1.859 1.727 1.00 0.16 H new ATOM 0 HE1 HIS A 63 13.539 -5.007 1.404 1.00 0.51 H new ATOM 0 HE2 HIS A 63 11.086 -4.375 1.019 1.00 0.34 H new ATOM 998 N GLU A 64 13.699 1.407 5.006 1.00 0.21 N ATOM 999 CA GLU A 64 14.100 2.756 5.494 1.00 0.24 C ATOM 1000 C GLU A 64 15.367 2.640 6.345 1.00 0.26 C ATOM 1001 O GLU A 64 16.153 3.563 6.435 1.00 0.28 O ATOM 1002 CB GLU A 64 12.968 3.345 6.338 1.00 0.21 C ATOM 1003 CG GLU A 64 13.378 4.728 6.852 1.00 0.20 C ATOM 1004 CD GLU A 64 13.569 4.674 8.369 1.00 1.06 C ATOM 1005 OE1 GLU A 64 12.626 4.311 9.052 1.00 1.74 O ATOM 1006 OE2 GLU A 64 14.656 4.995 8.821 1.00 2.04 O ATOM 0 H GLU A 64 12.709 1.185 5.111 1.00 0.21 H new ATOM 0 HA GLU A 64 14.298 3.407 4.643 1.00 0.24 H new ATOM 0 HB2 GLU A 64 12.059 3.422 5.742 1.00 0.21 H new ATOM 0 HB3 GLU A 64 12.745 2.685 7.177 1.00 0.21 H new ATOM 0 HG2 GLU A 64 14.302 5.047 6.370 1.00 0.20 H new ATOM 0 HG3 GLU A 64 12.615 5.463 6.597 1.00 0.20 H new ATOM 1013 N LYS A 65 15.577 1.511 6.967 1.00 0.26 N ATOM 1014 CA LYS A 65 16.795 1.340 7.808 1.00 0.28 C ATOM 1015 C LYS A 65 17.944 0.827 6.938 1.00 0.31 C ATOM 1016 O LYS A 65 19.103 1.041 7.233 1.00 0.39 O ATOM 1017 CB LYS A 65 16.519 0.330 8.929 1.00 0.27 C ATOM 1018 CG LYS A 65 15.060 0.432 9.397 1.00 0.88 C ATOM 1019 CD LYS A 65 14.757 1.849 9.902 1.00 1.34 C ATOM 1020 CE LYS A 65 15.673 2.188 11.082 1.00 1.85 C ATOM 1021 NZ LYS A 65 16.907 2.856 10.579 1.00 3.63 N ATOM 0 H LYS A 65 14.958 0.701 6.929 1.00 0.26 H new ATOM 0 HA LYS A 65 17.064 2.300 8.248 1.00 0.28 H new ATOM 0 HB2 LYS A 65 16.724 -0.680 8.575 1.00 0.27 H new ATOM 0 HB3 LYS A 65 17.190 0.516 9.768 1.00 0.27 H new ATOM 0 HG2 LYS A 65 14.390 0.181 8.575 1.00 0.88 H new ATOM 0 HG3 LYS A 65 14.875 -0.291 10.191 1.00 0.88 H new ATOM 0 HD2 LYS A 65 14.903 2.570 9.098 1.00 1.34 H new ATOM 0 HD3 LYS A 65 13.713 1.920 10.208 1.00 1.34 H new ATOM 0 HE2 LYS A 65 15.153 2.841 11.783 1.00 1.85 H new ATOM 0 HE3 LYS A 65 15.934 1.280 11.626 1.00 1.85 H new ATOM 0 HZ1 LYS A 65 17.331 3.421 11.342 1.00 3.63 H new ATOM 0 HZ2 LYS A 65 17.587 2.136 10.262 1.00 3.63 H new ATOM 0 HZ3 LYS A 65 16.665 3.478 9.781 1.00 3.63 H new ATOM 1035 N ASP A 66 17.633 0.152 5.866 1.00 0.24 N ATOM 1036 CA ASP A 66 18.709 -0.374 4.978 1.00 0.27 C ATOM 1037 C ASP A 66 19.229 0.753 4.084 1.00 0.29 C ATOM 1038 O ASP A 66 18.467 1.506 3.511 1.00 0.38 O ATOM 1039 CB ASP A 66 18.146 -1.499 4.105 1.00 0.24 C ATOM 1040 CG ASP A 66 19.284 -2.423 3.668 1.00 0.40 C ATOM 1041 OD1 ASP A 66 20.362 -1.917 3.401 1.00 1.33 O ATOM 1042 OD2 ASP A 66 19.058 -3.620 3.606 1.00 1.02 O ATOM 0 H ASP A 66 16.681 -0.058 5.566 1.00 0.24 H new ATOM 0 HA ASP A 66 19.526 -0.761 5.587 1.00 0.27 H new ATOM 0 HB2 ASP A 66 17.397 -2.064 4.660 1.00 0.24 H new ATOM 0 HB3 ASP A 66 17.647 -1.081 3.231 1.00 0.24 H new ATOM 1047 N THR A 67 20.523 0.875 3.960 1.00 0.34 N ATOM 1048 CA THR A 67 21.090 1.954 3.102 1.00 0.38 C ATOM 1049 C THR A 67 20.953 1.560 1.630 1.00 0.35 C ATOM 1050 O THR A 67 21.817 1.834 0.821 1.00 0.31 O ATOM 1051 CB THR A 67 22.570 2.149 3.442 1.00 0.41 C ATOM 1052 OG1 THR A 67 23.327 1.083 2.883 1.00 0.54 O ATOM 1053 CG2 THR A 67 22.751 2.164 4.960 1.00 0.68 C ATOM 0 H THR A 67 21.211 0.275 4.415 1.00 0.34 H new ATOM 0 HA THR A 67 20.549 2.883 3.281 1.00 0.38 H new ATOM 0 HB THR A 67 22.915 3.097 3.029 1.00 0.41 H new ATOM 0 HG1 THR A 67 23.386 1.198 1.911 1.00 0.54 H new ATOM 0 HG21 THR A 67 23.805 2.303 5.199 1.00 0.68 H new ATOM 0 HG22 THR A 67 22.171 2.982 5.388 1.00 0.68 H new ATOM 0 HG23 THR A 67 22.406 1.218 5.377 1.00 0.68 H new ATOM 1061 N ARG A 68 19.872 0.918 1.277 1.00 0.39 N ATOM 1062 CA ARG A 68 19.675 0.504 -0.141 1.00 0.37 C ATOM 1063 C ARG A 68 18.830 1.550 -0.870 1.00 0.39 C ATOM 1064 O ARG A 68 19.208 2.050 -1.911 1.00 0.32 O ATOM 1065 CB ARG A 68 18.958 -0.847 -0.182 1.00 0.46 C ATOM 1066 CG ARG A 68 19.950 -1.964 0.147 1.00 0.58 C ATOM 1067 CD ARG A 68 20.400 -2.644 -1.147 1.00 0.85 C ATOM 1068 NE ARG A 68 20.673 -1.608 -2.183 1.00 2.05 N ATOM 1069 CZ ARG A 68 21.345 -1.921 -3.257 1.00 2.74 C ATOM 1070 NH1 ARG A 68 21.779 -3.140 -3.424 1.00 2.25 N ATOM 1071 NH2 ARG A 68 21.583 -1.014 -4.165 1.00 4.21 N ATOM 0 H ARG A 68 19.115 0.662 1.911 1.00 0.39 H new ATOM 0 HA ARG A 68 20.645 0.418 -0.630 1.00 0.37 H new ATOM 0 HB2 ARG A 68 18.135 -0.855 0.533 1.00 0.46 H new ATOM 0 HB3 ARG A 68 18.525 -1.010 -1.169 1.00 0.46 H new ATOM 0 HG2 ARG A 68 20.812 -1.556 0.675 1.00 0.58 H new ATOM 0 HG3 ARG A 68 19.486 -2.693 0.811 1.00 0.58 H new ATOM 0 HD2 ARG A 68 21.296 -3.238 -0.966 1.00 0.85 H new ATOM 0 HD3 ARG A 68 19.629 -3.330 -1.497 1.00 0.85 H new ATOM 0 HE ARG A 68 20.335 -0.655 -2.053 1.00 2.05 H new ATOM 0 HH11 ARG A 68 21.593 -3.849 -2.715 1.00 2.25 H new ATOM 0 HH12 ARG A 68 22.304 -3.384 -4.264 1.00 2.25 H new ATOM 0 HH21 ARG A 68 21.244 -0.061 -4.035 1.00 4.21 H new ATOM 0 HH22 ARG A 68 22.108 -1.258 -5.005 1.00 4.21 H new ATOM 1085 N CYS A 69 17.687 1.883 -0.334 1.00 0.50 N ATOM 1086 CA CYS A 69 16.818 2.894 -1.000 1.00 0.55 C ATOM 1087 C CYS A 69 17.113 4.284 -0.432 1.00 0.63 C ATOM 1088 O CYS A 69 16.328 5.201 -0.572 1.00 0.86 O ATOM 1089 CB CYS A 69 15.348 2.544 -0.755 1.00 0.64 C ATOM 1090 SG CYS A 69 14.908 1.086 -1.734 1.00 0.38 S ATOM 0 H CYS A 69 17.318 1.499 0.536 1.00 0.50 H new ATOM 0 HA CYS A 69 17.020 2.893 -2.071 1.00 0.55 H new ATOM 0 HB2 CYS A 69 15.181 2.349 0.304 1.00 0.64 H new ATOM 0 HB3 CYS A 69 14.712 3.385 -1.029 1.00 0.64 H new ATOM 1095 N LEU A 70 18.240 4.450 0.206 1.00 0.47 N ATOM 1096 CA LEU A 70 18.581 5.784 0.777 1.00 0.56 C ATOM 1097 C LEU A 70 19.393 6.581 -0.246 1.00 0.59 C ATOM 1098 O LEU A 70 19.248 7.781 -0.368 1.00 0.85 O ATOM 1099 CB LEU A 70 19.410 5.596 2.052 1.00 0.48 C ATOM 1100 CG LEU A 70 18.478 5.389 3.253 1.00 0.57 C ATOM 1101 CD1 LEU A 70 19.302 4.964 4.472 1.00 0.54 C ATOM 1102 CD2 LEU A 70 17.732 6.691 3.581 1.00 0.70 C ATOM 0 H LEU A 70 18.938 3.721 0.356 1.00 0.47 H new ATOM 0 HA LEU A 70 17.665 6.324 1.016 1.00 0.56 H new ATOM 0 HB2 LEU A 70 20.073 4.738 1.942 1.00 0.48 H new ATOM 0 HB3 LEU A 70 20.043 6.468 2.217 1.00 0.48 H new ATOM 0 HG LEU A 70 17.753 4.614 3.004 1.00 0.57 H new ATOM 0 HD11 LEU A 70 18.640 4.817 5.325 1.00 0.54 H new ATOM 0 HD12 LEU A 70 19.823 4.032 4.252 1.00 0.54 H new ATOM 0 HD13 LEU A 70 20.030 5.740 4.707 1.00 0.54 H new ATOM 0 HD21 LEU A 70 17.075 6.528 4.435 1.00 0.70 H new ATOM 0 HD22 LEU A 70 18.453 7.473 3.821 1.00 0.70 H new ATOM 0 HD23 LEU A 70 17.138 6.997 2.720 1.00 0.70 H new ATOM 1114 N GLY A 71 20.245 5.923 -0.984 1.00 0.47 N ATOM 1115 CA GLY A 71 21.064 6.643 -2.000 1.00 0.64 C ATOM 1116 C GLY A 71 22.172 7.430 -1.300 1.00 0.53 C ATOM 1117 O GLY A 71 22.554 7.129 -0.187 1.00 0.44 O ATOM 0 H GLY A 71 20.409 4.918 -0.927 1.00 0.47 H new ATOM 0 HA2 GLY A 71 21.498 5.932 -2.703 1.00 0.64 H new ATOM 0 HA3 GLY A 71 20.433 7.319 -2.578 1.00 0.64 H new ATOM 1121 N ALA A 72 22.693 8.439 -1.944 1.00 0.56 N ATOM 1122 CA ALA A 72 23.777 9.245 -1.315 1.00 0.46 C ATOM 1123 C ALA A 72 23.664 10.700 -1.777 1.00 0.36 C ATOM 1124 O ALA A 72 23.936 11.620 -1.032 1.00 0.44 O ATOM 1125 CB ALA A 72 25.138 8.683 -1.732 1.00 0.48 C ATOM 0 H ALA A 72 22.415 8.740 -2.878 1.00 0.56 H new ATOM 0 HA ALA A 72 23.681 9.199 -0.230 1.00 0.46 H new ATOM 0 HB1 ALA A 72 25.931 9.272 -1.272 1.00 0.48 H new ATOM 0 HB2 ALA A 72 25.219 7.647 -1.405 1.00 0.48 H new ATOM 0 HB3 ALA A 72 25.234 8.729 -2.817 1.00 0.48 H new ATOM 1131 N THR A 73 23.263 10.914 -3.001 1.00 0.23 N ATOM 1132 CA THR A 73 23.132 12.308 -3.509 1.00 0.23 C ATOM 1133 C THR A 73 22.231 13.111 -2.568 1.00 0.30 C ATOM 1134 O THR A 73 21.612 12.569 -1.673 1.00 0.35 O ATOM 1135 CB THR A 73 