USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1007 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 TYR OH : rot 151:sc= 1.31 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -143:sc= 1.65 (180deg=-0.0532) USER MOD Set 1.3: A 57 THR OG1 : rot -62:sc= 0.179 USER MOD Set 2.1: A 27 MET CE :methyl 163:sc= -0.538 (180deg=-1.4) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -138:sc= -0.302 (180deg=-1.71!) USER MOD Set 3.1: A 8 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 11 THR OG1 : rot -116:sc= -0.0235 USER MOD Set 3.3: A 12 HIS : no HD1:sc= 0.0361 K(o=0.013,f=-6.8!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 120:sc= -1.12 USER MOD Single : A 18 GLN : amide:sc= -0.628 K(o=-0.63,f=-1.3) USER MOD Single : A 20 GLN : amide:sc= -0.987 K(o=-0.99,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= -0.258 (180deg=-1.61!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0903) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0413 (180deg=-0.383) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0695) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= 1.72 (180deg=0.995) USER MOD Single : A 43 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0072) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= 0.9 (180deg=0.601) USER MOD Single : A 59 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.85! C(o=-1.9!,f=-7.7!) USER MOD Single : A 76 LYS NZ :NH3+ -148:sc= 2.1 (180deg=1.52) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 84 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0627) USER MOD Single : A 86 SER OG : rot -36:sc= 0.134 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 144:sc= 1.3 (180deg=1.1) USER MOD Single : A 102 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.47) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 173:sc= 1.48 (180deg=1.25) USER MOD Single : A 110 LYS NZ :NH3+ -116:sc= 0.178 (180deg=-2.21!) USER MOD Single : A 111 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.12) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 142:sc= 1.04 (180deg=-0.187) USER MOD Single : A 122 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.014) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -1.400 5.224 -11.231 1.00 1.08 N ATOM 106 CA PHE A 3 -1.922 4.973 -9.899 1.00 0.89 C ATOM 107 C PHE A 3 -1.503 6.134 -9.016 1.00 0.90 C ATOM 108 O PHE A 3 -0.353 6.574 -9.080 1.00 1.22 O ATOM 109 CB PHE A 3 -1.393 3.653 -9.321 1.00 0.94 C ATOM 110 CG PHE A 3 -1.979 2.423 -9.959 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.259 1.999 -9.637 1.00 0.90 C ATOM 112 CD2 PHE A 3 -1.248 1.692 -10.883 1.00 0.97 C ATOM 113 CE1 PHE A 3 -3.799 0.870 -10.224 1.00 0.97 C ATOM 114 CE2 PHE A 3 -1.783 0.562 -11.472 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.067 0.147 -11.129 1.00 0.96 C ATOM 0 HA PHE A 3 -3.008 4.887 -9.945 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -0.309 3.627 -9.436 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.601 3.628 -8.251 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -3.841 2.557 -8.919 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -0.250 2.009 -11.145 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -4.801 0.557 -9.969 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -1.208 0.003 -12.195 1.00 0.99 H new ATOM 0 HZ PHE A 3 -3.485 -0.743 -11.575 1.00 0.96 H new ATOM 125 N THR A 4 -2.413 6.643 -8.207 1.00 0.74 N ATOM 126 CA THR A 4 -2.145 7.810 -7.388 1.00 0.76 C ATOM 127 C THR A 4 -2.707 7.616 -5.991 1.00 0.71 C ATOM 128 O THR A 4 -3.633 6.831 -5.782 1.00 0.76 O ATOM 129 CB THR A 4 -2.753 9.082 -8.014 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.130 8.861 -8.341 1.00 0.68 O ATOM 131 CG2 THR A 4 -1.988 9.499 -9.260 1.00 0.96 C ATOM 0 H THR A 4 -3.353 6.262 -8.099 1.00 0.74 H new ATOM 0 HA THR A 4 -1.063 7.933 -7.331 1.00 0.76 H new ATOM 0 HB THR A 4 -2.680 9.886 -7.282 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.507 9.675 -8.736 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.439 10.398 -9.680 1.00 0.96 H new ATOM 0 HG22 THR A 4 -0.949 9.702 -8.998 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.026 8.696 -9.996 1.00 0.96 H new ATOM 139 N LEU A 5 -2.132 8.328 -5.034 1.00 0.74 N ATOM 140 CA LEU A 5 -2.529 8.207 -3.642 1.00 0.77 C ATOM 141 C LEU A 5 -3.883 8.850 -3.377 1.00 0.67 C ATOM 142 O LEU A 5 -4.591 8.434 -2.466 1.00 0.73 O ATOM 143 CB LEU A 5 -1.486 8.853 -2.731 1.00 0.91 C ATOM 144 CG LEU A 5 -0.066 8.300 -2.854 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.861 9.026 -1.898 1.00 1.67 C ATOM 146 CD2 LEU A 5 -0.045 6.803 -2.582 1.00 1.67 C ATOM 0 H LEU A 5 -1.383 9.000 -5.199 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.605 7.141 -3.426 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -1.459 9.922 -2.941 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.813 8.739 -1.697 1.00 0.91 H new ATOM 0 HG LEU A 5 0.282 8.464 -3.874 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.870 8.624 -1.994 1.00 1.67 H new ATOM 0 HD12 LEU A 5 0.870 10.089 -2.137 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.511 8.887 -0.875 1.00 1.67 H new ATOM 0 HD21 LEU A 5 0.975 6.431 -2.675 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -0.411 6.611 -1.573 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.684 6.293 -3.303 1.00 1.67 H new ATOM 158 N GLU A 6 -4.257 9.835 -4.193 1.00 0.60 N ATOM 159 CA GLU A 6 -5.629 10.340 -4.186 1.00 0.58 C ATOM 160 C GLU A 6 -6.548 9.205 -4.600 1.00 0.59 C ATOM 161 O GLU A 6 -7.577 9.017 -3.952 1.00 0.61 O ATOM 162 CB GLU A 6 -5.776 11.534 -5.129 1.00 0.62 C ATOM 163 CG GLU A 6 -4.909 12.719 -4.742 1.00 0.87 C ATOM 164 CD GLU A 6 -5.115 13.909 -5.650 1.00 1.35 C ATOM 165 OE1 GLU A 6 -6.129 14.615 -5.494 1.00 1.68 O ATOM 166 OE2 GLU A 6 -4.259 14.143 -6.530 1.00 1.80 O ATOM 0 H GLU A 6 -3.637 10.295 -4.860 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.893 10.688 -3.188 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.520 11.221 -6.141 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.820 11.847 -5.146 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.131 13.007 -3.715 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.861 12.422 -4.770 1.00 0.87 H new ATOM 173 N SER A 7 -6.228 8.453 -5.642 1.00 0.59 N ATOM 174 CA SER A 7 -7.079 7.346 -6.075 1.00 0.63 C ATOM 175 C SER A 7 -7.380 6.371 -4.926 1.00 0.62 C ATOM 176 O SER A 7 -8.364 5.629 -4.981 1.00 0.78 O ATOM 177 CB SER A 7 -6.420 6.606 -7.244 1.00 0.67 C ATOM 178 OG SER A 7 -7.261 5.583 -7.750 1.00 1.14 O ATOM 0 H SER A 7 -5.388 8.586 -6.205 1.00 0.59 H new ATOM 0 HA SER A 7 -8.030 7.766 -6.403 1.00 0.63 H new ATOM 0 HB2 SER A 7 -6.187 7.314 -8.039 1.00 0.67 H new ATOM 0 HB3 SER A 7 -5.475 6.173 -6.916 1.00 0.67 H new ATOM 0 HG SER A 7 -6.814 5.131 -8.495 1.00 1.14 H new ATOM 184 N SER A 8 -6.556 6.374 -3.881 1.00 0.53 N ATOM 185 CA SER A 8 -6.739 5.459 -2.772 1.00 0.52 C ATOM 186 C SER A 8 -7.455 6.056 -1.556 1.00 0.48 C ATOM 187 O SER A 8 -7.970 5.316 -0.728 1.00 0.48 O ATOM 188 CB SER A 8 -5.411 4.859 -2.339 1.00 0.57 C ATOM 189 OG SER A 8 -4.779 4.183 -3.413 1.00 1.02 O ATOM 0 H SER A 8 -5.758 7.002 -3.785 1.00 0.53 H new ATOM 0 HA SER A 8 -7.399 4.683 -3.160 1.00 0.52 H new ATOM 0 HB2 SER A 8 -4.757 5.648 -1.967 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.574 4.165 -1.515 1.00 0.57 H new ATOM 0 HG SER A 8 -3.863 3.947 -3.157 1.00 1.02 H new ATOM 195 N LEU A 9 -7.423 7.387 -1.407 1.00 0.47 N ATOM 196 CA LEU A 9 -7.721 8.043 -0.129 1.00 0.46 C ATOM 197 C LEU A 9 -9.067 7.716 0.519 1.00 0.46 C ATOM 198 O LEU A 9 -9.224 7.743 1.733 1.00 0.42 O ATOM 199 CB LEU A 9 -7.580 9.539 -0.287 1.00 0.49 C ATOM 200 CG LEU A 9 -6.174 9.990 -0.639 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.197 11.433 -1.059 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.221 9.769 0.533 1.00 0.78 C ATOM 0 H LEU A 9 -7.192 8.033 -2.162 1.00 0.47 H new ATOM 0 HA LEU A 9 -6.988 7.630 0.564 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.265 9.879 -1.064 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.885 10.023 0.641 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.807 9.391 -1.472 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.187 11.755 -1.311 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -6.842 11.548 -1.930 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.579 12.044 -0.241 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.220 10.100 0.256 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.566 10.340 1.395 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.195 8.709 0.786 1.00 0.78 H new ATOM 214 N ASP A 10 -10.033 7.442 -0.345 1.00 0.51 N ATOM 215 CA ASP A 10 -11.367 7.050 0.101 1.00 0.53 C ATOM 216 C ASP A 10 -11.548 5.551 -0.024 1.00 0.54 C ATOM 217 O ASP A 10 -12.618 5.019 0.274 1.00 0.57 O ATOM 218 CB ASP A 10 -12.440 7.768 -0.722 1.00 0.57 C ATOM 219 CG ASP A 10 -12.359 9.274 -0.605 1.00 0.78 C ATOM 220 OD1 ASP A 10 -12.842 9.825 0.411 1.00 0.77 O ATOM 221 OD2 ASP A 10 -11.812 9.921 -1.526 1.00 1.32 O ATOM 0 H ASP A 10 -9.921 7.483 -1.358 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.473 7.335 1.148 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.339 7.484 -1.769 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.425 7.435 -0.395 1.00 0.57 H new ATOM 226 N THR A 11 -10.512 4.869 -0.468 1.00 0.54 N ATOM 227 CA THR A 11 -10.576 3.437 -0.631 1.00 0.56 C ATOM 228 C THR A 11 -9.441 2.724 0.110 1.00 0.53 C ATOM 229 O THR A 11 -9.524 2.467 1.309 1.00 0.53 O ATOM 230 CB THR A 11 -10.563 3.042 -2.126 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.429 3.629 -2.786 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.841 3.486 -2.819 1.00 0.69 C ATOM 0 H THR A 11 -9.617 5.286 -0.722 1.00 0.54 H new ATOM 0 HA THR A 11 -11.520 3.114 -0.191 1.00 0.56 H new ATOM 0 HB THR A 11 -10.495 1.956 -2.185 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.738 4.260 -3.469 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.805 3.196 -3.869 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.698 3.012 -2.340 1.00 0.69 H new ATOM 0 HG23 THR A 11 -11.937 4.569 -2.745 1.00 0.69 H new ATOM 240 N HIS A 12 -8.379 2.412 -0.625 1.00 0.51 N ATOM 241 CA HIS A 12 -7.249 1.670 -0.069 1.00 0.49 C ATOM 242 C HIS A 12 -6.598 2.425 1.090 1.00 0.43 C ATOM 243 O HIS A 12 -6.216 1.820 2.088 1.00 0.43 O ATOM 244 CB HIS A 12 -6.225 1.340 -1.156 1.00 0.49 C ATOM 245 CG HIS A 12 -6.850 0.833 -2.415 1.00 0.57 C ATOM 246 ND1 HIS A 12 -7.694 -0.256 -2.453 1.00 1.50 N ATOM 247 CD2 HIS A 12 -6.777 1.291 -3.685 1.00 0.90 C ATOM 248 CE1 HIS A 12 -8.111 -0.442 -3.690 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.571 0.482 -4.455 1.00 0.66 N ATOM 0 H HIS A 12 -8.275 2.661 -1.609 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.634 0.731 0.329 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.642 2.233 -1.381 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.529 0.592 -0.776 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -6.200 2.137 -4.029 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -8.782 -1.221 -4.019 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -7.719 0.580 -5.459 1.00 0.66 H new ATOM 258 N LEU A 13 -6.461 3.734 0.965 1.00 0.40 N ATOM 259 CA LEU A 13 -5.692 4.503 1.933 1.00 0.36 C ATOM 260 C LEU A 13 -6.588 5.321 2.860 1.00 0.34 C ATOM 261 O LEU A 13 -6.179 6.327 3.437 1.00 0.32 O ATOM 262 CB LEU A 13 -4.682 5.415 1.224 1.00 0.34 C ATOM 263 CG LEU A 13 -3.289 4.798 0.979 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.691 4.286 2.279 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.346 3.673 -0.042 1.00 0.84 C ATOM 0 H LEU A 13 -6.868 4.285 0.209 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.149 3.788 2.551 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.101 5.715 0.264 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.560 6.322 1.816 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.652 5.587 0.580 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.709 3.855 2.083 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.591 5.112 2.984 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.344 3.523 2.704 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.347 3.263 -0.188 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -4.011 2.888 0.318 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.722 4.060 -0.989 1.00 0.84 H new ATOM 277 N LYS A 14 -7.822 4.844 2.983 1.00 0.38 N ATOM 278 CA LYS A 14 -8.863 5.511 3.758 1.00 0.38 C ATOM 279 C LYS A 14 -8.534 5.538 5.251 1.00 0.35 C ATOM 280 O LYS A 14 -9.034 6.379 5.999 1.00 0.36 O ATOM 281 CB LYS A 14 -10.200 4.797 3.536 1.00 0.45 C ATOM 282 CG LYS A 14 -10.270 3.418 4.183 1.00 0.64 C ATOM 283 CD LYS A 14 -11.505 2.636 3.751 1.00 0.67 C ATOM 284 CE LYS A 14 -12.787 3.416 3.992 1.00 1.26 C ATOM 285 NZ LYS A 14 -13.992 2.563 3.828 1.00 1.69 N ATOM 0 H LYS A 14 -8.131 3.977 2.544 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.927 6.544 3.415 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -11.004 5.417 3.933 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.375 4.696 2.465 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.375 2.852 3.923 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.274 3.528 5.267 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -11.425 2.388 2.693 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -11.546 1.693 4.297 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -12.773 3.836 4.998 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -12.838 4.254 3.297 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -14.846 3.131 4.001 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -14.019 2.183 2.860 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -13.956 1.777 4.508 1.00 1.69 H new ATOM 299 N TRP A 15 -7.687 4.605 5.667 1.00 0.34 N ATOM 300 CA TRP A 15 -7.335 4.458 7.073 1.00 0.33 C ATOM 301 C TRP A 15 -6.347 5.538 7.511 1.00 0.29 C ATOM 302 O TRP A 15 -6.006 5.636 8.690 1.00 0.29 O ATOM 303 CB TRP A 15 -6.735 3.073 7.318 1.00 0.35 C ATOM 304 CG TRP A 15 -5.592 2.769 6.404 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.673 2.240 5.152 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.198 2.973 6.666 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.421 2.112 4.614 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.495 2.550 5.525 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.478 3.473 7.753 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.108 2.611 5.438 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.101 3.534 7.668 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.427 3.105 6.516 1.00 0.30 C ATOM 0 H TRP A 15 -7.229 3.936 5.047 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.244 4.570 7.664 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.396 3.006 8.352 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.510 2.318 7.187 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.591 1.962 4.656 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.211 1.749 3.684 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -3.989 3.806 8.644 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.588 2.280 4.551 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.534 3.919 8.503 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.349 3.166 6.479 1.00 0.30 H new ATOM 323 N LEU A 16 -5.878 6.340 6.563 1.00 0.28 N ATOM 324 CA LEU A 16 -5.023 7.471 6.888 1.00 0.26 C ATOM 325 C LEU A 16 -5.885 8.585 7.465 1.00 0.27 C ATOM 326 O LEU A 16 -7.026 8.799 7.052 1.00 0.31 O ATOM 327 CB LEU A 16 -4.293 7.988 5.641 1.00 0.25 C ATOM 328 CG LEU A 16 -3.361 6.997 4.927 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.889 7.591 3.612 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.159 6.639 5.792 1.00 0.30 C ATOM 0 H LEU A 16 -6.075 6.228 5.568 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.275 7.150 7.613 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -5.041 8.328 4.925 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.706 8.861 5.927 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.924 