22.517 12.286 -4.910 1.00 0.30 C ATOM 1136 OG1 THR A 73 21.239 11.665 -4.853 1.00 1.03 O ATOM 1137 CG2 THR A 73 23.427 11.502 -5.857 1.00 0.71 C ATOM 0 H THR A 73 23.021 10.183 -3.670 1.00 0.23 H new ATOM 0 HA THR A 73 24.117 12.772 -3.553 1.00 0.23 H new ATOM 0 HB THR A 73 22.410 13.307 -5.277 1.00 0.30 H new ATOM 0 HG1 THR A 73 20.911 11.507 -5.763 1.00 1.03 H new ATOM 0 HG21 THR A 73 22.988 11.487 -6.854 1.00 0.71 H new ATOM 0 HG22 THR A 73 24.406 11.979 -5.899 1.00 0.71 H new ATOM 0 HG23 THR A 73 23.537 10.480 -5.494 1.00 0.71 H new ATOM 1145 N ALA A 74 22.150 14.398 -2.763 1.00 0.30 N ATOM 1146 CA ALA A 74 21.289 15.234 -1.880 1.00 0.37 C ATOM 1147 C ALA A 74 19.880 15.314 -2.471 1.00 0.40 C ATOM 1148 O ALA A 74 18.949 15.749 -1.822 1.00 0.74 O ATOM 1149 CB ALA A 74 21.878 16.641 -1.774 1.00 0.38 C ATOM 0 H ALA A 74 22.643 14.907 -3.496 1.00 0.30 H new ATOM 0 HA ALA A 74 21.243 14.785 -0.888 1.00 0.37 H new ATOM 0 HB1 ALA A 74 21.247 17.252 -1.128 1.00 0.38 H new ATOM 0 HB2 ALA A 74 22.882 16.584 -1.353 1.00 0.38 H new ATOM 0 HB3 ALA A 74 21.925 17.091 -2.766 1.00 0.38 H new ATOM 1155 N GLN A 75 19.716 14.898 -3.696 1.00 0.08 N ATOM 1156 CA GLN A 75 18.366 14.952 -4.327 1.00 0.09 C ATOM 1157 C GLN A 75 17.620 13.646 -4.049 1.00 0.08 C ATOM 1158 O GLN A 75 16.418 13.633 -3.872 1.00 0.11 O ATOM 1159 CB GLN A 75 18.516 15.144 -5.838 1.00 0.08 C ATOM 1160 CG GLN A 75 19.643 14.248 -6.357 1.00 0.49 C ATOM 1161 CD GLN A 75 20.905 15.088 -6.570 1.00 1.57 C ATOM 1162 OE1 GLN A 75 21.622 14.894 -7.531 1.00 1.48 O ATOM 1163 NE2 GLN A 75 21.208 16.018 -5.707 1.00 3.02 N ATOM 0 H GLN A 75 20.457 14.523 -4.288 1.00 0.08 H new ATOM 0 HA GLN A 75 17.803 15.787 -3.910 1.00 0.09 H new ATOM 0 HB2 GLN A 75 17.581 14.898 -6.341 1.00 0.08 H new ATOM 0 HB3 GLN A 75 18.734 16.188 -6.063 1.00 0.08 H new ATOM 0 HG2 GLN A 75 19.842 13.447 -5.645 1.00 0.49 H new ATOM 0 HG3 GLN A 75 19.345 13.776 -7.293 1.00 0.49 H new ATOM 0 HE21 GLN A 75 20.606 16.181 -4.900 1.00 3.02 H new ATOM 0 HE22 GLN A 75 22.047 16.583 -5.839 1.00 3.02 H new ATOM 1172 N GLN A 76 18.322 12.547 -4.008 1.00 0.09 N ATOM 1173 CA GLN A 76 17.652 11.243 -3.741 1.00 0.10 C ATOM 1174 C GLN A 76 17.403 11.097 -2.238 1.00 0.12 C ATOM 1175 O GLN A 76 16.476 10.434 -1.815 1.00 0.16 O ATOM 1176 CB GLN A 76 18.546 10.101 -4.223 1.00 0.08 C ATOM 1177 CG GLN A 76 17.850 8.763 -3.968 1.00 0.63 C ATOM 1178 CD GLN A 76 17.880 7.919 -5.244 1.00 0.25 C ATOM 1179 OE1 GLN A 76 16.889 7.318 -5.612 1.00 1.47 O ATOM 1180 NE2 GLN A 76 18.982 7.847 -5.939 1.00 1.20 N ATOM 0 H GLN A 76 19.331 12.496 -4.148 1.00 0.09 H new ATOM 0 HA GLN A 76 16.701 11.208 -4.273 1.00 0.10 H new ATOM 0 HB2 GLN A 76 18.758 10.215 -5.286 1.00 0.08 H new ATOM 0 HB3 GLN A 76 19.503 10.130 -3.702 1.00 0.08 H new ATOM 0 HG2 GLN A 76 18.347 8.232 -3.156 1.00 0.63 H new ATOM 0 HG3 GLN A 76 16.820 8.931 -3.655 1.00 0.63 H new ATOM 0 HE21 GLN A 76 19.813 8.351 -5.631 1.00 1.20 H new ATOM 0 HE22 GLN A 76 19.012 7.287 -6.791 1.00 1.20 H new ATOM 1189 N PHE A 77 18.222 11.710 -1.429 1.00 0.13 N ATOM 1190 CA PHE A 77 18.031 11.605 0.045 1.00 0.17 C ATOM 1191 C PHE A 77 16.683 12.217 0.429 1.00 0.24 C ATOM 1192 O PHE A 77 15.911 11.631 1.161 1.00 0.29 O ATOM 1193 CB PHE A 77 19.156 12.357 0.760 1.00 0.20 C ATOM 1194 CG PHE A 77 19.058 12.113 2.247 1.00 0.35 C ATOM 1195 CD1 PHE A 77 19.430 10.872 2.779 1.00 0.37 C ATOM 1196 CD2 PHE A 77 18.596 13.128 3.093 1.00 0.53 C ATOM 1197 CE1 PHE A 77 19.339 10.646 4.158 1.00 0.53 C ATOM 1198 CE2 PHE A 77 18.505 12.902 4.472 1.00 0.67 C ATOM 1199 CZ PHE A 77 18.877 11.662 5.004 1.00 0.66 C ATOM 0 H PHE A 77 19.015 12.279 -1.725 1.00 0.13 H new ATOM 0 HA PHE A 77 18.051 10.556 0.341 1.00 0.17 H new ATOM 0 HB2 PHE A 77 20.125 12.023 0.389 1.00 0.20 H new ATOM 0 HB3 PHE A 77 19.085 13.424 0.550 1.00 0.20 H new ATOM 0 HD1 PHE A 77 19.787 10.089 2.126 1.00 0.37 H new ATOM 0 HD2 PHE A 77 18.310 14.085 2.682 1.00 0.53 H new ATOM 0 HE1 PHE A 77 19.625 9.689 4.569 1.00 0.53 H new ATOM 0 HE2 PHE A 77 18.148 13.685 5.125 1.00 0.67 H new ATOM 0 HZ PHE A 77 18.808 11.489 6.068 1.00 0.66 H new ATOM 1209 N HIS A 78 16.394 13.392 -0.059 1.00 0.24 N ATOM 1210 CA HIS A 78 15.096 14.040 0.280 1.00 0.31 C ATOM 1211 C HIS A 78 13.960 13.314 -0.446 1.00 0.32 C ATOM 1212 O HIS A 78 13.011 12.861 0.162 1.00 0.37 O ATOM 1213 CB HIS A 78 15.126 15.505 -0.158 1.00 0.32 C ATOM 1214 CG HIS A 78 13.791 16.140 0.118 1.00 0.19 C ATOM 1215 ND1 HIS A 78 13.259 17.127 -0.696 1.00 1.03 N ATOM 1216 CD2 HIS A 78 12.867 15.935 1.113 1.00 0.34 C ATOM 1217 CE1 HIS A 78 12.066 17.479 -0.181 1.00 1.16 C ATOM 1218 NE2 HIS A 78 11.779 16.783 0.922 1.00 0.43 N ATOM 0 H HIS A 78 17.000 13.931 -0.677 1.00 0.24 H new ATOM 0 HA HIS A 78 14.934 13.987 1.357 1.00 0.31 H new ATOM 0 HB2 HIS A 78 15.912 16.039 0.376 1.00 0.32 H new ATOM 0 HB3 HIS A 78 15.360 15.573 -1.220 1.00 0.32 H new ATOM 0 HD2 HIS A 78 12.969 15.225 1.920 1.00 0.34 H new ATOM 0 HE1 HIS A 78 11.420 18.232 -0.608 1.00 1.16 H new ATOM 0 HE2 HIS A 78 10.942 16.857 1.501 1.00 0.43 H new ATOM 1226 N ARG A 79 14.049 13.202 -1.744 1.00 0.31 N ATOM 1227 CA ARG A 79 12.975 12.506 -2.506 1.00 0.35 C ATOM 1228 C ARG A 79 12.660 11.168 -1.834 1.00 0.36 C ATOM 1229 O ARG A 79 11.551 10.677 -1.897 1.00 0.45 O ATOM 1230 CB ARG A 79 13.447 12.258 -3.940 1.00 0.34 C ATOM 1231 CG ARG A 79 12.248 12.321 -4.889 1.00 0.38 C ATOM 1232 CD ARG A 79 12.672 11.817 -6.273 1.00 0.33 C ATOM 1233 NE ARG A 79 12.214 12.765 -7.340 1.00 0.66 N ATOM 1234 CZ ARG A 79 10.990 13.230 -7.358 1.00 2.42 C ATOM 1235 NH1 ARG A 79 10.114 12.815 -6.485 1.00 4.06 N ATOM 1236 NH2 ARG A 79 10.639 14.094 -8.269 1.00 2.66 N ATOM 0 H ARG A 79 14.819 13.562 -2.308 1.00 0.31 H new ATOM 0 HA ARG A 79 12.078 13.126 -2.521 1.00 0.35 H new ATOM 0 HB2 ARG A 79 14.189 13.004 -4.224 1.00 0.34 H new ATOM 0 HB3 ARG A 79 13.931 11.284 -4.012 1.00 0.34 H new ATOM 0 HG2 ARG A 79 11.431 11.712 -4.502 1.00 0.38 H new ATOM 0 HG3 ARG A 79 11.878 13.344 -4.959 1.00 0.38 H new ATOM 0 HD2 ARG A 79 13.756 11.713 -6.312 1.00 0.33 H new ATOM 0 HD3 ARG A 79 12.250 10.828 -6.451 1.00 0.33 H new ATOM 0 HE ARG A 79 12.869 13.054 -8.067 1.00 0.66 H new ATOM 0 HH11 ARG A 79 10.381 12.125 -5.783 1.00 4.06 H new ATOM 0 HH12 ARG A 79 9.162 13.181 -6.504 1.00 4.06 H new ATOM 0 HH21 ARG A 79 11.317 14.406 -8.965 1.00 2.66 H new ATOM 0 HH22 ARG A 79 9.686 14.458 -8.286 1.00 2.66 H new ATOM 1250 N HIS A 80 13.628 10.575 -1.191 1.00 0.26 N ATOM 1251 CA HIS A 80 13.383 9.270 -0.516 1.00 0.27 C ATOM 1252 C HIS A 80 12.526 9.493 0.731 1.00 0.26 C ATOM 1253 O HIS A 80 11.510 8.854 0.921 1.00 0.26 O ATOM 1254 CB HIS A 80 14.720 8.647 -0.110 1.00 0.28 C ATOM 1255 CG HIS A 80 14.471 7.437 0.748 1.00 0.20 C ATOM 1256 ND1 HIS A 80 14.135 6.205 0.208 1.00 0.18 N ATOM 1257 CD2 HIS A 80 14.504 7.254 2.108 1.00 0.17 C ATOM 1258 CE1 HIS A 80 13.981 5.343 1.230 1.00 0.14 C ATOM 1259 NE2 HIS A 80 14.195 5.931 2.410 1.00 0.12 N ATOM 0 H HIS A 80 14.577 10.938 -1.104 1.00 0.26 H new ATOM 0 HA HIS A 80 12.862 8.600 -1.200 1.00 0.27 H new ATOM 0 HB2 HIS A 80 15.287 8.366 -0.998 1.00 0.28 H new ATOM 0 HB3 HIS A 80 15.322 9.375 0.435 1.00 0.28 H new ATOM 0 HD2 HIS A 80 14.735 8.020 2.833 1.00 0.17 H new ATOM 0 HE1 HIS A 80 13.717 4.303 1.111 1.00 0.14 H new ATOM 0 HE2 HIS A 80 14.143 5.502 3.334 1.00 0.12 H new ATOM 1267 N LYS A 81 12.925 10.397 1.583 1.00 0.27 N ATOM 1268 CA LYS A 81 12.130 10.661 2.816 1.00 0.26 C ATOM 1269 C LYS A 81 10.660 10.862 2.441 1.00 0.23 C ATOM 1270 O LYS A 81 9.771 10.318 3.065 1.00 0.25 O ATOM 1271 CB LYS A 81 12.658 11.921 3.504 1.00 0.27 C ATOM 1272 CG LYS A 81 14.053 11.648 4.070 1.00 0.31 C ATOM 1273 CD LYS A 81 13.934 11.205 5.530 1.00 0.59 C ATOM 1274 CE LYS A 81 15.305 10.758 6.042 1.00 0.83 C ATOM 1275 NZ LYS A 81 16.229 11.926 6.071 1.00 1.53 N ATOM 0 H LYS A 81 13.766 10.964 1.479 1.00 0.27 H new ATOM 0 HA LYS A 81 12.219 9.813 3.495 1.00 0.26 H new ATOM 0 HB2 LYS A 81 12.698 12.747 2.793 1.00 0.27 H new ATOM 0 HB3 LYS A 81 11.982 12.222 4.304 1.00 0.27 H new ATOM 0 HG2 LYS A 81 14.550 10.875 3.484 1.00 0.31 H new ATOM 0 HG3 LYS A 81 14.667 12.546 4.000 1.00 0.31 H new ATOM 0 HD2 LYS A 81 13.556 12.025 6.140 1.00 0.59 H new ATOM 0 HD3 LYS A 81 13.218 10.388 5.616 1.00 0.59 H new ATOM 0 HE2 LYS A 81 15.211 10.330 7.040 1.00 0.83 H new ATOM 0 HE3 LYS A 81 15.709 9.977 5.398 1.00 0.83 H new ATOM 0 HZ1 LYS A 81 16.888 11.867 5.269 1.00 1.53 H new ATOM 0 HZ2 LYS A 81 15.679 12.806 6.003 1.00 1.53 H new ATOM 0 HZ3 LYS A 81 16.766 11.922 6.961 1.00 1.53 H new ATOM 1289 N GLN A 82 10.399 11.640 1.427 1.00 0.18 N ATOM 1290 CA GLN A 82 8.987 11.873 1.013 1.00 0.16 C ATOM 1291 C GLN A 82 8.302 10.529 0.756 1.00 0.18 C ATOM 1292 O GLN A 82 7.231 10.260 1.262 1.00 0.33 O ATOM 1293 CB GLN A 82 8.963 12.711 -0.268 1.00 0.14 C ATOM 1294 CG GLN A 82 8.294 14.057 0.015 1.00 0.87 C ATOM 1295 CD GLN A 82 8.393 14.947 -1.226 1.00 0.75 C ATOM 1296 OE1 GLN A 82 7.393 15.418 -1.730 1.00 0.64 O ATOM 1297 NE2 GLN A 82 9.565 15.199 -1.742 1.00 1.85 N ATOM 0 H GLN A 82 11.102 12.124 0.868 1.00 0.18 H new ATOM 0 HA GLN A 82 8.459 12.404 1.805 1.00 0.16 H new ATOM 0 HB2 GLN A 82 9.978 12.867 -0.632 1.00 0.14 H new ATOM 0 HB3 GLN A 82 8.421 12.181 -1.052 1.00 0.14 H new ATOM 0 HG2 GLN A 82 7.249 13.906 0.285 1.00 0.87 H new ATOM 0 HG3 GLN A 82 8.775 14.543 0.864 1.00 0.87 H new ATOM 0 HE21 GLN A 82 10.404 14.803 -1.319 1.00 1.85 H new ATOM 0 HE22 GLN A 82 9.642 15.792 -2.569 1.00 1.85 H new ATOM 1306 N LEU A 83 8.914 9.682 -0.025 1.00 0.10 N ATOM 1307 CA LEU A 83 8.299 8.355 -0.313 1.00 0.11 C ATOM 1308 C LEU A 83 7.873 7.699 1.002 1.00 0.12 C ATOM 1309 O LEU A 83 6.714 7.399 1.211 1.00 0.12 O ATOM 1310 CB LEU A 83 9.321 7.464 -1.023 1.00 0.16 C ATOM 1311 CG LEU A 83 8.591 6.408 -1.857 1.00 0.18 C ATOM 1312 CD1 LEU A 83 9.615 5.538 -2.587 1.00 0.22 C ATOM 1313 CD2 LEU A 83 7.739 5.528 -0.940 1.00 0.20 C ATOM 0 H LEU A 83 9.813 9.851 -0.476 1.00 0.10 H new ATOM 0 HA LEU A 83 7.427 8.486 -0.953 1.00 0.11 H new ATOM 0 HB2 LEU A 83 9.962 8.069 -1.664 1.00 0.16 H new ATOM 0 HB3 LEU A 83 9.968 6.980 -0.291 1.00 0.16 H new ATOM 0 HG LEU A 83 7.948 6.904 -2.584 1.00 0.18 H new ATOM 0 HD11 LEU A 83 9.096 4.786 -3.181 1.00 0.22 H new ATOM 0 HD12 LEU A 83 10.222 6.163 -3.242 1.00 0.22 H new ATOM 0 HD13 LEU A 83 10.258 5.044 -1.859 1.00 0.22 H new ATOM 0 HD21 LEU A 83 7.220 4.777 -1.536 1.00 0.20 H new ATOM 0 HD22 LEU A 83 8.381 5.033 -0.211 1.00 0.20 H new ATOM 0 HD23 LEU A 83 7.008 6.146 -0.419 1.00 0.20 H new ATOM 1325 N ILE A 84 8.802 7.473 1.891 1.00 0.13 N ATOM 1326 CA ILE A 84 8.450 6.836 3.192 1.00 0.14 C ATOM 1327 C ILE A 84 7.259 7.569 3.812 1.00 0.16 C ATOM 1328 O ILE A 84 6.413 6.972 4.449 1.00 0.25 O ATOM 1329 CB ILE A 84 9.647 6.917 4.142 1.00 0.14 C ATOM 1330 CG1 ILE A 84 10.927 6.548 3.387 1.00 0.13 C ATOM 1331 CG2 ILE A 84 9.444 5.942 5.302 1.00 0.12 C ATOM 1332 CD1 ILE A 84 10.705 5.255 2.600 1.00 0.13 C ATOM 0 H ILE A 84 9.789 7.702 1.773 1.00 0.13 H new ATOM 0 HA ILE A 84 8.189 5.791 3.025 1.00 0.14 H new ATOM 0 HB ILE A 84 9.733 7.932 4.529 1.00 0.14 H new ATOM 0 HG12 ILE A 84 11.207 7.355 2.709 1.00 0.13 H new ATOM 0 HG13 ILE A 84 11.751 6.421 4.089 1.00 0.13 H new ATOM 0 HG21 ILE A 84 10.296 5.999 5.979 1.00 0.12 H new ATOM 0 HG22 ILE A 84 8.534 6.203 5.842 1.00 0.12 H new ATOM 0 HG23 ILE A 84 9.357 4.927 4.913 1.00 0.12 H new ATOM 0 HD11 ILE A 84 11.617 4.994 2.063 1.00 0.13 H new ATOM 0 HD12 ILE A 84 10.446 4.450 3.288 1.00 0.13 H new ATOM 0 HD13 ILE A 84 9.893 5.398 1.887 1.00 0.13 H new ATOM 1344 N ARG A 85 7.184 8.859 3.631 1.00 0.11 N ATOM 1345 CA ARG A 85 6.047 9.628 4.211 1.00 0.13 C ATOM 1346 C ARG A 85 4.749 9.231 3.505 1.00 0.19 C ATOM 1347 O ARG A 85 3.748 8.958 4.136 1.00 0.20 O ATOM 1348 CB ARG A 85 6.294 11.127 4.018 1.00 0.17 C ATOM 1349 CG ARG A 85 5.364 11.920 4.938 1.00 0.89 C ATOM 1350 CD ARG A 85 6.095 12.255 6.239 1.00 0.90 C ATOM 1351 NE ARG A 85 6.995 13.421 6.015 1.00 0.58 N ATOM 1352 CZ ARG A 85 7.491 14.068 7.035 1.00 0.89 C ATOM 1353 NH1 ARG A 85 7.199 13.691 8.251 1.00 1.81 N ATOM 1354 NH2 ARG A 85 8.278 15.090 6.840 1.00 1.74 N ATOM 0 H ARG A 85 7.861 9.414 3.107 1.00 0.11 H new ATOM 0 HA ARG A 85 5.964 9.407 5.275 1.00 0.13 H new ATOM 0 HB2 ARG A 85 7.334 11.367 4.240 1.00 0.17 H new ATOM 0 HB3 ARG A 85 6.118 11.405 2.979 1.00 0.17 H new ATOM 0 HG2 ARG A 85 5.041 12.836 4.444 1.00 0.89 H new ATOM 0 HG3 ARG A 85 4.466 11.340 5.152 1.00 0.89 H new ATOM 0 HD2 ARG A 85 5.375 12.483 7.025 1.00 0.90 H new ATOM 0 HD3 ARG A 85 6.673 11.395 6.576 1.00 0.90 H new ATOM 0 HE ARG A 85 7.224 13.714 5.065 1.00 0.58 H new ATOM 0 HH11 ARG A 85 6.584 12.892 8.403 1.00 1.81 H new ATOM 0 HH12 ARG A 85 7.586 14.196 9.048 1.00 1.81 H new ATOM 0 HH21 ARG A 85 8.506 15.384 5.890 1.00 1.74 H new ATOM 0 HH22 ARG A 85 8.665 15.595 7.637 1.00 1.74 H new ATOM 1368 N PHE A 86 4.759 9.195 2.200 1.00 0.24 N ATOM 1369 CA PHE A 86 3.525 8.815 1.456 1.00 0.31 C ATOM 1370 C PHE A 86 3.039 7.448 1.939 1.00 0.31 C ATOM 1371 O PHE A 86 1.894 7.281 2.311 1.00 0.36 O ATOM 1372 CB PHE A 86 3.833 8.746 -0.040 1.00 0.33 C ATOM 1373 CG PHE A 86 3.581 10.096 -0.670 1.00 0.36 C ATOM 1374 CD1 PHE A 86 2.314 10.406 -1.179 1.00 0.48 C ATOM 1375 CD2 PHE A 86 4.614 11.038 -0.744 1.00 0.44 C ATOM 1376 CE1 PHE A 86 2.080 11.656 -1.761 1.00 0.51 C ATOM 1377 CE2 PHE A 86 4.379 12.290 -1.326 1.00 0.47 C ATOM 1378 CZ PHE A 86 3.112 12.598 -1.835 1.00 0.43 C ATOM 0 H PHE A 86 5.568 9.412 1.618 1.00 0.24 H new ATOM 0 HA PHE A 86 2.750 9.560 1.634 1.00 0.31 H new ATOM 0 HB2 PHE A 86 4.870 8.449 -0.195 1.00 0.33 H new ATOM 0 HB3 PHE A 86 3.210 7.989 -0.516 1.00 0.33 H new ATOM 0 HD1 PHE A 86 1.517 9.679 -1.122 1.00 0.48 H new ATOM 0 HD2 PHE A 86 5.592 10.799 -0.352 1.00 0.44 H new ATOM 0 HE1 PHE A 86 1.102 11.894 -2.153 1.00 0.51 H new ATOM 0 HE2 PHE A 86 5.175 13.018 -1.382 1.00 0.47 H new ATOM 0 HZ PHE A 86 2.931 13.563 -2.285 1.00 0.43 H new ATOM 1388 N LEU A 87 3.900 6.467 1.938 1.00 0.28 N ATOM 1389 CA LEU A 87 3.484 5.111 2.397 1.00 0.31 C ATOM 1390 C LEU A 87 3.018 5.186 3.852 1.00 0.30 C ATOM 1391 O LEU A 87 1.938 4.744 4.190 1.00 0.41 O ATOM 1392 CB LEU A 87 4.672 4.152 2.290 1.00 0.30 C ATOM 1393 CG LEU A 87 4.609 3.400 0.959 1.00 0.74 C ATOM 1394 CD1 LEU A 87 5.993 2.845 0.620 1.00 0.61 C ATOM 1395 CD2 LEU A 87 3.613 2.241 1.069 1.00 1.25 C ATOM 0 H LEU A 87 4.872 6.546 1.640 1.00 0.28 H new ATOM 0 HA LEU A 87 2.667 4.750 1.773 1.00 0.31 H new ATOM 0 HB2 LEU A 87 5.607 4.707 2.361 1.00 0.30 H new ATOM 0 HB3 LEU A 87 4.657 3.445 3.119 1.00 0.30 H new ATOM 0 HG LEU A 87 4.286 4.084 0.174 1.00 0.74 H new ATOM 0 HD11 LEU A 87 5.948 2.309 -0.328 1.00 0.61 H new ATOM 0 HD12 LEU A 87 6.705 3.667 0.539 1.00 0.61 H new ATOM 0 HD13 LEU A 87 6.314 2.163 1.407 1.00 0.61 H new ATOM 0 HD21 LEU A 87 3.570 1.707 0.120 1.00 1.25 H new ATOM 0 HD22 LEU A 87 3.935 1.558 1.855 1.00 1.25 H new ATOM 0 HD23 LEU A 87 2.625 2.632 1.310 1.00 1.25 H new ATOM 1407 N LYS A 88 3.824 5.741 4.716 1.00 0.20 N ATOM 1408 CA LYS A 88 3.425 5.842 6.148 1.00 0.19 C ATOM 1409 C LYS A 88 2.037 6.480 6.247 1.00 0.17 C ATOM 1410 O LYS A 88 1.342 6.326 7.231 1.00 0.15 O ATOM 1411 CB LYS A 88 4.439 6.707 6.899 1.00 0.19 C ATOM 1412 CG LYS A 88 5.584 5.829 7.407 1.00 0.54 C ATOM 1413 CD LYS A 88 6.609 6.697 8.137 1.00 0.79 C ATOM 1414 CE LYS