6.083 4.737 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.228 6.884 3.110 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.750 7.798 2.976 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.349 8.518 3.805 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.521 5.936 5.256 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.593 7.542 6.020 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.502 6.182 6.720 1.00 0.30 H new ATOM 342 N SER A 17 -5.299 9.288 8.416 1.00 0.27 N ATOM 343 CA SER A 17 -5.953 10.442 9.000 1.00 0.30 C ATOM 344 C SER A 17 -5.703 11.652 8.116 1.00 0.33 C ATOM 345 O SER A 17 -4.767 11.629 7.309 1.00 0.34 O ATOM 346 CB SER A 17 -5.429 10.683 10.413 1.00 0.31 C ATOM 347 OG SER A 17 -4.014 10.726 10.421 1.00 1.24 O ATOM 0 H SER A 17 -4.376 9.081 8.798 1.00 0.27 H new ATOM 0 HA SER A 17 -7.027 10.265 9.066 1.00 0.30 H new ATOM 0 HB2 SER A 17 -5.829 11.621 10.799 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.778 9.891 11.076 1.00 0.31 H new ATOM 0 HG SER A 17 -3.715 11.599 10.751 1.00 1.24 H new ATOM 353 N GLN A 18 -6.524 12.689 8.240 1.00 0.36 N ATOM 354 CA GLN A 18 -6.399 13.853 7.369 1.00 0.41 C ATOM 355 C GLN A 18 -4.979 14.405 7.390 1.00 0.41 C ATOM 356 O GLN A 18 -4.391 14.650 6.337 1.00 0.42 O ATOM 357 CB GLN A 18 -7.406 14.938 7.750 1.00 0.47 C ATOM 358 CG GLN A 18 -8.843 14.589 7.394 1.00 1.19 C ATOM 359 CD GLN A 18 -9.060 14.485 5.896 1.00 1.41 C ATOM 360 OE1 GLN A 18 -8.398 15.164 5.107 1.00 1.90 O ATOM 361 NE2 GLN A 18 -9.988 13.633 5.492 1.00 1.91 N ATOM 0 H GLN A 18 -7.276 12.749 8.927 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.621 13.529 6.352 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -7.341 15.122 8.822 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.132 15.867 7.250 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -9.111 13.643 7.864 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -9.510 15.348 7.803 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -10.514 13.090 6.176 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -10.177 13.520 4.496 1.00 1.91 H new ATOM 370 N GLU A 19 -4.431 14.577 8.580 1.00 0.41 N ATOM 371 CA GLU A 19 -3.093 15.091 8.728 1.00 0.42 C ATOM 372 C GLU A 19 -2.060 14.208 8.010 1.00 0.40 C ATOM 373 O GLU A 19 -1.099 14.723 7.441 1.00 0.42 O ATOM 374 CB GLU A 19 -2.776 15.214 10.208 1.00 0.41 C ATOM 375 CG GLU A 19 -3.663 16.213 10.934 1.00 1.18 C ATOM 376 CD GLU A 19 -3.563 17.609 10.355 1.00 1.79 C ATOM 377 OE1 GLU A 19 -2.667 18.374 10.770 1.00 2.01 O ATOM 378 OE2 GLU A 19 -4.381 17.954 9.477 1.00 2.49 O ATOM 0 H GLU A 19 -4.901 14.365 9.460 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.038 16.074 8.260 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -2.883 14.236 10.677 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -1.734 15.512 10.325 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -4.699 15.877 10.885 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -3.386 16.240 11.988 1.00 1.18 H new ATOM 385 N GLN A 20 -2.252 12.890 8.023 1.00 0.37 N ATOM 386 CA GLN A 20 -1.327 11.986 7.338 1.00 0.36 C ATOM 387 C GLN A 20 -1.542 12.038 5.827 1.00 0.38 C ATOM 388 O GLN A 20 -0.577 12.076 5.072 1.00 0.41 O ATOM 389 CB GLN A 20 -1.485 10.549 7.833 1.00 0.33 C ATOM 390 CG GLN A 20 -1.180 10.369 9.310 1.00 0.37 C ATOM 391 CD GLN A 20 -1.261 8.921 9.751 1.00 0.77 C ATOM 392 OE1 GLN A 20 -0.587 8.509 10.693 1.00 1.57 O ATOM 393 NE2 GLN A 20 -2.068 8.128 9.061 1.00 1.04 N ATOM 0 H GLN A 20 -3.030 12.428 8.494 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.315 12.320 7.566 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.506 10.219 7.640 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -0.826 9.901 7.255 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.182 10.753 9.520 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -1.881 10.963 9.897 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -2.612 8.505 8.285 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -2.145 7.141 9.306 1.00 1.04 H new ATOM 402 N LYS A 21 -2.786 12.015 5.370 1.00 0.38 N ATOM 403 CA LYS A 21 -3.035 11.997 3.933 1.00 0.42 C ATOM 404 C LYS A 21 -2.641 13.336 3.311 1.00 0.42 C ATOM 405 O LYS A 21 -2.117 13.387 2.203 1.00 0.43 O ATOM 406 CB LYS A 21 -4.489 11.612 3.618 1.00 0.47 C ATOM 407 CG LYS A 21 -5.547 12.551 4.175 1.00 0.56 C ATOM 408 CD LYS A 21 -6.775 11.786 4.662 1.00 0.54 C ATOM 409 CE LYS A 21 -7.412 10.934 3.571 1.00 0.57 C ATOM 410 NZ LYS A 21 -8.027 11.764 2.503 1.00 0.95 N ATOM 0 H LYS A 21 -3.621 12.008 5.956 1.00 0.38 H new ATOM 0 HA LYS A 21 -2.410 11.226 3.482 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -4.607 11.560 2.536 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -4.675 10.611 4.007 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.126 13.127 4.999 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.843 13.264 3.406 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -6.491 11.146 5.497 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.512 12.494 5.040 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -6.656 10.282 3.133 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -8.172 10.290 4.012 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -8.835 11.256 2.091 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -8.354 12.664 2.908 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -7.323 11.953 1.762 1.00 0.95 H new ATOM 424 N ASP A 22 -2.875 14.410 4.055 1.00 0.44 N ATOM 425 CA ASP A 22 -2.426 15.744 3.658 1.00 0.46 C ATOM 426 C ASP A 22 -0.901 15.836 3.723 1.00 0.46 C ATOM 427 O ASP A 22 -0.303 16.632 3.001 1.00 0.48 O ATOM 428 CB ASP A 22 -3.025 16.794 4.598 1.00 0.49 C ATOM 429 CG ASP A 22 -2.772 18.212 4.125 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.487 18.679 3.213 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.861 18.869 4.672 1.00 0.64 O ATOM 0 H ASP A 22 -3.376 14.385 4.943 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.756 15.927 2.635 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.099 16.630 4.683 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.603 16.667 5.595 1.00 0.49 H new ATOM 436 N GLU A 23 -0.266 15.033 4.562 1.00 0.44 N ATOM 437 CA GLU A 23 1.172 14.886 4.508 1.00 0.45 C ATOM 438 C GLU A 23 1.608 14.311 3.162 1.00 0.42 C ATOM 439 O GLU A 23 2.412 14.922 2.456 1.00 0.44 O ATOM 440 CB GLU A 23 1.659 13.991 5.641 1.00 0.47 C ATOM 441 CG GLU A 23 2.969 14.470 6.190 1.00 0.71 C ATOM 442 CD GLU A 23 3.543 13.601 7.286 1.00 0.97 C ATOM 443 OE1 GLU A 23 3.031 13.659 8.424 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.486 12.829 7.007 1.00 1.40 O ATOM 0 H GLU A 23 -0.725 14.477 5.284 1.00 0.44 H new ATOM 0 HA GLU A 23 1.618 15.874 4.623 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.914 13.971 6.437 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.766 12.969 5.279 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.690 14.529 5.375 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.839 15.481 6.575 1.00 0.71 H new ATOM 451 N LEU A 24 1.056 13.162 2.791 1.00 0.40 N ATOM 452 CA LEU A 24 1.417 12.482 1.563 1.00 0.39 C ATOM 453 C LEU A 24 1.058 13.308 0.325 1.00 0.39 C ATOM 454 O LEU A 24 1.791 13.304 -0.665 1.00 0.41 O ATOM 455 CB LEU A 24 0.703 11.134 1.527 1.00 0.38 C ATOM 456 CG LEU A 24 1.374 10.002 2.317 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.784 10.417 3.717 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.455 8.800 2.374 1.00 1.33 C ATOM 0 H LEU A 24 0.344 12.678 3.338 1.00 0.40 H new ATOM 0 HA LEU A 24 2.498 12.340 1.546 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.308 11.269 1.910 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.610 10.821 0.487 1.00 0.38 H new ATOM 0 HG LEU A 24 2.292 9.744 1.788 1.00 0.50 H new ATOM 0 HD11 LEU A 24 2.252 9.573 4.224 1.00 1.16 H new ATOM 0 HD12 LEU A 24 2.492 11.244 3.659 1.00 1.16 H new ATOM 0 HD13 LEU A 24 0.903 10.732 4.276 1.00 1.16 H new ATOM 0 HD21 LEU A 24 0.937 8.000 2.936 1.00 1.33 H new ATOM 