A 88 6.562 6.392 9.636 1.00 0.33 C ATOM 1415 NZ LYS A 88 7.373 7.400 10.374 1.00 1.39 N ATOM 0 H LYS A 88 4.741 6.128 4.492 1.00 0.20 H new ATOM 0 HA LYS A 88 3.399 4.846 6.590 1.00 0.19 H new ATOM 0 HB2 LYS A 88 4.827 7.484 6.241 1.00 0.19 H new ATOM 0 HB3 LYS A 88 3.954 7.210 7.736 1.00 0.19 H new ATOM 0 HG2 LYS A 88 5.198 5.062 8.078 1.00 0.54 H new ATOM 0 HG3 LYS A 88 6.058 5.313 6.572 1.00 0.54 H new ATOM 0 HD2 LYS A 88 7.608 6.504 7.747 1.00 0.79 H new ATOM 0 HD3 LYS A 88 6.397 7.752 7.963 1.00 0.79 H new ATOM 0 HE2 LYS A 88 5.531 6.410 9.989 1.00 0.33 H new ATOM 0 HE3 LYS A 88 6.947 5.390 9.826 1.00 0.33 H new ATOM 0 HZ1 LYS A 88 7.341 7.193 11.393 1.00 1.39 H new ATOM 0 HZ2 LYS A 88 8.358 7.362 10.044 1.00 1.39 H new ATOM 0 HZ3 LYS A 88 6.987 8.350 10.202 1.00 1.39 H new ATOM 1429 N ARG A 89 1.628 7.195 5.235 1.00 0.19 N ATOM 1430 CA ARG A 89 0.286 7.841 5.273 1.00 0.18 C ATOM 1431 C ARG A 89 -0.787 6.810 4.919 1.00 0.16 C ATOM 1432 O ARG A 89 -1.542 6.371 5.764 1.00 0.16 O ATOM 1433 CB ARG A 89 0.245 8.988 4.261 1.00 0.18 C ATOM 1434 CG ARG A 89 -0.950 9.896 4.566 1.00 0.24 C ATOM 1435 CD ARG A 89 -1.508 10.461 3.258 1.00 1.00 C ATOM 1436 NE ARG A 89 -2.613 11.413 3.562 1.00 1.68 N ATOM 1437 CZ ARG A 89 -3.037 12.234 2.640 1.00 2.53 C ATOM 1438 NH1 ARG A 89 -2.493 12.222 1.455 1.00 2.83 N ATOM 1439 NH2 ARG A 89 -4.006 13.068 2.906 1.00 3.24 N ATOM 0 H ARG A 89 2.165 7.360 4.384 1.00 0.19 H new ATOM 0 HA ARG A 89 0.098 8.231 6.273 1.00 0.18 H new ATOM 0 HB2 ARG A 89 1.171 9.561 4.307 1.00 0.18 H new ATOM 0 HB3 ARG A 89 0.165 8.591 3.249 1.00 0.18 H new ATOM 0 HG2 ARG A 89 -1.723 9.334 5.091 1.00 0.24 H new ATOM 0 HG3 ARG A 89 -0.644 10.709 5.225 1.00 0.24 H new ATOM 0 HD2 ARG A 89 -0.719 10.968 2.702 1.00 1.00 H new ATOM 0 HD3 ARG A 89 -1.874 9.652 2.626 1.00 1.00 H new ATOM 0 HE ARG A 89 -3.038 11.423 4.489 1.00 1.68 H new ATOM 0 HH11 ARG A 89 -1.736 11.571 1.248 1.00 2.83 H new ATOM 0 HH12 ARG A 89 -2.825 12.864 0.735 1.00 2.83 H new ATOM 0 HH21 ARG A 89 -4.431 13.077 3.833 1.00 3.24 H new ATOM 0 HH22 ARG A 89 -4.338 13.710 2.186 1.00 3.24 H new ATOM 1453 N LEU A 90 -0.859 6.419 3.676 1.00 0.14 N ATOM 1454 CA LEU A 90 -1.884 5.416 3.270 1.00 0.12 C ATOM 1455 C LEU A 90 -1.706 4.142 4.097 1.00 0.13 C ATOM 1456 O LEU A 90 -2.604 3.330 4.206 1.00 0.12 O ATOM 1457 CB LEU A 90 -1.716 5.087 1.785 1.00 0.15 C ATOM 1458 CG LEU A 90 -0.317 4.519 1.543 1.00 0.19 C ATOM 1459 CD1 LEU A 90 -0.407 3.006 1.338 1.00 0.20 C ATOM 1460 CD2 LEU A 90 0.286 5.166 0.295 1.00 0.24 C ATOM 0 H LEU A 90 -0.253 6.750 2.925 1.00 0.14 H new ATOM 0 HA LEU A 90 -2.880 5.825 3.441 1.00 0.12 H new ATOM 0 HB2 LEU A 90 -2.472 4.366 1.474 1.00 0.15 H new ATOM 0 HB3 LEU A 90 -1.865 5.984 1.184 1.00 0.15 H new ATOM 0 HG LEU A 90 0.314 4.731 2.406 1.00 0.19 H new ATOM 0 HD11 LEU A 90 0.591 2.602 1.166 1.00 0.20 H new ATOM 0 HD12 LEU A 90 -0.837 2.543 2.226 1.00 0.20 H new ATOM 0 HD13 LEU A 90 -1.039 2.793 0.476 1.00 0.20 H new ATOM 0 HD21 LEU A 90 1.283 4.762 0.121 1.00 0.24 H new ATOM 0 HD22 LEU A 90 -0.347 4.953 -0.567 1.00 0.24 H new ATOM 0 HD23 LEU A 90 0.352 6.244 0.440 1.00 0.24 H new ATOM 1472 N ASP A 91 -0.554 3.958 4.682 1.00 0.19 N ATOM 1473 CA ASP A 91 -0.319 2.737 5.502 1.00 0.22 C ATOM 1474 C ASP A 91 -1.280 2.729 6.692 1.00 0.21 C ATOM 1475 O ASP A 91 -1.833 1.708 7.049 1.00 0.21 O ATOM 1476 CB ASP A 91 1.123 2.733 6.011 1.00 0.27 C ATOM 1477 CG ASP A 91 1.285 1.652 7.082 1.00 0.30 C ATOM 1478 OD1 ASP A 91 1.298 0.487 6.722 1.00 0.99 O ATOM 1479 OD2 ASP A 91 1.392 2.009 8.244 1.00 1.23 O ATOM 0 H ASP A 91 0.235 4.602 4.627 1.00 0.19 H new ATOM 0 HA ASP A 91 -0.490 1.851 4.891 1.00 0.22 H new ATOM 0 HB2 ASP A 91 1.810 2.548 5.186 1.00 0.27 H new ATOM 0 HB3 ASP A 91 1.377 3.709 6.424 1.00 0.27 H new ATOM 1484 N ARG A 92 -1.484 3.861 7.310 1.00 0.21 N ATOM 1485 CA ARG A 92 -2.410 3.916 8.476 1.00 0.23 C ATOM 1486 C ARG A 92 -3.852 4.025 7.977 1.00 0.23 C ATOM 1487 O ARG A 92 -4.777 3.567 8.618 1.00 0.26 O ATOM 1488 CB ARG A 92 -2.075 5.137 9.336 1.00 0.24 C ATOM 1489 CG ARG A 92 -0.657 4.996 9.893 1.00 0.33 C ATOM 1490 CD ARG A 92 -0.718 4.394 11.297 1.00 0.36 C ATOM 1491 NE ARG A 92 0.615 3.832 11.655 1.00 1.52 N ATOM 1492 CZ ARG A 92 0.887 3.538 12.897 1.00 1.81 C ATOM 1493 NH1 ARG A 92 -0.009 3.737 13.827 1.00 1.29 N ATOM 1494 NH2 ARG A 92 2.054 3.046 13.211 1.00 2.92 N ATOM 0 H ARG A 92 -1.050 4.749 7.058 1.00 0.21 H new ATOM 0 HA ARG A 92 -2.299 3.010 9.072 1.00 0.23 H new ATOM 0 HB2 ARG A 92 -2.155 6.047 8.741 1.00 0.24 H new ATOM 0 HB3 ARG A 92 -2.791 5.227 10.153 1.00 0.24 H new ATOM 0 HG2 ARG A 92 -0.060 4.361 9.239 1.00 0.33 H new ATOM 0 HG3 ARG A 92 -0.169 5.970 9.924 1.00 0.33 H new ATOM 0 HD2 ARG A 92 -1.009 5.157 12.019 1.00 0.36 H new ATOM 0 HD3 ARG A 92 -1.477 3.612 11.336 1.00 0.36 H new ATOM 0 HE ARG A 92 1.315 3.677 10.929 1.00 1.52 H new ATOM 0 HH11 ARG A 92 -0.921 4.122 13.582 1.00 1.29 H new ATOM 0 HH12 ARG A 92 0.204 3.507 14.798 1.00 1.29 H new ATOM 0 HH21 ARG A 92 2.754 2.891 12.486 1.00 2.92 H new ATOM 0 HH22 ARG A 92 2.266 2.816 14.182 1.00 2.92 H new ATOM 1508 N ASN A 93 -4.051 4.627 6.837 1.00 0.20 N ATOM 1509 CA ASN A 93 -5.433 4.764 6.298 1.00 0.21 C ATOM 1510 C ASN A 93 -6.002 3.377 5.994 1.00 0.19 C ATOM 1511 O ASN A 93 -7.181 3.130 6.155 1.00 0.23 O ATOM 1512 CB ASN A 93 -5.400 5.595 5.013 1.00 0.28 C ATOM 1513 CG ASN A 93 -4.599 6.876 5.254 1.00 0.34 C ATOM 1514 OD1 ASN A 93 -4.214 7.550 4.319 1.00 0.65 O ATOM 1515 ND2 ASN A 93 -4.331 7.242 6.477 1.00 1.23 N ATOM 0 H ASN A 93 -3.316 5.030 6.255 1.00 0.20 H new ATOM 0 HA ASN A 93 -6.063 5.261 7.036 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -4.949 5.018 4.206 1.00 0.28 H new ATOM 0 HB3 ASN A 93 -6.415 5.841 4.700 1.00 0.28 H new ATOM 0 HD21 ASN A 93 -3.798 8.094 6.649 1.00 1.23 H new ATOM 0 HD22 ASN A 93 -4.655 6.676 7.261 1.00 1.23 H new ATOM 1522 N LEU A 94 -5.174 2.468 5.556 1.00 0.37 N ATOM 1523 CA LEU A 94 -5.668 1.098 5.242 1.00 0.36 C ATOM 1524 C LEU A 94 -6.012 0.371 6.543 1.00 0.31 C ATOM 1525 O LEU A 94 -7.075 -0.201 6.683 1.00 0.40 O ATOM 1526 CB LEU A 94 -4.578 0.322 4.495 1.00 0.42 C ATOM 1527 CG LEU A 94 -4.575 0.724 3.016 1.00 0.19 C ATOM 1528 CD1 LEU A 94 -3.219 0.373 2.399 1.00 0.29 C ATOM 1529 CD2 LEU A 94 -5.677 -0.032 2.262 1.00 0.93 C ATOM 0 H LEU A 94 -4.177 2.615 5.402 1.00 0.37 H new ATOM 0 HA LEU A 94 -6.559 1.166 4.617 1.00 0.36 H new ATOM 0 HB2 LEU A 94 -3.604 0.527 4.939 1.00 0.42 H new ATOM 0 HB3 LEU A 94 -4.752 -0.750 4.590 1.00 0.42 H new ATOM 0 HG LEU A 94 -4.756 1.796 2.939 1.00 0.19 H new ATOM 0 HD11 LEU A 94 -3.213 0.658 1.347 1.00 0.29 H new ATOM 0 HD12 LEU A 94 -2.430 0.911 2.925 1.00 0.29 H new ATOM 0 HD13 LEU A 94 -3.047 -0.700 2.486 1.00 0.29 H new ATOM 0 HD21 LEU A 94 -5.666 0.261 1.212 1.00 0.93 H new ATOM 0 HD22 LEU A 94 -5.502 -1.105 2.341 1.00 0.93 H new ATOM 0 HD23 LEU A 94 -6.647 0.210 2.696 1.00 0.93 H new ATOM 1541 N TRP A 95 -5.122 0.388 7.497 1.00 0.37 N ATOM 1542 CA TRP A 95 -5.400 -0.303 8.788 1.00 0.30 C ATOM 1543 C TRP A 95 -6.445 0.490 9.576 1.00 0.30 C ATOM 1544 O TRP A 95 -6.921 0.055 10.606 1.00 0.31 O ATOM 1545 CB TRP A 95 -4.110 -0.399 9.604 1.00 0.30 C ATOM 1546 CG TRP A 95 -4.419 -0.947 10.961 1.00 0.27 C ATOM 1547 CD1 TRP A 95 -4.665 -0.201 12.062 1.00 0.31 C ATOM 1548 CD2 TRP A 95 -4.520 -2.339 11.378 1.00 0.23 C ATOM 1549 NE1 TRP A 95 -4.910 -1.046 13.129 1.00 0.27 N ATOM 1550 CE2 TRP A 95 -4.831 -2.373 12.758 1.00 0.24 C ATOM 1551 CE3 TRP A 95 -4.371 -3.564 10.701 1.00 0.24 C ATOM 1552 CZ2 TRP A 95 -4.991 -3.580 13.442 1.00 0.26 C ATOM 1553 CZ3 TRP A 95 -4.531 -4.779 11.386 1.00 0.30 C ATOM 1554 CH2 TRP A 95 -4.840 -4.787 12.754 1.00 0.31 C ATOM 0 H TRP A 95 -4.215 0.850 7.438 1.00 0.37 H new ATOM 0 HA TRP A 95 -5.779 -1.306 8.589 1.00 0.30 H new ATOM 0 HB2 TRP A 95 -3.392 -1.042 9.095 1.00 0.30 H new ATOM 0 HB3 TRP A 95 -3.649 0.585 9.693 1.00 0.30 H new ATOM 0 HD1 TRP A 95 -4.669 0.878 12.101 1.00 0.31 H new ATOM 0 HE1 TRP A 95 -5.123 -0.728 14.074 1.00 0.27 H new ATOM 0 HE3 TRP A 95 -4.132 -3.569 9.648 1.00 0.24 H new ATOM 0 HZ2 TRP A 95 -5.230 -3.581 14.495 1.00 0.26 H new ATOM 0 HZ3 TRP A 95 -4.415 -5.713 10.856 1.00 0.30 H new ATOM 0 HH2 TRP A 95 -4.961 -5.725 13.275 1.00 0.31 H new ATOM 1565 N GLY A 96 -6.805 1.651 9.101 1.00 0.27 N ATOM 1566 CA GLY A 96 -7.818 2.470 9.824 1.00 0.26 C ATOM 1567 C GLY A 96 -9.209 1.871 9.605 1.00 0.29 C ATOM 1568 O GLY A 96 -9.810 1.326 10.509 1.00 0.34 O ATOM 0 H GLY A 96 -6.441 2.067 8.244 1.00 0.27 H new ATOM 0 HA2 GLY A 96 -7.586 2.498 10.889 1.00 0.26 H new ATOM 0 HA3 GLY A 96 -7.793 3.499 9.465 1.00 0.26 H new ATOM 1572 N LEU A 97 -9.725 1.969 8.411 1.00 0.29 N ATOM 1573 CA LEU A 97 -11.078 1.405 8.135 1.00 0.33 C ATOM 1574 C LEU A 97 -11.073 -0.099 8.415 1.00 0.36 C ATOM 1575 O LEU A 97 -12.078 -0.767 8.279 1.00 0.37 O ATOM 1576 CB LEU A 97 -11.465 1.664 6.671 1.00 0.33 C ATOM 1577 CG LEU A 97 -10.323 1.254 5.725 1.00 0.32 C ATOM 1578 CD1 LEU A 97 -10.157 -0.271 5.698 1.00 0.38 C ATOM 1579 CD2 LEU A 97 -10.643 1.747 4.312 1.00 0.30 C ATOM 0 H LEU A 97 -9.269 2.415 7.615 1.00 0.29 H new ATOM 0 HA LEU A 97 -11.808 1.889 8.784 1.00 0.33 H new ATOM 0 HB2 LEU A 97 -12.367 1.104 6.424 1.00 0.33 H new ATOM 0 HB3 LEU A 97 -11.697 2.720 6.532 1.00 0.33 H new ATOM 0 HG LEU A 97 -9.395 1.700 6.084 1.00 0.32 H new ATOM 0 HD11 LEU A 97 -9.344 -0.537 5.022 1.00 0.38 H new ATOM 0 HD12 LEU A 97 -9.927 -0.630 6.701 1.00 0.38 H new ATOM 0 HD13 LEU A 97 -11.082 -0.732 5.351 1.00 0.38 H new ATOM 0 HD21 LEU A 97 -9.838 1.460 3.636 1.00 0.30 H new ATOM 0 HD22 LEU A 97 -11.578 1.300 3.974 1.00 0.30 H new ATOM 0 HD23 LEU A 97 -10.742 2.833 4.319 1.00 0.30 H new ATOM 1591 N ALA A 98 -9.949 -0.636 8.801 1.00 0.38 N ATOM 1592 CA ALA A 98 -9.881 -2.097 9.086 1.00 0.42 C ATOM 1593 C ALA A 98 -10.501 -2.379 10.456 1.00 0.34 C ATOM 1594 O ALA A 98 -11.482 -3.088 10.570 1.00 0.31 O ATOM 1595 CB ALA A 98 -8.419 -2.550 9.086 1.00 0.55 C ATOM 0 H ALA A 98 -9.075 -0.127 8.931 1.00 0.38 H new ATOM 0 HA ALA A 98 -10.431 -2.642 8.319 1.00 0.42 H new ATOM 0 HB1 ALA A 98 -8.369 -3.619 9.295 1.00 0.55 H new ATOM 0 HB2 ALA A 98 -7.976 -2.350 8.110 1.00 0.55 H new ATOM 0 HB3 ALA A 98 -7.869 -2.005 9.853 1.00 0.55 H new ATOM 1601 N GLY A 99 -9.938 -1.830 11.497 1.00 0.42 N ATOM 1602 CA GLY A 99 -10.497 -2.068 12.858 1.00 0.41 C ATOM 1603 C GLY A 99 -10.320 -3.541 13.233 1.00 0.41 C ATOM 1604 O GLY A 99 -10.927 -4.031 14.164 1.00 0.65 O ATOM 0 H GLY A 99 -9.116 -1.227 11.464 1.00 0.42 H new ATOM 0 HA2 GLY A 99 -9.992 -1.433 13.586 1.00 0.41 H new ATOM 0 HA3 GLY A 99 -11.553 -1.801 12.881 1.00 0.41 H new ATOM 1608 N LEU A 100 -9.494 -4.250 12.513 1.00 0.28 N ATOM 1609 CA LEU A 100 -9.279 -5.690 12.829 1.00 0.27 C ATOM 1610 C LEU A 100 -8.213 -5.821 13.918 1.00 0.31 C ATOM 1611 O LEU A 100 -7.201 -5.149 13.893 1.00 0.48 O ATOM 1612 CB LEU A 100 -8.815 -6.425 11.569 1.00 0.24 C ATOM 1613 CG LEU A 100 -9.881 -7.434 11.144 1.00 0.25 C ATOM 1614 CD1 LEU A 100 -9.494 -8.052 9.799 1.00 0.42 C ATOM 1615 CD2 LEU A 100 -9.986 -8.538 12.199 1.00 0.41 C ATOM 0 H LEU A 100 -8.959 -3.894 11.720 1.00 0.28 H new ATOM 0 HA LEU A 100 -10.213 -6.127 13.182 1.00 0.27 H new ATOM 0 HB2 LEU A 100 -8.634 -5.711 10.765 1.00 0.24 H new ATOM 0 HB3 LEU A 100 -7.871 -6.936 11.760 1.00 0.24 H new ATOM 0 HG LEU A 100 -10.841 -6.928 11.048 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -10.255 -8.772 9.497 1.00 0.42 H new ATOM 0 HD12 LEU A 100 -9.417 -7.267 9.047 1.00 0.42 H new ATOM 0 HD13 LEU A 100 -8.533 -8.558 9.894 1.00 0.42 H new ATOM 0 HD21 LEU A 100 -10.746 -9.259 11.897 1.00 0.41 H new ATOM 0 HD22 LEU A 100 -9.025 -9.043 12.294 1.00 0.41 H new ATOM 0 HD23 LEU A 100 -10.262 -8.100 13.158 1.00 0.41 H new ATOM 1627 N ASN A 101 -8.431 -6.679 14.876 1.00 0.28 N ATOM 1628 CA ASN A 101 -7.430 -6.851 15.965 1.00 0.32 C ATOM 1629 C ASN A 101 -6.464 -7.980 15.598 1.00 0.31 C ATOM 1630 O ASN A 101 -5.280 -7.766 15.428 1.00 0.33 O ATOM 1631 CB ASN A 101 -8.150 -7.200 17.270 1.00 0.36 C ATOM 1632 CG ASN A 101 -8.699 -5.924 17.908 1.00 1.06 C ATOM 1633 OD1 ASN A 101 -9.833 -5.887 18.344 1.00 2.18 O ATOM 1634 ND2 ASN A 101 -7.937 -4.866 17.984 1.00 0.89 N ATOM 0 H ASN A 101 -9.260 -7.269 14.951 1.00 0.28 H new ATOM 0 HA ASN A 101 -6.872 -5.924 16.094 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -8.963 -7.899 17.073 1.00 0.36 H new ATOM 0 HB3 ASN A 101 -7.462 -7.695 17.956 1.00 0.36 H new ATOM 0 HD21 ASN A 101 -8.294 -4.010 18.409 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -6.985 -4.896 17.619 1.00 0.89 H new ATOM 1641 N SER A 102 -6.960 -9.181 15.476 1.00 0.36 N ATOM 1642 CA SER A 102 -6.070 -10.321 15.120 1.00 0.35 C ATOM 1643 C SER A 102 -5.929 -10.406 13.600 1.00 0.20 C ATOM 1644 O SER A 102 -6.902 -10.366 12.873 1.00 0.26 O ATOM 1645 CB SER A 102 -6.673 -11.622 15.649 1.00 0.50 C ATOM 1646 OG SER A 102 -6.197 -11.859 16.968 1.00 0.82 O ATOM 0 H SER A 102 -7.942 -9.421 15.607 1.00 0.36 H new ATOM 0 HA SER A 102 -5.088 -10.167 15.567 1.00 0.35 H new ATOM 0 HB2 SER A 102 -7.761 -11.558 15.649 1.00 0.50 H new ATOM 0 HB3 SER A 102 -6.402 -12.453 14.998 1.00 0.50 H new ATOM 0 HG SER A 102 -6.583 -12.692 17.311 1.00 0.82 H new ATOM 1652 N CYS A 103 -4.724 -10.521 13.111 1.00 0.13 N ATOM 1653 CA CYS A 103 -4.520 -10.608 11.638 1.00 0.11 C ATOM 1654 C CYS A 103 -3.100 -11.106 11.341 1.00 0.17 C ATOM 1655 O CYS A 103 -2.285 -10.360 10.834 1.00 0.31 O ATOM 1656 CB CYS A 103 -4.707 -9.220 11.023 1.00 0.20 C ATOM 1657 SG CYS A 103 -4.949 -9.378 9.236 1.00 0.27 S ATOM 0 H CYS A 103 -3.871 -10.558 13.669 1.00 0.13 H new ATOM 0 HA CYS A 103 -5.243 -11.303 11.212 1.00 0.11 H new ATOM 0 HB2 CYS A 103 -5.566 -8.723 11.474 1.00 0.20 H new ATOM 0 HB3 CYS A 103 -3.835 -8.599 11.229 1.00 0.20 H new ATOM 1662 N PRO A 104 -2.836 -12.350 11.666 1.00 0.11 N ATOM 1663 CA PRO A 104 -1.507 -12.948 11.438 1.00 0.17 C ATOM 1664 C PRO A 104 -1.194 -12.990 9.939 1.00 0.32 C ATOM 1665 O PRO A 104 -2.075 -12.900 9.108 1.00 0.56 O ATOM 1666 CB PRO A 104 -1.609 -14.369 12.008 1.00 0.08 C ATOM 1667 CG PRO A 104 -3.047 -14.556 12.554 1.00 0.18 C ATOM 1668 CD PRO A 104 -3.824 -13.258 12.282 1.00 0.15 C ATOM 0 HA PRO A 104 -0.709 -12.375 11.911 1.00 0.17 H new ATOM 0 HB2 PRO A 104 -1.394 -15.107 11.235 1.00 0.08 H new ATOM 0 HB3 PRO A 104 -0.876 -14.516 12.802 1.00 0.08 H new ATOM 0 HG2 PRO A 104 -3.533 -15.402 12.068 1.00 0.18 H new ATOM 0 HG3 PRO A 104 -3.025 -14.772 13.622 1.00 0.18 H new ATOM 0 HD2 PRO A 104 -4.668 -13.435 11.616 1.00 0.15 H new ATOM 0 HD3 PRO A 104 -4.227 -12.838 13.203 1.00 0.15 H new ATOM 1676 N VAL A 105 0.056 -13.127 9.590 1.00 0.34 N ATOM 1677 CA VAL A 105 0.430 -13.175 8.148 1.00 0.48 C ATOM 1678 C VAL A 105 0.480 -14.634 7.688 1.00 0.23 C ATOM 1679 O VAL A 105 0.309 -15.546 8.474 1.00 0.55 O ATOM 1680 CB VAL A 105 1.804 -12.526 7.960 1.00 0.75 C ATOM 1681 CG1 VAL A 105 2.857 -13.332 8.722 1.00 0.79 C ATOM 1682 CG2 VAL A 105 2.167 -12.498 6.472 1.00 0.94 C ATOM 0 H VAL A 105 0.836 -13.208 10.243 1.00 0.34 H new ATOM 0 HA VAL A 105 -0.309 -12.634 7.556 1.00 0.48 H new ATOM 0 HB VAL A 105 1.773 -11.506 8.343 1.00 0.75 H new ATOM 0 HG11 VAL A 105 3.835 -12.870 8.588 1.00 0.79 H new ATOM 0 HG12 VAL A 105 2.605 -13.349 9.782 1.00 0.79 H new ATOM 0 HG13 VAL A 105 2.882 -14.352 8.339 1.00 0.79 H new ATOM 0 HG21 VAL A 