0 HD22 LEU A 24 -0.477 9.078 2.865 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.243 8.456 1.362 1.00 1.33 H new ATOM 470 N LEU A 25 -0.072 14.006 0.380 1.00 0.40 N ATOM 471 CA LEU A 25 -0.491 14.875 -0.716 1.00 0.43 C ATOM 472 C LEU A 25 0.515 15.993 -0.932 1.00 0.46 C ATOM 473 O LEU A 25 0.875 16.307 -2.068 1.00 0.48 O ATOM 474 CB LEU A 25 -1.870 15.464 -0.433 1.00 0.45 C ATOM 475 CG LEU A 25 -3.026 14.467 -0.479 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.337 15.163 -0.167 1.00 1.02 C ATOM 477 CD2 LEU A 25 -3.088 13.787 -1.839 1.00 1.06 C ATOM 0 H LEU A 25 -0.715 13.987 1.172 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.543 14.273 -1.623 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.853 15.930 0.552 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.065 16.255 -1.157 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.855 13.702 0.278 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.151 14.439 -0.204 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.287 15.603 0.829 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.516 15.948 -0.902 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.917 13.080 -1.855 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.237 14.538 -2.615 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -2.154 13.255 -2.023 1.00 1.06 H new ATOM 489 N LYS A 26 0.975 16.573 0.167 1.00 0.47 N ATOM 490 CA LYS A 26 1.958 17.640 0.118 1.00 0.51 C ATOM 491 C LYS A 26 3.283 17.091 -0.386 1.00 0.49 C ATOM 492 O LYS A 26 3.979 17.745 -1.162 1.00 0.51 O ATOM 493 CB LYS A 26 2.116 18.283 1.502 1.00 0.56 C ATOM 494 CG LYS A 26 2.979 19.540 1.517 1.00 0.93 C ATOM 495 CD LYS A 26 4.456 19.216 1.678 1.00 1.62 C ATOM 496 CE LYS A 26 5.325 20.452 1.512 1.00 2.50 C ATOM 497 NZ LYS A 26 6.750 20.174 1.826 1.00 3.24 N ATOM 0 H LYS A 26 0.679 16.318 1.109 1.00 0.47 H new ATOM 0 HA LYS A 26 1.619 18.413 -0.572 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.128 18.531 1.889 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.550 17.550 2.182 1.00 0.56 H new ATOM 0 HG2 LYS A 26 2.828 20.094 0.590 1.00 0.93 H new ATOM 0 HG3 LYS A 26 2.659 20.189 2.332 1.00 0.93 H new ATOM 0 HD2 LYS A 26 4.628 18.780 2.662 1.00 1.62 H new ATOM 0 HD3 LYS A 26 4.746 18.466 0.942 1.00 1.62 H new ATOM 0 HE2 LYS A 26 5.244 20.818 0.489 1.00 2.50 H new ATOM 0 HE3 LYS A 26 4.958 21.244 2.164 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 7.309 21.042 1.701 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 6.832 19.849 2.811 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 7.109 19.436 1.187 1.00 3.24 H new ATOM 511 N MET A 27 3.624 15.886 0.047 1.00 0.47 N ATOM 512 CA MET A 27 4.825 15.224 -0.438 1.00 0.47 C ATOM 513 C MET A 27 4.797 15.054 -1.955 1.00 0.47 C ATOM 514 O MET A 27 5.707 15.510 -2.651 1.00 0.49 O ATOM 515 CB MET A 27 5.002 13.859 0.231 1.00 0.49 C ATOM 516 CG MET A 27 5.229 13.929 1.732 1.00 0.50 C ATOM 517 SD MET A 27 5.411 12.298 2.486 1.00 0.92 S ATOM 518 CE MET A 27 6.824 11.667 1.586 1.00 0.79 C ATOM 0 H MET A 27 3.089 15.349 0.730 1.00 0.47 H new ATOM 0 HA MET A 27 5.671 15.861 -0.179 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.117 13.253 0.036 1.00 0.49 H new ATOM 0 HB3 MET A 27 5.847 13.347 -0.230 1.00 0.49 H new ATOM 0 HG2 MET A 27 6.123 14.519 1.933 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.392 14.449 2.198 1.00 0.50 H new ATOM 0 HE1 MET A 27 7.247 10.818 2.122 1.00 0.79 H new ATOM 0 HE2 MET A 27 6.510 11.348 0.592 1.00 0.79 H new ATOM 0 HE3 MET A 27 7.577 12.450 1.495 1.00 0.79 H new ATOM 528 N LYS A 28 3.742 14.423 -2.467 1.00 0.45 N ATOM 529 CA LYS A 28 3.593 14.204 -3.903 1.00 0.49 C ATOM 530 C LYS A 28 3.583 15.532 -4.663 1.00 0.54 C ATOM 531 O LYS A 28 4.168 15.655 -5.740 1.00 0.58 O ATOM 532 CB LYS A 28 2.294 13.440 -4.181 1.00 0.50 C ATOM 533 CG LYS A 28 2.084 13.088 -5.649 1.00 0.79 C ATOM 534 CD LYS A 28 0.781 12.329 -5.865 1.00 1.41 C ATOM 535 CE LYS A 28 -0.439 13.210 -5.614 1.00 1.82 C ATOM 536 NZ LYS A 28 -0.587 14.270 -6.648 1.00 2.44 N ATOM 0 H LYS A 28 2.975 14.053 -1.905 1.00 0.45 H new ATOM 0 HA LYS A 28 4.444 13.617 -4.248 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.292 12.522 -3.594 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.451 14.040 -3.838 1.00 0.50 H new ATOM 0 HG2 LYS A 28 2.077 14.001 -6.245 1.00 0.79 H new ATOM 0 HG3 LYS A 28 2.920 12.484 -6.002 1.00 0.79 H new ATOM 0 HD2 LYS A 28 0.749 11.946 -6.885 1.00 1.41 H new ATOM 0 HD3 LYS A 28 0.749 11.466 -5.200 1.00 1.41 H new ATOM 0 HE2 LYS A 28 -1.336 12.591 -5.600 1.00 1.82 H new ATOM 0 HE3 LYS A 28 -0.355 13.673 -4.631 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 -1.511 14.734 -6.539 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 0.170 14.974 -6.534 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 -0.523 13.843 -7.594 1.00 2.44 H new ATOM 550 N LYS A 29 2.913 16.516 -4.079 1.00 0.55 N ATOM 551 CA LYS A 29 2.805 17.841 -4.678 1.00 0.62 C ATOM 552 C LYS A 29 4.160 18.539 -4.759 1.00 0.64 C ATOM 553 O LYS A 29 4.515 19.096 -5.796 1.00 0.72 O ATOM 554 CB LYS A 29 1.828 18.701 -3.874 1.00 0.62 C ATOM 555 CG LYS A 29 1.476 20.025 -4.534 1.00 1.13 C ATOM 556 CD LYS A 29 0.734 19.813 -5.844 1.00 1.57 C ATOM 557 CE LYS A 29 0.292 21.131 -6.454 1.00 2.08 C ATOM 558 NZ LYS A 29 -0.633 21.872 -5.558 1.00 2.69 N ATOM 0 H LYS A 29 2.432 16.421 -3.184 1.00 0.55 H new ATOM 0 HA LYS A 29 2.433 17.714 -5.695 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.912 18.134 -3.711 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.259 18.900 -2.893 1.00 0.62 H new ATOM 0 HG2 LYS A 29 0.860 20.618 -3.858 1.00 1.13 H new ATOM 0 HG3 LYS A 29 2.387 20.595 -4.718 1.00 1.13 H new ATOM 0 HD2 LYS A 29 1.378 19.284 -6.546 1.00 1.57 H new ATOM 0 HD3 LYS A 29 -0.137 19.181 -5.672 1.00 1.57 H new ATOM 0 HE2 LYS A 29 1.167 21.747 -6.662 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -0.200 20.943 -7.408 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -1.133 22.603 -6.103 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -1.324 21.211 -5.150 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -0.090 22.321 -4.793 1.00 2.69 H new ATOM 572 N ASP A 30 4.921 18.497 -3.673 1.00 0.62 N ATOM 573 CA ASP A 30 6.172 19.245 -3.592 1.00 0.66 C ATOM 574 C ASP A 30 7.302 18.543 -4.347 1.00 0.65 C ATOM 575 O ASP A 30 8.392 19.089 -4.528 1.00 0.69 O ATOM 576 CB ASP A 30 6.562 19.475 -2.128 1.00 0.67 C ATOM 577 CG ASP A 30 7.832 20.293 -1.975 1.00 1.33 C ATOM 578 OD1 ASP A 30 7.797 21.512 -2.252 1.00 1.32 O ATOM 579 OD2 ASP A 30 8.873 19.721 -1.585 1.00 2.14 O ATOM 0 H ASP A 30 4.696 17.956 -2.838 1.00 0.62 H new ATOM 0 HA ASP A 30 6.012 20.211 -4.070 1.00 0.66 H new ATOM 0 HB2 ASP A 30 5.745 19.983 -1.615 1.00 0.67 H new ATOM 0 HB3 ASP A 30 6.696 18.511 -1.637 1.00 0.67 H new ATOM 584 N GLY A 31 7.010 17.343 -4.827 1.00 0.62 N ATOM 585 CA GLY A 31 7.955 16.642 -5.665 1.00 0.62 C ATOM 586 C GLY A 31 8.765 15.611 -4.921 1.00 0.61 C ATOM 587 O GLY A 31 9.857 15.242 -5.357 1.00 0.63 O ATOM 0 H GLY A 31 6.137 16.845 -4.651 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.417 16.153 -6.477 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.631 17.365 -6.121 1.00 0.62 H new ATOM 591 N LYS A 32 8.248 15.140 -3.795 1.00 0.59 N ATOM 592 CA LYS A 32 8.868 14.032 -3.106 1.00 0.58 C ATOM 593 C LYS A 32 8.690 12.785 -3.959 1.00 0.56 C ATOM 594 O LYS A 32 7.689 12.642 -4.662 1.00 0.55 O ATOM 595 CB LYS A 32 8.265 13.833 -1.712 1.00 0.57 C ATOM 596 CG LYS A 32 8.350 15.069 -0.820 1.00 0.63 C ATOM 597 CD LYS A 32 9.781 15.565 -0.650 1.00 0.76 C ATOM 598 CE LYS A 32 10.626 14.614 0.185 1.00 1.15 C ATOM 599 NZ LYS A 32 10.217 14.605 1.614 1.00 1.65 N ATOM 0 H LYS A 32 7.409 15.508 -3.347 1.00 0.59 H new ATOM 0 HA LYS A 32 9.929 14.238 -2.962 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.219 13.544 -1.817 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.777 13.006 -1.220 1.00 0.57 H new ATOM 0 HG2 LYS A 32 7.741 15.865 -1.248 1.00 0.63 H new ATOM 0 HG3 LYS A 32 7.930 14.837 0.159 