105 3.146 -12.035 6.345 1.00 0.94 H new ATOM 0 HG22 VAL A 105 2.194 -13.517 6.085 1.00 0.94 H new ATOM 0 HG23 VAL A 105 1.420 -11.922 5.926 1.00 0.94 H new ATOM 1692 N LYS A 106 0.713 -14.860 6.422 1.00 0.75 N ATOM 1693 CA LYS A 106 0.776 -16.258 5.904 1.00 0.60 C ATOM 1694 C LYS A 106 1.924 -16.377 4.900 1.00 0.56 C ATOM 1695 O LYS A 106 3.049 -16.018 5.184 1.00 0.59 O ATOM 1696 CB LYS A 106 -0.545 -16.605 5.213 1.00 0.71 C ATOM 1697 CG LYS A 106 -0.632 -18.120 5.009 1.00 0.72 C ATOM 1698 CD LYS A 106 -1.405 -18.417 3.723 1.00 1.38 C ATOM 1699 CE LYS A 106 -1.704 -19.915 3.641 1.00 1.24 C ATOM 1700 NZ LYS A 106 -2.529 -20.193 2.432 1.00 2.60 N ATOM 0 H LYS A 106 0.863 -14.133 5.722 1.00 0.75 H new ATOM 0 HA LYS A 106 0.945 -16.946 6.732 1.00 0.60 H new ATOM 0 HB2 LYS A 106 -1.385 -16.260 5.816 1.00 0.71 H new ATOM 0 HB3 LYS A 106 -0.611 -16.094 4.253 1.00 0.71 H new ATOM 0 HG2 LYS A 106 0.369 -18.548 4.952 1.00 0.72 H new ATOM 0 HG3 LYS A 106 -1.129 -18.585 5.861 1.00 0.72 H new ATOM 0 HD2 LYS A 106 -2.335 -17.848 3.706 1.00 1.38 H new ATOM 0 HD3 LYS A 106 -0.823 -18.104 2.856 1.00 1.38 H new ATOM 0 HE2 LYS A 106 -0.773 -20.480 3.597 1.00 1.24 H new ATOM 0 HE3 LYS A 106 -2.232 -20.241 4.537 1.00 1.24 H new ATOM 0 HZ1 LYS A 106 -2.732 -21.212 2.377 1.00 2.60 H new ATOM 0 HZ2 LYS A 106 -3.423 -19.665 2.493 1.00 2.60 H new ATOM 0 HZ3 LYS A 106 -2.009 -19.897 1.581 1.00 2.60 H new ATOM 1714 N GLU A 107 1.649 -16.880 3.727 1.00 0.51 N ATOM 1715 CA GLU A 107 2.725 -17.021 2.706 1.00 0.48 C ATOM 1716 C GLU A 107 2.137 -16.818 1.309 1.00 0.36 C ATOM 1717 O GLU A 107 0.935 -16.774 1.132 1.00 0.38 O ATOM 1718 CB GLU A 107 3.338 -18.420 2.802 1.00 0.50 C ATOM 1719 CG GLU A 107 3.809 -18.675 4.235 1.00 0.44 C ATOM 1720 CD GLU A 107 4.638 -19.960 4.279 1.00 0.49 C ATOM 1721 OE1 GLU A 107 5.151 -20.346 3.242 1.00 0.95 O ATOM 1722 OE2 GLU A 107 4.747 -20.535 5.350 1.00 1.49 O ATOM 0 H GLU A 107 0.726 -17.199 3.432 1.00 0.51 H new ATOM 0 HA GLU A 107 3.496 -16.272 2.887 1.00 0.48 H new ATOM 0 HB2 GLU A 107 2.604 -19.171 2.510 1.00 0.50 H new ATOM 0 HB3 GLU A 107 4.176 -18.509 2.111 1.00 0.50 H new ATOM 0 HG2 GLU A 107 4.404 -17.833 4.589 1.00 0.44 H new ATOM 0 HG3 GLU A 107 2.951 -18.760 4.901 1.00 0.44 H new ATOM 1729 N ALA A 108 2.973 -16.693 0.315 1.00 0.40 N ATOM 1730 CA ALA A 108 2.461 -16.493 -1.070 1.00 0.51 C ATOM 1731 C ALA A 108 3.641 -16.372 -2.036 1.00 0.53 C ATOM 1732 O ALA A 108 4.777 -16.611 -1.678 1.00 0.56 O ATOM 1733 CB ALA A 108 1.623 -15.213 -1.124 1.00 0.77 C ATOM 0 H ALA A 108 3.989 -16.721 0.402 1.00 0.40 H new ATOM 0 HA ALA A 108 1.843 -17.344 -1.356 1.00 0.51 H new ATOM 0 HB1 ALA A 108 1.248 -15.066 -2.137 1.00 0.77 H new ATOM 0 HB2 ALA A 108 0.783 -15.299 -0.435 1.00 0.77 H new ATOM 0 HB3 ALA A 108 2.241 -14.361 -0.839 1.00 0.77 H new ATOM 1739 N ASP A 109 3.382 -15.999 -3.261 1.00 0.56 N ATOM 1740 CA ASP A 109 4.490 -15.863 -4.247 1.00 0.62 C ATOM 1741 C ASP A 109 5.219 -14.539 -4.015 1.00 0.54 C ATOM 1742 O ASP A 109 5.587 -14.207 -2.907 1.00 0.54 O ATOM 1743 CB ASP A 109 3.916 -15.889 -5.665 1.00 0.66 C ATOM 1744 CG ASP A 109 3.208 -17.224 -5.906 1.00 0.74 C ATOM 1745 OD1 ASP A 109 3.007 -17.947 -4.945 1.00 0.32 O ATOM 1746 OD2 ASP A 109 2.880 -17.500 -7.048 1.00 1.45 O ATOM 0 H ASP A 109 2.452 -15.783 -3.620 1.00 0.56 H new ATOM 0 HA ASP A 109 5.190 -16.689 -4.124 1.00 0.62 H new ATOM 0 HB2 ASP A 109 3.216 -15.065 -5.800 1.00 0.66 H new ATOM 0 HB3 ASP A 109 4.714 -15.752 -6.394 1.00 0.66 H new ATOM 1751 N GLN A 110 5.431 -13.778 -5.054 1.00 0.49 N ATOM 1752 CA GLN A 110 6.136 -12.475 -4.893 1.00 0.42 C ATOM 1753 C GLN A 110 5.658 -11.500 -5.970 1.00 0.40 C ATOM 1754 O GLN A 110 5.024 -11.885 -6.932 1.00 0.45 O ATOM 1755 CB GLN A 110 7.645 -12.691 -5.033 1.00 0.36 C ATOM 1756 CG GLN A 110 8.358 -12.131 -3.801 1.00 0.63 C ATOM 1757 CD GLN A 110 9.864 -12.364 -3.932 1.00 0.67 C ATOM 1758 OE1 GLN A 110 10.492 -11.855 -4.840 1.00 1.51 O ATOM 1759 NE2 GLN A 110 10.475 -13.117 -3.060 1.00 1.12 N ATOM 0 H GLN A 110 5.146 -14.002 -6.007 1.00 0.49 H new ATOM 0 HA GLN A 110 5.918 -12.063 -3.908 1.00 0.42 H new ATOM 0 HB2 GLN A 110 7.862 -13.754 -5.140 1.00 0.36 H new ATOM 0 HB3 GLN A 110 8.011 -12.198 -5.934 1.00 0.36 H new ATOM 0 HG2 GLN A 110 8.152 -11.065 -3.702 1.00 0.63 H new ATOM 0 HG3 GLN A 110 7.982 -12.614 -2.899 1.00 0.63 H new ATOM 0 HE21 GLN A 110 9.949 -13.544 -2.298 1.00 1.12 H new ATOM 0 HE22 GLN A 110 11.479 -13.278 -3.140 1.00 1.12 H new ATOM 1768 N SER A 111 5.957 -10.238 -5.817 1.00 0.36 N ATOM 1769 CA SER A 111 5.518 -9.241 -6.832 1.00 0.35 C ATOM 1770 C SER A 111 6.340 -7.960 -6.677 1.00 0.29 C ATOM 1771 O SER A 111 6.693 -7.566 -5.583 1.00 0.40 O ATOM 1772 CB SER A 111 4.037 -8.923 -6.629 1.00 0.40 C ATOM 1773 OG SER A 111 3.764 -8.828 -5.236 1.00 0.38 O ATOM 0 H SER A 111 6.486 -9.856 -5.033 1.00 0.36 H new ATOM 0 HA SER A 111 5.667 -9.651 -7.831 1.00 0.35 H new ATOM 0 HB2 SER A 111 3.783 -7.987 -7.126 1.00 0.40 H new ATOM 0 HB3 SER A 111 3.421 -9.701 -7.080 1.00 0.40 H new ATOM 0 HG SER A 111 2.795 -8.782 -5.095 1.00 0.38 H new ATOM 1779 N THR A 112 6.648 -7.306 -7.764 1.00 0.29 N ATOM 1780 CA THR A 112 7.446 -6.051 -7.678 1.00 0.22 C ATOM 1781 C THR A 112 6.564 -4.921 -7.142 1.00 0.17 C ATOM 1782 O THR A 112 5.367 -4.904 -7.348 1.00 0.08 O ATOM 1783 CB THR A 112 7.963 -5.678 -9.069 1.00 0.28 C ATOM 1784 OG1 THR A 112 6.870 -5.598 -9.973 1.00 0.44 O ATOM 1785 CG2 THR A 112 8.950 -6.742 -9.552 1.00 0.22 C ATOM 0 H THR A 112 6.381 -7.587 -8.708 1.00 0.29 H new ATOM 0 HA THR A 112 8.290 -6.203 -7.006 1.00 0.22 H new ATOM 0 HB THR A 112 8.468 -4.713 -9.022 1.00 0.28 H new ATOM 0 HG1 THR A 112 7.199 -5.357 -10.864 1.00 0.44 H new ATOM 0 HG21 THR A 112 9.317 -6.475 -10.543 1.00 0.22 H new ATOM 0 HG22 THR A 112 9.789 -6.802 -8.858 1.00 0.22 H new ATOM 0 HG23 THR A 112 8.449 -7.709 -9.600 1.00 0.22 H new ATOM 1793 N LEU A 113 7.146 -3.977 -6.455 1.00 0.25 N ATOM 1794 CA LEU A 113 6.340 -2.849 -5.907 1.00 0.22 C ATOM 1795 C LEU A 113 5.495 -2.239 -7.027 1.00 0.18 C ATOM 1796 O LEU A 113 4.437 -1.690 -6.790 1.00 0.14 O ATOM 1797 CB LEU A 113 7.285 -1.786 -5.333 1.00 0.30 C ATOM 1798 CG LEU A 113 6.478 -0.651 -4.692 1.00 0.38 C ATOM 1799 CD1 LEU A 113 5.654 -1.190 -3.518 1.00 0.44 C ATOM 1800 CD2 LEU A 113 7.440 0.425 -4.180 1.00 0.33 C ATOM 0 H LEU A 113 8.144 -3.938 -6.249 1.00 0.25 H new ATOM 0 HA LEU A 113 5.682 -3.214 -5.118 1.00 0.22 H new ATOM 0 HB2 LEU A 113 7.944 -2.237 -4.591 1.00 0.30 H new ATOM 0 HB3 LEU A 113 7.920 -1.388 -6.124 1.00 0.30 H new ATOM 0 HG LEU A 113 5.805 -0.226 -5.437 1.00 0.38 H new ATOM 0 HD11 LEU A 113 5.084 -0.376 -3.069 1.00 0.44 H new ATOM 0 HD12 LEU A 113 4.969 -1.958 -3.877 1.00 0.44 H new ATOM 0 HD13 LEU A 113 6.322 -1.620 -2.772 1.00 0.44 H new ATOM 0 HD21 LEU A 113 6.871 1.235 -3.723 1.00 0.33 H new ATOM 0 HD22 LEU A 113 8.111 -0.010 -3.439 1.00 0.33 H new ATOM 0 HD23 LEU A 113 8.024 0.817 -5.013 1.00 0.33 H new ATOM 1812 N GLU A 114 5.951 -2.332 -8.247 1.00 0.22 N ATOM 1813 CA GLU A 114 5.172 -1.758 -9.379 1.00 0.26 C ATOM 1814 C GLU A 114 3.965 -2.653 -9.672 1.00 0.25 C ATOM 1815 O GLU A 114 2.839 -2.306 -9.379 1.00 0.31 O ATOM 1816 CB GLU A 114 6.061 -1.678 -10.621 1.00 0.30 C ATOM 1817 CG GLU A 114 5.263 -1.085 -11.784 1.00 0.53 C ATOM 1818 CD GLU A 114 6.222 -0.649 -12.893 1.00 0.55 C ATOM 1819 OE1 GLU A 114 7.107 -1.423 -13.222 1.00 1.24 O ATOM 1820 OE2 GLU A 114 6.056 0.450 -13.394 1.00 1.08 O ATOM 0 H GLU A 114 6.829 -2.781 -8.508 1.00 0.22 H new ATOM 0 HA GLU A 114 4.828 -0.758 -9.114 1.00 0.26 H new ATOM 0 HB2 GLU A 114 6.936 -1.062 -10.415 1.00 0.30 H new ATOM 0 HB3 GLU A 114 6.425 -2.671 -10.885 1.00 