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.239 15.689 -1.631 1.00 0.76 H new ATOM 0 HD3 LYS A 32 9.769 16.547 -0.178 1.00 0.76 H new ATOM 0 HE2 LYS A 32 10.543 13.606 -0.221 1.00 1.15 H new ATOM 0 HE3 LYS A 32 11.675 14.902 0.111 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 10.919 14.079 2.173 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 10.157 15.582 1.964 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 9.288 14.147 1.706 1.00 1.65 H new ATOM 613 N ALA A 33 9.663 11.908 -3.915 1.00 0.56 N ATOM 614 CA ALA A 33 9.668 10.723 -4.766 1.00 0.55 C ATOM 615 C ALA A 33 8.631 9.702 -4.307 1.00 0.52 C ATOM 616 O ALA A 33 8.263 9.673 -3.130 1.00 0.50 O ATOM 617 CB ALA A 33 11.054 10.098 -4.799 1.00 0.59 C ATOM 0 H ALA A 33 10.471 11.986 -3.297 1.00 0.56 H new ATOM 0 HA ALA A 33 9.401 11.036 -5.775 1.00 0.55 H new ATOM 0 HB1 ALA A 33 11.040 9.215 -5.438 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.769 10.820 -5.193 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.347 9.810 -3.789 1.00 0.59 H new ATOM 623 N LYS A 34 8.164 8.866 -5.229 1.00 0.53 N ATOM 624 CA LYS A 34 7.181 7.836 -4.898 1.00 0.51 C ATOM 625 C LYS A 34 7.720 6.916 -3.812 1.00 0.51 C ATOM 626 O LYS A 34 6.982 6.498 -2.930 1.00 0.48 O ATOM 627 CB LYS A 34 6.811 7.009 -6.128 1.00 0.56 C ATOM 628 CG LYS A 34 6.133 7.807 -7.225 1.00 1.21 C ATOM 629 CD LYS A 34 5.851 6.933 -8.432 1.00 1.64 C ATOM 630 CE LYS A 34 5.228 7.724 -9.566 1.00 2.21 C ATOM 631 NZ LYS A 34 5.021 6.883 -10.772 1.00 2.97 N ATOM 0 H LYS A 34 8.448 8.880 -6.209 1.00 0.53 H new ATOM 0 HA LYS A 34 6.285 8.340 -4.535 1.00 0.51 H new ATOM 0 HB2 LYS A 34 7.714 6.551 -6.531 1.00 0.56 H new ATOM 0 HB3 LYS A 34 6.151 6.197 -5.822 1.00 0.56 H new ATOM 0 HG2 LYS A 34 5.200 8.229 -6.850 1.00 1.21 H new ATOM 0 HG3 LYS A 34 6.767 8.644 -7.517 1.00 1.21 H new ATOM 0 HD2 LYS A 34 6.779 6.476 -8.775 1.00 1.64 H new ATOM 0 HD3 LYS A 34 5.183 6.121 -8.145 1.00 1.64 H new ATOM 0 HE2 LYS A 34 4.273 8.136 -9.241 1.00 2.21 H new ATOM 0 HE3 LYS A 34 5.870 8.568 -9.817 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 4.594 7.457 -11.526 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 5.936 6.510 -11.097 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 4.388 6.091 -10.539 1.00 2.97 H new ATOM 645 N LYS A 35 9.006 6.607 -3.877 1.00 0.54 N ATOM 646 CA LYS A 35 9.643 5.766 -2.865 1.00 0.56 C ATOM 647 C LYS A 35 9.605 6.415 -1.477 1.00 0.53 C ATOM 648 O LYS A 35 9.854 5.752 -0.474 1.00 0.55 O ATOM 649 CB LYS A 35 11.084 5.440 -3.270 1.00 0.61 C ATOM 650 CG LYS A 35 11.235 4.114 -4.010 1.00 1.17 C ATOM 651 CD LYS A 35 10.300 4.015 -5.207 1.00 1.56 C ATOM 652 CE LYS A 35 10.455 2.691 -5.943 1.00 2.18 C ATOM 653 NZ LYS A 35 10.248 1.521 -5.046 1.00 2.82 N ATOM 0 H LYS A 35 9.632 6.924 -4.618 1.00 0.54 H new ATOM 0 HA LYS A 35 9.076 4.837 -2.805 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.463 6.243 -3.902 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.706 5.418 -2.375 1.00 0.61 H new ATOM 0 HG2 LYS A 35 12.266 4.003 -4.346 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.033 3.292 -3.324 1.00 1.17 H new ATOM 0 HD2 LYS A 35 9.269 4.125 -4.872 1.00 1.56 H new ATOM 0 HD3 LYS A 35 10.501 4.837 -5.894 1.00 1.56 H new ATOM 0 HE2 LYS A 35 9.740 2.648 -6.764 1.00 2.18 H new ATOM 0 HE3 LYS A 35 11.450 2.637 -6.384 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 9.976 0.693 -5.613 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 11.130 1.316 -4.534 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 9.493 1.736 -4.364 1.00 2.82 H new ATOM 667 N GLU A 36 9.289 7.706 -1.414 1.00 0.51 N ATOM 668 CA GLU A 36 9.176 8.398 -0.137 1.00 0.50 C ATOM 669 C GLU A 36 7.743 8.340 0.393 1.00 0.44 C ATOM 670 O GLU A 36 7.469 8.403 1.592 1.00 0.45 O ATOM 671 CB GLU A 36 9.630 9.844 -0.275 1.00 0.53 C ATOM 672 CG GLU A 36 11.010 9.962 -0.882 1.00 0.61 C ATOM 673 CD GLU A 36 11.562 11.368 -0.813 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.312 12.156 -1.747 1.00 0.66 O ATOM 675 OE2 GLU A 36 12.254 11.687 0.178 1.00 0.85 O ATOM 0 H GLU A 36 9.108 8.291 -2.230 1.00 0.51 H new ATOM 0 HA GLU A 36 9.824 7.893 0.579 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.917 10.388 -0.894 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.627 10.318 0.707 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.689 9.284 -0.364 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.973 9.642 -1.923 1.00 0.61 H new ATOM 682 N LEU A 37 6.849 8.181 -0.575 1.00 0.39 N ATOM 683 CA LEU A 37 5.438 7.955 -0.289 1.00 0.36 C ATOM 684 C LEU A 37 5.224 6.501 0.094 1.00 0.36 C ATOM 685 O LEU A 37 4.495 6.185 1.037 1.00 0.35 O ATOM 686 CB LEU A 37 4.605 8.320 -1.512 1.00 0.37 C ATOM 687 CG LEU A 37 4.782 9.759 -1.994 1.00 0.41 C ATOM 688 CD1 LEU A 37 4.209 9.928 -3.385 1.00 1.22 C ATOM 689 CD2 LEU A 37 4.121 10.729 -1.028 1.00 1.01 C ATOM 0 H LEU A 37 7.078 8.205 -1.569 1.00 0.39 H new ATOM 0 HA LEU A 37 5.125 8.583 0.545 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.863 7.643 -2.327 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.553 8.155 -1.281 1.00 0.37 H new ATOM 0 HG LEU A 37 5.849 9.980 -2.031 1.00 0.41 H new ATOM 0 HD11 LEU A 37 4.344 10.959 -3.711 1.00 1.22 H new ATOM 0 HD12 LEU A 37 4.724 9.259 -4.074 1.00 1.22 H new ATOM 0 HD13 LEU A 37 3.146 9.688 -3.372 1.00 1.22 H new ATOM 0 HD21 LEU A 37 4.257 11.749 -1.387 1.00 1.01 H new ATOM 0 HD22 LEU A 37 3.056 10.507 -0.961 1.00 1.01 H new ATOM 0 HD23 LEU A 37 4.576 10.628 -0.043 1.00 1.01 H new ATOM 701 N GLU A 38 5.911 5.631 -0.639 1.00 0.39 N ATOM 702 CA GLU A 38 5.992 4.209 -0.334 1.00 0.43 C ATOM 703 C GLU A 38 6.551 4.013 1.069 1.00 0.43 C ATOM 704 O GLU A 38 6.289 3.024 1.732 1.00 0.45 O ATOM 705 CB GLU A 38 6.917 3.533 -1.352 1.00 0.57 C ATOM 706 CG GLU A 38 7.124 2.045 -1.132 1.00 1.35 C ATOM 707 CD GLU A 38 8.426 1.555 -1.732 1.00 2.06 C ATOM 708 OE1 GLU A 38 8.566 1.565 -2.971 1.00 2.49 O ATOM 709 OE2 GLU A 38 9.325 1.157 -0.962 1.00 2.72 O ATOM 0 H GLU A 38 6.434 5.899 -1.473 1.00 0.39 H new ATOM 0 HA GLU A 38 4.997 3.767 -0.386 1.00 0.43 H new ATOM 0 HB2 GLU A 38 6.508 3.685 -2.351 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.887 4.029 -1.326 1.00 0.57 H new ATOM 0 HG2 GLU A 38 7.116 1.833 -0.063 1.00 1.35 H new ATOM 0 HG3 GLU A 38 6.293 1.495 -1.573 1.00 1.35 H new ATOM 716 N ALA A 39 7.284 5.008 1.523 1.00 0.43 N ATOM 717 CA ALA A 39 7.962 4.947 2.800 1.00 0.45 C ATOM 718 C ALA A 39 7.145 5.486 3.959 1.00 0.42 C ATOM 719 O ALA A 39 7.167 4.929 5.057 1.00 0.44 O ATOM 720 CB ALA A 39 9.286 5.684 2.716 1.00 0.49 C ATOM 0 H ALA A 39 7.426 5.882 1.017 1.00 0.43 H new ATOM 0 HA ALA A 39 8.123 3.889 3.008 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.792 5.635 3.680 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.912 5.221 1.954 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.106 6.727 2.454 1.00 0.49 H new ATOM 726 N LYS A 40 6.399 6.558 3.707 1.00 0.39 N ATOM 727 CA LYS A 40 5.596 7.171 4.737 1.00 0.37 C ATOM 728 C LYS A 40 4.418 6.263 5.073 1.00 0.31 C ATOM 729 O LYS A 40 4.106 6.050 6.242 1.00 0.31 O ATOM 730 CB LYS A 40 5.123 8.544 4.268 1.00 0.41 C ATOM 731 CG LYS A 40 4.670 9.456 5.396 1.00 0.79 C ATOM 732 CD LYS A 40 5.791 9.779 6.379 1.00 0.64 C ATOM 733 CE LYS A 40 6.866 10.670 5.765 1.00 0.74 C ATOM 734 NZ LYS A 40 7.925 9.889 5.066 1.00 1.34 N ATOM 0 H LYS A 40 6.340 7.013 2.796 1.00 0.39 H new ATOM 0 HA LYS A 40 6.190 7.307 5.641 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.932 9.030 3.723 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.300 8.414 3.566 1.00 0.41 H new ATOM 0 HG2 LYS A 40 4.284 10.384 4.974 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.847 8.983 5.932 1.00 0.79 H new ATOM 0 HD2 LYS A 40 5.371 10.273 7.255 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.246 8.851 6.724 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.402 11.359 5.059 1.00 0.74 H new ATOM 0 HE3 LYS A 40 7.323 11.275 6.548 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 8.857 10.295 5.285 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 7.894 8.900 5.385 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.764 9.927 4.039 1.00 1.34 H new ATOM 748 N ILE A 41 3.789 5.704 4.037 1.00 0.29 N ATOM 749 CA ILE A 41 2.689 4.775 4.221 1.00 0.26 C ATOM 750 C ILE A 41 3.141 3.520 4.949 1.00 0.27 C ATOM 751 O ILE A 41 2.476 3.067 5.873 1.00 0.27 O ATOM 752 CB ILE A 41 2.071 4.389 2.870 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.490 5.628 2.206 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.999 3.325 3.055 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.953 5.376 0.821 1.00 0.39 C ATOM 0 H ILE A 41 4.029 5.884 3.062 1.00 0.29 H new ATOM 0 HA ILE A 41 1.937 5.279 4.829 1.00 0.26 H new ATOM 0 HB ILE A 41 2.847 3.973 2.228 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.689 6.023 2.831 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.261 6.397 2.153 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.573 3.065 2.086 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.442 2.437 3.507 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.213 3.709 3.705 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.555 6.304 0.411 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.756 5.011 0.180 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.159 4.631 0.869 1.00 0.39 H new ATOM 767 N LEU A 42 4.277 2.965 4.543 1.00 0.31 N ATOM 768 CA LEU A 42 4.791 1.757 5.175 1.00 0.35 C ATOM 769 C LEU A 42 5.158 2.006 6.632 1.00 0.35 C ATOM 770 O LEU A 42 5.061 1.109 7.471 1.00 0.38 O ATOM 771 CB LEU A 42 6.021 1.221 4.437 1.00 0.39 C ATOM 772 CG LEU A 42 5.761 0.604 3.063 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.011 -0.094 2.558 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.588 -0.366 3.107 1.00 0.40 C ATOM 0 H LEU A 42 4.855 3.329 3.785 1.00 0.31 H new ATOM 0 HA LEU A 42 3.993 1.016 5.128 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.733 2.037 4.318 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.499 0.470 5.066 1.00 0.39 H new ATOM 0 HG LEU A 42 5.502 1.407 2.373 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.814 -0.530 1.579 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.823 0.628 2.477 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.294 -0.882 3.255 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.428 -0.788 2.115 1.00 0.40 H new ATOM 0 HD22 LEU A 42 4.805 -1.168 3.812 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.690 0.163 3.425 1.00 0.40 H new ATOM 786 N HIS A 43 5.582 3.228 6.928 1.00 0.35 N ATOM 787 CA HIS A 43 5.811 3.634 8.306 1.00 0.37 C ATOM 788 C HIS A 43 4.486 3.653 9.073 1.00 0.35 C ATOM 789 O HIS A 43 4.395 3.086 10.159 1.00 0.40 O ATOM 790 CB HIS A 43 6.488 5.010 8.364 1.00 0.40 C ATOM 791 CG HIS A 43 6.970 5.399 9.734 1.00 0.49 C ATOM 792 ND1 HIS A 43 8.307 5.463 10.073 1.00 1.17 N ATOM 793 CD2 HIS A 43 6.288 5.759 10.848 1.00 1.23 C ATOM 794 CE1 HIS A 43 8.423 5.841 11.332 1.00 0.93 C ATOM 795 NE2 HIS A 43 7.213 6.030 11.823 1.00 0.92 N ATOM 0 H HIS A 43 5.773 3.951 6.235 1.00 0.35 H new ATOM 0 HA HIS A 43 6.479 2.911 8.775 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.335 5.016 7.677 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.785 5.764 8.010 1.00 0.40 H new ATOM 0 HD2 HIS A 43 5.215 5.821 10.949 1.00 1.23 H new ATOM 0 HE1 HIS A 43 9.351 5.973 11.869 1.00 0.93 H new ATOM 0 HE2 HIS A 43 7.000 6.329 12.775 1.00 0.92 H new ATOM 804 N TYR A 44 3.459 4.295 8.503 1.00 0.30 N ATOM 805 CA TYR A 44 2.131 4.316 9.121 1.00 0.30 C ATOM 806 C TYR A 44 1.624 2.896 9.321 1.00 0.32 C ATOM 807 O TYR A 44 1.125 2.530 10.384 1.00 0.40 O ATOM 808 CB TYR A 44 1.131 5.068 8.236 1.00 0.31 C ATOM 809 CG TYR A 44 1.471 6.514 8.022 1.00 0.35 C ATOM 810 CD1 TYR A 44 1.984 7.272 9.056 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.284 7.123 6.786 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.299 8.595 8.879 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.597 8.454 6.594 1.00 0.50 C ATOM 814 CZ TYR A 44 2.107 9.186 7.647 1.00 0.58 C ATOM 815 OH TYR A 44 2.421 10.511 7.470 1.00 0.68 O ATOM 0 H TYR A 44 3.523 4.803 7.621 1.00 0.30 H new ATOM 0 HA TYR A 44 2.219 4.822 10.082 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.074 4.572 7.267 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.141 5.001 8.687 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.140 6.815 10.022 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.888 6.546 5.964 1.00 0.40 H new ATOM 0 HE1 TYR A 44 2.696 9.172 9.701 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.444 8.917 5.630 1.00 0.50 H new ATOM 0 HH TYR A 44 2.228 10.772 6.545 1.00 0.68 H new ATOM 825 N TYR A 45 1.781 2.114 8.267 1.00 0.30 N ATOM 826 CA TYR A 45 1.333 0.739 8.206 1.00 0.33 C ATOM 827 C TYR A 45 1.967 -0.118 9.298 1.00 0.40 C ATOM 828 O TYR A 45 1.281 -0.893 9.966 1.00 0.42 O ATOM 829 CB TYR A 45 1.683 0.194 6.822 1.00 0.35 C ATOM 830 CG TYR A 45 1.370 -1.255 6.621 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.064 -1.703 6.554 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.395 -2.172 6.481 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.213 -3.035 6.349 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.132 -3.502 6.281 1.00 0.54 C ATOM 835 CZ TYR A 45 0.827 -3.934 6.213 1.00 0.53 C ATOM 836 OH TYR A 45 0.565 -5.268 6.008 1.00 0.58 O ATOM 0 H TYR A 45 2.235 2.428 7.410 1.00 0.30 H new ATOM 0 HA TYR A 45 0.256 0.703 8.373 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.146 0.775 6.072 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.747 0.350 6.644 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.748 -1.000 6.664 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.420 -1.835 6.530 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.237 -3.375 6.295 1.00 0.46 H new ATOM 0 HE2 TYR A 45 2.944 -4.207 6.177 1.00 0.54 H new ATOM 0 HH TYR A 45 1.297 -5.670 5.495 1.00 0.58 H new ATOM 846 N ASP A 46 3.270 0.030 9.488 1.00 0.43 N ATOM 847 CA ASP A 46 3.990 -0.802 10.446 1.00 0.51 C ATOM 848 C ASP A 46 3.723 -0.352 11.879 1.00 0.53 C ATOM 849 O ASP A 46 3.916 -1.118 12.826 1.00 0.60 O ATOM 850 CB ASP A 46 5.491 -0.800 10.151 1.00 0.58 C ATOM 851 CG ASP A 46 6.275 -1.696 11.092 1.00 0.90 C ATOM 852 OD1 ASP A 46 5.954 -2.904 11.169 1.00 1.20 O ATOM 853 OD2 ASP A 46 7.221 -1.204 11.749 1.00 1.14 O ATOM 0 H ASP A 46 3.848 0.712 8.997 1.00 0.43 H new ATOM 0 HA ASP A 46 3.622 -1.822 10.340 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.656 -1.126 9.124 1.00 0.58 H new ATOM 0 HB3 ASP A 46 5.870 0.219 10.226 1.00 0.58 H new ATOM 858 N GLU A 47 3.248 0.878 12.043 1.00 0.49 N ATOM 859 CA GLU A 47 2.891 1.382 13.357 1.00 0.51 C ATOM 860 C GLU A 47 1.460 0.991 13.711 1.00 0.49 C ATOM 861 O GLU A 47 0.985 1.270 14.812 1.00 0.58 O ATOM 862 CB GLU A 47 3.038 2.899 13.395 1.00 0.53 C ATOM 863 CG GLU A 47 4.471 3.365 13.223 1.00 1.21 C ATOM 864 CD GLU A 47 5.383 2.825 14.303 1.00 1.73 C ATOM 865 OE1 GLU A 47 5.161 3.144 15.488 1.00 2.21 O ATOM 866 OE2 GLU A 47 6.327 2.082 13.972 1.00 2.22 O ATOM 0 H GLU A 47 3.103 1.541 11.281 1.00 0.49 H new ATOM 0 HA GLU A 47 3.565 0.939 14.090 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.423 3.337 12.608 1.00 0.53 H new ATOM 0 HB3 GLU A 47 2.653 3.271 14.344 1.00 0.53 H new ATOM 0 HG2 GLU A 47 4.839 3.048 12.247 1.00 1.21 H new ATOM 0 HG3 GLU A 47 4.501 4.455 13.236 1.00 1.21 H new ATOM 873 N LEU A 48 0.780 0.343 12.780 1.00 0.44 N ATOM 874 CA LEU A 48 -0.564 -0.112 13.001 1.00 0.46 C ATOM 875 C LEU A 48 -0.567 -1.418 13.752 1.00 0.69 C ATOM 876 O LEU A 48 0.374 -2.213 13.678 1.00 1.11 O ATOM 877 CB LEU A 48 -1.298 -0.301 11.686 1.00 0.37 C ATOM 878 CG LEU A 48 -1.684 0.972 10.955 1.00 0.36 C ATOM 879 CD1 LEU A 48 -2.294 0.610 9.630 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.668 1.782 11.773 1.00 0.47 C ATOM 0 H LEU A 48 1.151 0.123 11.856 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.073 0.650 13.591 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.672 -0.901 11.025 