0.30 H new ATOM 0 HG2 GLU A 114 4.558 -1.822 -12.168 1.00 0.53 H new ATOM 0 HG3 GLU A 114 4.677 -0.233 -11.440 1.00 0.53 H new ATOM 1827 N ASN A 115 4.192 -3.802 -10.247 1.00 0.20 N ATOM 1828 CA ASN A 115 3.057 -4.716 -10.556 1.00 0.27 C ATOM 1829 C ASN A 115 2.154 -4.838 -9.327 1.00 0.27 C ATOM 1830 O ASN A 115 0.943 -4.831 -9.430 1.00 0.38 O ATOM 1831 CB ASN A 115 3.600 -6.097 -10.929 1.00 0.26 C ATOM 1832 CG ASN A 115 4.374 -6.004 -12.245 1.00 0.30 C ATOM 1833 OD1 ASN A 115 4.633 -7.004 -12.884 1.00 1.16 O ATOM 1834 ND2 ASN A 115 4.759 -4.835 -12.679 1.00 0.77 N ATOM 0 H ASN A 115 5.113 -4.147 -10.516 1.00 0.20 H new ATOM 0 HA ASN A 115 2.483 -4.314 -11.391 1.00 0.27 H new ATOM 0 HB2 ASN A 115 4.251 -6.469 -10.138 1.00 0.26 H new ATOM 0 HB3 ASN A 115 2.779 -6.808 -11.027 1.00 0.26 H new ATOM 0 HD21 ASN A 115 5.277 -4.761 -13.554 1.00 0.77 H new ATOM 0 HD22 ASN A 115 4.542 -3.995 -12.143 1.00 0.77 H new ATOM 1841 N PHE A 116 2.735 -4.947 -8.163 1.00 0.14 N ATOM 1842 CA PHE A 116 1.911 -5.067 -6.928 1.00 0.14 C ATOM 1843 C PHE A 116 0.943 -3.884 -6.848 1.00 0.21 C ATOM 1844 O PHE A 116 -0.230 -4.048 -6.577 1.00 0.25 O ATOM 1845 CB PHE A 116 2.828 -5.061 -5.703 1.00 0.07 C ATOM 1846 CG PHE A 116 1.991 -5.049 -4.447 1.00 0.07 C ATOM 1847 CD1 PHE A 116 1.580 -3.832 -3.891 1.00 0.08 C ATOM 1848 CD2 PHE A 116 1.627 -6.255 -3.836 1.00 0.06 C ATOM 1849 CE1 PHE A 116 0.804 -3.821 -2.726 1.00 0.08 C ATOM 1850 CE2 PHE A 116 0.851 -6.244 -2.671 1.00 0.06 C ATOM 1851 CZ PHE A 116 0.440 -5.026 -2.116 1.00 0.06 C ATOM 0 H PHE A 116 3.744 -4.958 -8.015 1.00 0.14 H new ATOM 0 HA PHE A 116 1.346 -5.999 -6.954 1.00 0.14 H new ATOM 0 HB2 PHE A 116 3.473 -5.939 -5.714 1.00 0.07 H new ATOM 0 HB3 PHE A 116 3.479 -4.187 -5.727 1.00 0.07 H new ATOM 0 HD1 PHE A 116 1.862 -2.901 -4.361 1.00 0.08 H new ATOM 0 HD2 PHE A 116 1.945 -7.194 -4.264 1.00 0.06 H new ATOM 0 HE1 PHE A 116 0.486 -2.882 -2.298 1.00 0.08 H new ATOM 0 HE2 PHE A 116 0.569 -7.174 -2.201 1.00 0.06 H new ATOM 0 HZ PHE A 116 -0.158 -5.017 -1.217 1.00 0.06 H new ATOM 1861 N LEU A 117 1.426 -2.695 -7.081 1.00 0.26 N ATOM 1862 CA LEU A 117 0.533 -1.504 -7.021 1.00 0.36 C ATOM 1863 C LEU A 117 -0.443 -1.536 -8.199 1.00 0.42 C ATOM 1864 O LEU A 117 -1.495 -0.929 -8.164 1.00 0.48 O ATOM 1865 CB LEU A 117 1.376 -0.228 -7.092 1.00 0.40 C ATOM 1866 CG LEU A 117 1.655 0.286 -5.676 1.00 0.47 C ATOM 1867 CD1 LEU A 117 2.808 1.290 -5.716 1.00 0.51 C ATOM 1868 CD2 LEU A 117 0.404 0.976 -5.117 1.00 0.64 C ATOM 0 H LEU A 117 2.400 -2.497 -7.310 1.00 0.26 H new ATOM 0 HA LEU A 117 -0.026 -1.518 -6.086 1.00 0.36 H new ATOM 0 HB2 LEU A 117 2.315 -0.429 -7.608 1.00 0.40 H new ATOM 0 HB3 LEU A 117 0.852 0.534 -7.669 1.00 0.40 H new ATOM 0 HG LEU A 117 1.921 -0.555 -5.036 1.00 0.47 H new ATOM 0 HD11 LEU A 117 3.007 1.656 -4.709 1.00 0.51 H new ATOM 0 HD12 LEU A 117 3.701 0.803 -6.108 1.00 0.51 H new ATOM 0 HD13 LEU A 117 2.539 2.127 -6.360 1.00 0.51 H new ATOM 0 HD21 LEU A 117 0.608 1.339 -4.110 1.00 0.64 H new ATOM 0 HD22 LEU A 117 0.134 1.815 -5.758 1.00 0.64 H new ATOM 0 HD23 LEU A 117 -0.421 0.264 -5.085 1.00 0.64 H new ATOM 1880 N GLU A 118 -0.102 -2.240 -9.243 1.00 0.42 N ATOM 1881 CA GLU A 118 -1.011 -2.311 -10.422 1.00 0.51 C ATOM 1882 C GLU A 118 -2.220 -3.183 -10.082 1.00 0.52 C ATOM 1883 O GLU A 118 -3.354 -2.756 -10.180 1.00 0.66 O ATOM 1884 CB GLU A 118 -0.260 -2.920 -11.609 1.00 0.51 C ATOM 1885 CG GLU A 118 -0.978 -2.553 -12.909 1.00 0.57 C ATOM 1886 CD GLU A 118 -0.520 -1.169 -13.372 1.00 0.42 C ATOM 1887 OE1 GLU A 118 0.562 -1.080 -13.928 1.00 0.88 O ATOM 1888 OE2 GLU A 118 -1.260 -0.222 -13.164 1.00 1.48 O ATOM 0 H GLU A 118 0.766 -2.769 -9.331 1.00 0.42 H new ATOM 0 HA GLU A 118 -1.349 -1.308 -10.682 1.00 0.51 H new ATOM 0 HB2 GLU A 118 0.766 -2.552 -11.631 1.00 0.51 H new ATOM 0 HB3 GLU A 118 -0.208 -4.004 -11.503 1.00 0.51 H new ATOM 0 HG2 GLU A 118 -0.763 -3.295 -13.678 1.00 0.57 H new ATOM 0 HG3 GLU A 118 -2.057 -2.558 -12.755 1.00 0.57 H new ATOM 1895 N ARG A 119 -1.989 -4.404 -9.684 1.00 0.41 N ATOM 1896 CA ARG A 119 -3.127 -5.303 -9.338 1.00 0.43 C ATOM 1897 C ARG A 119 -3.872 -4.739 -8.127 1.00 0.43 C ATOM 1898 O ARG A 119 -5.083 -4.797 -8.049 1.00 0.41 O ATOM 1899 CB ARG A 119 -2.592 -6.698 -9.005 1.00 0.42 C ATOM 1900 CG ARG A 119 -1.628 -6.604 -7.821 1.00 0.37 C ATOM 1901 CD ARG A 119 -0.873 -7.928 -7.672 1.00 0.42 C ATOM 1902 NE ARG A 119 -1.768 -9.056 -8.056 1.00 0.80 N ATOM 1903 CZ ARG A 119 -1.264 -10.235 -8.295 1.00 0.92 C ATOM 1904 NH1 ARG A 119 0.023 -10.427 -8.198 1.00 0.68 N ATOM 1905 NH2 ARG A 119 -2.047 -11.223 -8.630 1.00 1.36 N ATOM 0 H ARG A 119 -1.062 -4.818 -9.583 1.00 0.41 H new ATOM 0 HA ARG A 119 -3.809 -5.369 -10.185 1.00 0.43 H new ATOM 0 HB2 ARG A 119 -3.417 -7.368 -8.764 1.00 0.42 H new ATOM 0 HB3 ARG A 119 -2.082 -7.120 -9.871 1.00 0.42 H new ATOM 0 HG2 ARG A 119 -0.924 -5.787 -7.976 1.00 0.37 H new ATOM 0 HG3 ARG A 119 -2.178 -6.382 -6.907 1.00 0.37 H new ATOM 0 HD2 ARG A 119 0.016 -7.925 -8.302 1.00 0.42 H new ATOM 0 HD3 ARG A 119 -0.534 -8.052 -6.643 1.00 0.42 H new ATOM 0 HE ARG A 119 -2.774 -8.906 -8.132 1.00 0.80 H new ATOM 0 HH11 ARG A 119 0.635 -9.655 -7.935 1.00 0.68 H new ATOM 0 HH12 ARG A 119 0.417 -11.349 -8.385 1.00 0.68 H new ATOM 0 HH21 ARG A 119 -3.053 -11.073 -8.705 1.00 1.36 H new ATOM 0 HH22 ARG A 119 -1.653 -12.145 -8.817 1.00 1.36 H new ATOM 1919 N LEU A 120 -3.158 -4.192 -7.181 1.00 0.44 N ATOM 1920 CA LEU A 120 -3.828 -3.624 -5.976 1.00 0.43 C ATOM 1921 C LEU A 120 -4.693 -2.435 -6.394 1.00 0.42 C ATOM 1922 O LEU A 120 -5.891 -2.425 -6.194 1.00 0.41 O ATOM 1923 CB LEU A 120 -2.763 -3.161 -4.976 1.00 0.44 C ATOM 1924 CG LEU A 120 -3.371 -3.062 -3.571 1.00 0.44 C ATOM 1925 CD1 LEU A 120 -2.274 -2.701 -2.569 1.00 0.45 C ATOM 1926 CD2 LEU A 120 -4.456 -1.979 -3.544 1.00 0.43 C ATOM 0 H LEU A 120 -2.141 -4.114 -7.190 1.00 0.44 H new ATOM 0 HA LEU A 120 -4.456 -4.383 -5.510 1.00 0.43 H new ATOM 0 HB2 LEU A 120 -1.928 -3.861 -4.971 1.00 0.44 H new ATOM 0 HB3 LEU A 120 -2.365 -2.192 -5.278 1.00 0.44 H new ATOM 0 HG LEU A 120 -3.815 -4.021 -3.306 1.00 0.44 H new ATOM 0 HD11 LEU A 120 -2.703 -2.630 -1.570 1.00 0.45 H new ATOM 0 HD12 LEU A 120 -1.504 -3.472 -2.579 1.00 0.45 H new ATOM 0 HD13 LEU A 120 -1.832 -1.743 -2.843 1.00 0.45 H new ATOM 0 HD21 LEU A 120 -4.882 -1.916 -2.543 1.00 0.43 H new ATOM 0 HD22 LEU A 120 -4.018 -1.018 -3.813 1.00 0.43 H new ATOM 0 HD23 LEU A 120 -5.241 -2.232 -4.257 1.00 0.43 H new ATOM 1938 N LYS A 121 -4.095 -1.429 -6.974 1.00 0.43 N ATOM 1939 CA LYS A 121 -4.884 -0.241 -7.404 1.00 0.42 C ATOM 1940 C LYS A 121 -6.098 -0.701 -8.215 1.00 0.41 C ATOM 1941 O LYS A 121 -7.204 -0.243 -8.008 1.00 0.42 O ATOM 1942 CB LYS A 121 -4.008 0.668 -8.269 1.00 0.43 C ATOM 1943 CG LYS A 121 -4.728 1.997 -8.505 1.00 0.42 C ATOM 1944 CD LYS A 121 -4.734 2.317 -10.002 1.00 1.01 C ATOM 1945 CE LYS A 121 -3.294 2.398 -10.514 1.00 0.86 C ATOM 1946 NZ LYS A 121 -3.109 3.664 -11.277 1.00 0.71 N ATOM 0 H LYS A 121 -3.095 -1.380 -7.168 1.00 0.43 H new ATOM 0 HA LYS A 121 -5.221 0.308 -6.525 1.00 0.42 H new ATOM 0 HB2 LYS A 121 -3.051 0.843 -7.778 1.00 0.43 H new ATOM 0 HB3 LYS A 121 -3.793 0.184 -9.222 1.00 0.43 H new ATOM 0 HG2 LYS A 121 -5.750 1.940 -8.131 1.00 0.42 H new ATOM 0 HG3 LYS A 121 -4.230 2.795 -7.954 1.00 0.42 H new ATOM 0 HD2 LYS A 121 -5.282 1.548 -10.547 1.00 1.01 H new ATOM 0 HD3 LYS A 121 -5.248 3.261 -10.180 1.00 1.01 H new ATOM 0 HE2 LYS A 121 -2.596 2.360 -9.677 1.00 0.86 H new ATOM 0 HE3 LYS A 121 -3.075 1.541 -11.151 1.00 0.86 H new ATOM 0 HZ1 LYS A 121 -2.131 3.720 -11.625 1.00 0.71 H new ATOM 0 HZ2 LYS A 121 -3.765 3.682 -12.084 1.00 0.71 H new ATOM 0 HZ3 