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.204 -0.877 11.877 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.792 1.578 10.799 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -2.574 1.519 9.098 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.570 0.051 9.037 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -3.180 -0.003 9.793 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.931 2.690 11.231 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.567 1.191 11.950 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -2.215 2.048 12.728 1.00 0.47 H new ATOM 892 N GLU A 49 -1.630 -1.610 14.474 1.00 0.61 N ATOM 893 CA GLU A 49 -1.807 -2.808 15.280 1.00 0.86 C ATOM 894 C GLU A 49 -3.265 -3.259 15.313 1.00 0.61 C ATOM 895 O GLU A 49 -4.176 -2.486 15.003 1.00 1.16 O ATOM 896 CB GLU A 49 -1.296 -2.543 16.692 1.00 1.42 C ATOM 897 CG GLU A 49 -1.884 -1.291 17.313 1.00 1.33 C ATOM 898 CD GLU A 49 -1.119 -0.829 18.530 1.00 2.01 C ATOM 899 OE1 GLU A 49 -0.113 -0.105 18.370 1.00 2.83 O ATOM 900 OE2 GLU A 49 -1.515 -1.194 19.654 1.00 2.19 O ATOM 0 H GLU A 49 -2.405 -0.949 14.529 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.233 -3.616 14.827 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -1.531 -3.400 17.324 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -0.210 -2.454 16.668 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -1.894 -0.493 16.571 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -2.921 -1.481 17.591 1.00 1.33 H new ATOM 907 N GLY A 50 -3.463 -4.527 15.667 1.00 0.74 N ATOM 908 CA GLY A 50 -4.797 -5.080 15.824 1.00 0.61 C ATOM 909 C GLY A 50 -5.634 -4.991 14.565 1.00 0.54 C ATOM 910 O GLY A 50 -5.140 -5.223 13.459 1.00 0.54 O ATOM 0 H GLY A 50 -2.710 -5.190 15.850 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -4.717 -6.124 16.126 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.308 -4.554 16.630 1.00 0.61 H new ATOM 914 N ASP A 51 -6.903 -4.641 14.739 1.00 0.54 N ATOM 915 CA ASP A 51 -7.843 -4.517 13.626 1.00 0.52 C ATOM 916 C ASP A 51 -7.366 -3.483 12.629 1.00 0.46 C ATOM 917 O ASP A 51 -7.510 -3.688 11.430 1.00 0.46 O ATOM 918 CB ASP A 51 -9.236 -4.138 14.130 1.00 0.58 C ATOM 919 CG ASP A 51 -9.957 -5.291 14.790 1.00 1.53 C ATOM 920 OD1 ASP A 51 -9.643 -5.611 15.957 1.00 2.37 O ATOM 921 OD2 ASP A 51 -10.844 -5.885 14.145 1.00 2.06 O ATOM 0 H ASP A 51 -7.310 -4.435 15.651 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.897 -5.487 13.131 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.148 -3.316 14.841 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.833 -3.774 13.294 1.00 0.58 H new ATOM 926 N ALA A 52 -6.790 -2.389 13.105 1.00 0.43 N ATOM 927 CA ALA A 52 -6.369 -1.323 12.205 1.00 0.41 C ATOM 928 C ALA A 52 -5.358 -1.856 11.207 1.00 0.40 C ATOM 929 O ALA A 52 -5.472 -1.631 10.003 1.00 0.40 O ATOM 930 CB ALA A 52 -5.808 -0.147 12.966 1.00 0.42 C ATOM 0 H ALA A 52 -6.605 -2.216 14.093 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.245 -0.968 11.662 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.504 0.629 12.264 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.570 0.249 13.637 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.944 -0.469 13.548 1.00 0.42 H new ATOM 936 N LYS A 53 -4.359 -2.562 11.732 1.00 0.40 N ATOM 937 CA LYS A 53 -3.306 -3.139 10.915 1.00 0.41 C ATOM 938 C LYS A 53 -3.914 -4.090 9.900 1.00 0.41 C ATOM 939 O LYS A 53 -3.675 -3.955 8.705 1.00 0.40 O ATOM 940 CB LYS A 53 -2.287 -3.873 11.798 1.00 0.47 C ATOM 941 CG LYS A 53 -0.870 -3.924 11.229 1.00 0.52 C ATOM 942 CD LYS A 53 -0.704 -4.970 10.141 1.00 0.94 C ATOM 943 CE LYS A 53 0.714 -4.961 9.583 1.00 0.83 C ATOM 944 NZ LYS A 53 0.951 -6.075 8.628 1.00 1.62 N ATOM 0 H LYS A 53 -4.261 -2.747 12.730 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.785 -2.341 10.386 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.255 -3.387 12.773 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.636 -4.893 11.961 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.611 -2.945 10.826 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.168 -4.133 12.036 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.934 -5.957 10.543 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -1.416 -4.780 9.338 1.00 0.94 H new ATOM 0 HE2 LYS A 53 0.899 -4.011 9.082 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.426 -5.032 10.405 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 1.920 -6.434 8.747 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 0.273 -6.841 8.813 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 0.826 -5.730 7.655 1.00 1.62 H new ATOM 958 N LYS A 54 -4.707 -5.039 10.389 1.00 0.44 N ATOM 959 CA LYS A 54 -5.386 -5.998 9.526 1.00 0.47 C ATOM 960 C LYS A 54 -6.194 -5.279 8.442 1.00 0.44 C ATOM 961 O LYS A 54 -6.125 -5.643 7.266 1.00 0.46 O ATOM 962 CB LYS A 54 -6.281 -6.929 10.351 1.00 0.52 C ATOM 963 CG LYS A 54 -7.765 -6.781 10.078 1.00 0.99 C ATOM 964 CD LYS A 54 -8.518 -8.020 10.494 1.00 0.97 C ATOM 965 CE LYS A 54 -9.992 -7.928 10.126 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.200 -7.835 8.654 1.00 2.49 N ATOM 0 H LYS A 54 -4.895 -5.164 11.384 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.629 -6.607 9.031 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -5.990 -7.961 10.154 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.099 -6.743 11.409 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.153 -5.917 10.618 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -7.926 -6.593 9.017 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.076 -8.893 10.014 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.419 -8.163 11.570 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.516 -8.803 10.511 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.432 -7.055 10.609 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.201 -8.012 8.433 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -9.936 -6.884 8.325 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -9.609 -8.544 8.174 1.00 2.49 H new ATOM 980 N GLU A 55 -6.943 -4.250 8.841 1.00 0.42 N ATOM 981 CA GLU A 55 -7.794 -3.514 7.931 1.00 0.41 C ATOM 982 C GLU A 55 -6.962 -2.756 6.916 1.00 0.39 C ATOM 983 O GLU A 55 -7.240 -2.822 5.722 1.00 0.41 O ATOM 984 CB GLU A 55 -8.686 -2.554 8.717 1.00 0.42 C ATOM 985 CG GLU A 55 -9.855 -3.234 9.401 1.00 0.89 C ATOM 986 CD GLU A 55 -10.784 -2.250 10.077 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.334 -1.370 9.383 1.00 1.34 O ATOM 988 OE2 GLU A 55 -10.977 -2.353 11.311 1.00 2.27 O ATOM 0 H GLU A 55 -6.971 -3.911 9.803 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.425 -4.220 7.391 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.083 -2.044 9.468 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -9.067 -1.789 8.040 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -10.416 -3.812 8.666 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -9.478 -3.940 10.141 1.00 0.89 H new ATOM 995 N ALA A 56 -5.953 -2.038 7.365 1.00 0.36 N ATOM 996 CA ALA A 56 -5.103 -1.333 6.432 1.00 0.34 C ATOM 997 C ALA A 56 -4.463 -2.331 5.480 1.00 0.36 C ATOM 998 O ALA A 56 -4.521 -2.165 4.268 1.00 0.37 O ATOM 999 CB ALA A 56 -4.055 -0.516 7.161 1.00 0.31 C ATOM 0 H ALA A 56 -5.706 -1.929 8.349 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.708 -0.634 5.854 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.429 0.004 6.435 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.546 0.213 7.806 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.435 -1.177 7.767 1.00 0.31 H new ATOM 1005 N THR A 57 -3.875 -3.372 6.049 1.00 0.38 N ATOM 1006 CA THR A 57 -3.256 -4.437 5.276 1.00 0.41 C ATOM 1007 C THR A 57 -4.142 -4.939 4.135 1.00 0.44 C ATOM 1008 O THR A 57 -3.720 -5.005 2.987 1.00 0.45 O ATOM 1009 CB THR A 57 -2.907 -5.642 6.173 1.00 0.45 C ATOM 1010 OG1 THR A 57 -2.015 -5.246 7.216 1.00 0.43 O ATOM 1011 CG2 THR A 57 -2.280 -6.757 5.357 1.00 0.51 C ATOM 0 H THR A 57 -3.814 -3.502 7.059 1.00 0.38 H new ATOM 0 HA THR A 57 -2.353 -3.999 4.850 1.00 0.41 H new ATOM 0 HB THR A 