LYS A 121 -3.302 4.475 -10.655 1.00 0.71 H new ATOM 1960 N THR A 122 -5.900 -1.604 -9.136 1.00 0.38 N ATOM 1961 CA THR A 122 -7.043 -2.092 -9.958 1.00 0.37 C ATOM 1962 C THR A 122 -8.083 -2.746 -9.047 1.00 0.38 C ATOM 1963 O THR A 122 -9.253 -2.419 -9.089 1.00 0.35 O ATOM 1964 CB THR A 122 -6.538 -3.118 -10.975 1.00 0.36 C ATOM 1965 OG1 THR A 122 -5.306 -2.672 -11.523 1.00 0.40 O ATOM 1966 CG2 THR A 122 -7.568 -3.280 -12.094 1.00 0.28 C ATOM 0 H THR A 122 -4.997 -2.025 -9.355 1.00 0.38 H new ATOM 0 HA THR A 122 -7.497 -1.252 -10.484 1.00 0.37 H new ATOM 0 HB THR A 122 -6.389 -4.078 -10.480 1.00 0.36 H new ATOM 0 HG1 THR A 122 -4.565 -3.144 -11.089 1.00 0.40 H new ATOM 0 HG21 THR A 122 -7.207 -4.011 -12.818 1.00 0.28 H new ATOM 0 HG22 THR A 122 -8.513 -3.623 -11.672 1.00 0.28 H new ATOM 0 HG23 THR A 122 -7.719 -2.322 -12.591 1.00 0.28 H new ATOM 1974 N ILE A 123 -7.667 -3.668 -8.223 1.00 0.43 N ATOM 1975 CA ILE A 123 -8.633 -4.341 -7.310 1.00 0.45 C ATOM 1976 C ILE A 123 -9.425 -3.284 -6.535 1.00 0.46 C ATOM 1977 O ILE A 123 -10.615 -3.413 -6.331 1.00 0.47 O ATOM 1978 CB ILE A 123 -7.871 -5.230 -6.326 1.00 0.51 C ATOM 1979 CG1 ILE A 123 -7.412 -6.503 -7.039 1.00 0.51 C ATOM 1980 CG2 ILE A 123 -8.787 -5.603 -5.158 1.00 0.54 C ATOM 1981 CD1 ILE A 123 -6.397 -7.242 -6.166 1.00 0.61 C ATOM 0 H ILE A 123 -6.701 -3.984 -8.143 1.00 0.43 H new ATOM 0 HA ILE A 123 -9.320 -4.953 -7.895 1.00 0.45 H new ATOM 0 HB ILE A 123 -7.002 -4.691 -5.948 1.00 0.51 H new ATOM 0 HG12 ILE A 123 -8.268 -7.146 -7.243 1.00 0.51 H new ATOM 0 HG13 ILE A 123 -6.965 -6.252 -8.001 1.00 0.51 H new ATOM 0 HG21 ILE A 123 -8.243 -6.237 -4.457 1.00 0.54 H new ATOM 0 HG22 ILE A 123 -9.115 -4.697 -4.649 1.00 0.54 H new ATOM 0 HG23 ILE A 123 -9.656 -6.142 -5.535 1.00 0.54 H new ATOM 0 HD11 ILE A 123 -6.071 -8.149 -6.675 1.00 0.61 H new ATOM 0 HD12 ILE A 123 -5.536 -6.598 -5.984 1.00 0.61 H new ATOM 0 HD13 ILE A 123 -6.859 -7.506 -5.215 1.00 0.61 H new ATOM 1993 N MET A 124 -8.772 -2.240 -6.103 1.00 0.46 N ATOM 1994 CA MET A 124 -9.486 -1.177 -5.343 1.00 0.48 C ATOM 1995 C MET A 124 -10.580 -0.569 -6.223 1.00 0.41 C ATOM 1996 O MET A 124 -11.706 -0.397 -5.801 1.00 0.29 O ATOM 1997 CB MET A 124 -8.494 -0.086 -4.936 1.00 0.55 C ATOM 1998 CG MET A 124 -7.766 -0.507 -3.659 1.00 0.62 C ATOM 1999 SD MET A 124 -8.791 -0.111 -2.221 1.00 0.84 S ATOM 2000 CE MET A 124 -7.444 0.095 -1.031 1.00 0.78 C ATOM 0 H MET A 124 -7.775 -2.078 -6.244 1.00 0.46 H new ATOM 0 HA MET A 124 -9.936 -1.610 -4.450 1.00 0.48 H new ATOM 0 HB2 MET A 124 -7.775 0.084 -5.738 1.00 0.55 H new ATOM 0 HB3 MET A 124 -9.019 0.855 -4.774 1.00 0.55 H new ATOM 0 HG2 MET A 124 -7.554 -1.576 -3.684 1.00 0.62 H new ATOM 0 HG3 MET A 124 -6.807 0.007 -3.588 1.00 0.62 H new ATOM 0 HE1 MET A 124 -7.857 0.348 -0.054 1.00 0.78 H new ATOM 0 HE2 MET A 124 -6.879 -0.834 -0.956 1.00 0.78 H new ATOM 0 HE3 MET A 124 -6.783 0.895 -1.364 1.00 0.78 H new ATOM 2010 N ARG A 125 -10.259 -0.245 -7.446 1.00 0.53 N ATOM 2011 CA ARG A 125 -11.282 0.350 -8.352 1.00 0.46 C ATOM 2012 C ARG A 125 -12.415 -0.653 -8.570 1.00 0.37 C ATOM 2013 O ARG A 125 -13.537 -0.284 -8.858 1.00 0.30 O ATOM 2014 CB ARG A 125 -10.635 0.691 -9.697 1.00 0.48 C ATOM 2015 CG ARG A 125 -11.427 1.811 -10.374 1.00 1.19 C ATOM 2016 CD ARG A 125 -10.842 3.166 -9.972 1.00 0.98 C ATOM 2017 NE ARG A 125 -11.821 4.243 -10.289 1.00 1.89 N ATOM 2018 CZ ARG A 125 -11.673 5.432 -9.770 1.00 2.69 C ATOM 2019 NH1 ARG A 125 -10.668 5.677 -8.975 1.00 2.87 N ATOM 2020 NH2 ARG A 125 -12.531 6.375 -10.048 1.00 3.51 N ATOM 0 H ARG A 125 -9.333 -0.367 -7.857 1.00 0.53 H new ATOM 0 HA ARG A 125 -11.683 1.258 -7.901 1.00 0.46 H new ATOM 0 HB2 ARG A 125 -9.601 1.002 -9.547 1.00 0.48 H new ATOM 0 HB3 ARG A 125 -10.613 -0.191 -10.336 1.00 0.48 H new ATOM 0 HG2 ARG A 125 -11.389 1.694 -11.457 1.00 1.19 H new ATOM 0 HG3 ARG A 125 -12.476 1.756 -10.084 1.00 1.19 H new ATOM 0 HD2 ARG A 125 -10.610 3.173 -8.907 1.00 0.98 H new ATOM 0 HD3 ARG A 125 -9.907 3.342 -10.503 1.00 0.98 H new ATOM 0 HE ARG A 125 -12.606 4.052 -10.911 1.00 1.89 H new ATOM 0 HH11 ARG A 125 -9.997 4.940 -8.759 1.00 2.87 H new ATOM 0 HH12 ARG A 125 -10.553 6.606 -8.570 1.00 2.87 H new ATOM 0 HH21 ARG A 125 -13.316 6.183 -10.670 1.00 3.51 H new ATOM 0 HH22 ARG A 125 -12.417 7.304 -9.643 1.00 3.51 H new ATOM 2034 N GLU A 126 -12.133 -1.920 -8.435 1.00 0.39 N ATOM 2035 CA GLU A 126 -13.195 -2.946 -8.635 1.00 0.32 C ATOM 2036 C GLU A 126 -14.238 -2.822 -7.523 1.00 0.22 C ATOM 2037 O GLU A 126 -15.408 -2.612 -7.776 1.00 0.18 O ATOM 2038 CB GLU A 126 -12.571 -4.341 -8.596 1.00 0.42 C ATOM 2039 CG GLU A 126 -13.509 -5.341 -9.277 1.00 0.69 C ATOM 2040 CD GLU A 126 -13.417 -6.693 -8.568 1.00 1.38 C ATOM 2041 OE1 GLU A 126 -12.368 -7.309 -8.642 1.00 1.54 O ATOM 2042 OE2 GLU A 126 -14.399 -7.087 -7.960 1.00 2.56 O ATOM 0 H GLU A 126 -11.213 -2.289 -8.195 1.00 0.39 H new ATOM 0 HA GLU A 126 -13.674 -2.790 -9.602 1.00 0.32 H new ATOM 0 HB2 GLU A 126 -11.604 -4.332 -9.100 1.00 0.42 H new ATOM 0 HB3 GLU A 126 -12.390 -4.641 -7.564 1.00 0.42 H new ATOM 0 HG2 GLU A 126 -14.534 -4.972 -9.247 1.00 0.69 H new ATOM 0 HG3 GLU A 126 -13.240 -5.451 -10.328 1.00 0.69 H new ATOM 2049 N LYS A 127 -13.825 -2.952 -6.292 1.00 0.31 N ATOM 2050 CA LYS A 127 -14.794 -2.843 -5.165 1.00 0.30 C ATOM 2051 C LYS A 127 -15.328 -1.411 -5.088 1.00 0.42 C ATOM 2052 O LYS A 127 -16.428 -1.172 -4.635 1.00 0.83 O ATOM 2053 CB LYS A 127 -14.091 -3.196 -3.853 1.00 0.34 C ATOM 2054 CG LYS A 127 -13.076 -4.314 -4.100 1.00 0.28 C ATOM 2055 CD LYS A 127 -12.724 -4.989 -2.773 1.00 0.45 C ATOM 2056 CE LYS A 127 -11.274 -5.476 -2.816 1.00 1.16 C ATOM 2057 NZ LYS A 127 -10.955 -6.195 -1.550 1.00 1.97 N ATOM 0 H LYS A 127 -12.859 -3.129 -6.018 1.00 0.31 H new ATOM 0 HA LYS A 127 -15.623 -3.531 -5.330 1.00 0.30 H new ATOM 0 HB2 LYS A 127 -13.588 -2.317 -3.450 1.00 0.34 H new ATOM 0 HB3 LYS A 127 -14.823 -3.513 -3.110 1.00 0.34 H new ATOM 0 HG2 LYS A 127 -13.488 -5.046 -4.794 1.00 0.28 H new ATOM 0 HG3 LYS A 127 -12.177 -3.907 -4.563 1.00 0.28 H new ATOM 0 HD2 LYS A 127 -12.859 -4.288 -1.949 1.00 0.45 H new ATOM 0 HD3 LYS A 127 -13.395 -5.828 -2.591 1.00 0.45 H new ATOM 0 HE2 LYS A 127 -11.126 -6.137 -3.670 1.00 1.16 H new ATOM 0 HE3 LYS A 127 -10.599 -4.631 -2.947 1.00 1.16 H new ATOM 0 HZ1 LYS A 127 -10.006 -6.614 -1.618 1.00 1.97 H new ATOM 0 HZ2 LYS A 127 -10.982 -5.526 -0.754 1.00 1.97 H new ATOM 0 HZ3 LYS A 127 -11.655 -6.948 -1.393 1.00 1.97 H new ATOM 2071 N TYR A 128 -14.555 -0.455 -5.529 1.00 0.15 N ATOM 2072 CA TYR A 128 -15.018 0.959 -5.481 1.00 0.30 C ATOM 2073 C TYR A 128 -16.186 1.146 -6.453 1.00 0.73 C ATOM 2074 O TYR A 128 -16.672 2.242 -6.650 1.00 0.92 O ATOM 2075 CB TYR A 128 -13.869 1.887 -5.880 1.00 0.20 C ATOM 2076 CG TYR A 128 -14.190 3.299 -5.453 1.00 0.26 C ATOM 2077 CD1 TYR A 128 -13.985 3.694 -4.126 1.00 0.29 C ATOM 2078 CD2 TYR A 128 -14.693 4.214 -6.387 1.00 0.44 C ATOM 2079 CE1 TYR A 128 -14.283 5.004 -3.732 1.00 0.34 C ATOM 2080 CE2 TYR A 128 -14.991 5.524 -5.992 1.00 0.51 C ATOM 2081 CZ TYR A 128 -14.786 5.919 -4.664 1.00 0.40 C ATOM 2082 OH TYR A 128 -15.079 7.211 -4.275 1.00 0.48 O ATOM 0 H TYR A 128 -13.623 -0.594 -5.920 1.00 0.15 H new ATOM 0 HA TYR A 128 -15.344 1.200 -4.469 1.00 0.30 H new ATOM 0 HB2 TYR A 128 -12.941 1.556 -5.412 1.00 0.20 H new ATOM 0 HB3 TYR A 128 -13.714 1.848 -6.958 1.00 0.20 H new ATOM 0 HD1 TYR A 128 -13.597 2.988 -3.406 1.00 0.29 H new ATOM 0 HD2 TYR A 128 -14.851 3.909 -7.411 1.00 0.44 H new ATOM 0 HE1 TYR A 128 -14.125 5.309 -2.708 1.00 0.34 H new ATOM 0 HE2 TYR A 128 -15.379 6.230 -6.711 1.00 0.51 H new ATOM 0 HH TYR A 128 -15.417 7.715 -5.044 1.00 0.48 H new