57 -3.832 -6.011 6.617 1.00 0.45 H new ATOM 0 HG1 THR A 57 -1.174 -4.929 6.825 1.00 0.43 H new ATOM 0 HG21 THR A 57 -2.042 -7.596 6.010 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.980 -7.083 4.588 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.367 -6.394 4.886 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.391 -5.247 4.480 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.356 -5.756 3.514 1.00 0.49 C ATOM 1021 C GLU A 58 -6.782 -4.666 2.526 1.00 0.48 C ATOM 1022 O GLU A 58 -7.218 -4.966 1.414 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.563 -6.361 4.227 1.00 0.52 C ATOM 1024 CG GLU A 58 -8.502 -5.350 4.815 1.00 0.78 C ATOM 1025 CD GLU A 58 -9.661 -5.999 5.540 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -10.520 -6.620 4.880 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -9.729 -5.877 6.782 1.00 1.71 O ATOM 0 H GLU A 58 -5.757 -5.151 5.427 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.873 -6.546 2.938 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -8.113 -6.983 3.521 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -7.209 -7.017 5.022 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.956 -4.709 5.507 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -8.886 -4.708 4.022 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.638 -3.405 2.917 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.948 -2.301 2.017 1.00 0.43 C ATOM 1036 C HIS A 59 -5.816 -2.127 1.020 1.00 0.42 C ATOM 1037 O HIS A 59 -6.050 -2.005 -0.186 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.181 -0.995 2.779 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.495 -0.926 3.495 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.686 -1.344 2.935 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.804 -0.487 4.738 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.663 -1.165 3.804 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -10.155 -0.649 4.904 1.00 0.57 N ATOM 0 H HIS A 59 -6.312 -3.123 3.842 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.872 -2.543 1.491 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.378 -0.863 3.504 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.118 -0.163 2.078 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.114 -0.084 5.464 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.704 -1.402 3.641 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.682 -0.409 5.744 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.588 -2.099 1.531 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.410 -2.100 0.698 1.00 0.40 C ATOM 1054 C LEU A 60 -3.345 -3.353 -0.168 1.00 0.43 C ATOM 1055 O LEU A 60 -2.826 -3.307 -1.281 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.152 -1.977 1.551 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.871 -0.561 2.032 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.894 -0.101 3.035 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.458 -0.433 2.583 1.00 0.59 C ATOM 0 H LEU A 60 -4.392 -2.075 2.532 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.470 -1.237 0.035 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.246 -2.633 2.417 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.297 -2.331 0.974 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.949 0.096 1.166 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.659 0.914 3.355 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.884 -0.118 2.579 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.881 -0.765 3.899 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.289 0.590 2.918 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.332 -1.115 3.424 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.261 -0.682 1.802 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.870 -4.468 0.342 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.950 -5.693 -0.444 1.00 0.50 C ATOM 1073 C LYS A 61 -4.800 -5.458 -1.673 1.00 0.53 C ATOM 1074 O LYS A 61 -4.348 -5.682 -2.786 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.530 -6.852 0.374 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.521 -7.535 1.281 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.174 -8.628 2.114 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.154 -9.417 2.918 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.804 -10.381 3.845 1.00 0.67 N ATOM 0 H LYS A 61 -4.243 -4.545 1.288 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.938 -5.967 -0.742 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.354 -6.478 0.982 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.948 -7.592 -0.309 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.720 -7.964 0.679 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.064 -6.797 1.940 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -4.902 -8.182 2.791 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.721 -9.305 1.458 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.494 -9.956 2.238 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.531 -8.729 3.489 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.074 -10.899 4.375 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.414 -9.865 4.511 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.379 -11.054 3.299 1.00 0.67 H new ATOM 1093 N GLY A 62 -6.036 -5.013 -1.469 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.899 -4.663 -2.579 1.00 0.56 C ATOM 1095 C GLY A 62 -6.283 -3.600 -3.473 1.00 0.55 C ATOM 1096 O GLY A 62 -6.445 -3.639 -4.694 1.00 0.59 O ATOM 0 H GLY A 62 -6.456 -4.889 -0.548 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.108 -5.555 -3.169 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.854 -4.304 -2.195 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.591 -2.642 -2.864 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.866 -1.638 -3.624 1.00 0.49 C ATOM 1102 C GLY A 63 -3.830 -2.245 -4.541 1.00 0.49 C ATOM 1103 O GLY A 63 -3.839 -2.005 -5.748 1.00 0.50 O ATOM 0 H GLY A 63 -5.519 -2.543 -1.851 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.572 -1.054 -4.214 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.378 -0.948 -2.936 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.944 -3.048 -3.972 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.919 -3.720 -4.749 1.00 0.55 C ATOM 1109 C CYS A 64 -2.554 -4.763 -5.664 1.00 0.56 C ATOM 1110 O CYS A 64 -1.988 -5.138 -6.688 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.887 -4.376 -3.837 1.00 0.68 C ATOM 1112 SG CYS A 64 0.460 -5.198 -4.742 1.00 1.13 S ATOM 0 H CYS A 64 -2.916 -3.249 -2.972 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.409 -2.975 -5.360 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.462 -3.619 -3.178 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.387 -5.107 -3.202 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.732 -5.230 -5.283 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.505 -6.123 -6.123 1.00 0.67 C ATOM 1119 C ARG A 65 -4.845 -5.424 -7.426 1.00 0.65 C ATOM 1120 O ARG A 65 -4.732 -6.014 -8.487 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.780 -6.571 -5.411 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.633 -7.529 -6.222 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.891 -7.912 -5.467 1.00 1.49 C ATOM 1124 NE ARG A 65 -7.589 -8.593 -4.211 1.00 2.07 N ATOM 1125 CZ ARG A 65 -8.516 -9.034 -3.360 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -9.809 -8.861 -3.625 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -8.154 -9.650 -2.242 1.00 3.80 N ATOM 0 H ARG A 65 -4.173 -5.002 -4.392 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.910 -7.011 -6.335 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.510 -7.049 -4.469 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.374 -5.691 -5.163 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -6.902 -7.067 -7.172 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -6.058 -8.425 -6.455 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -8.478 -7.016 -5.262 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -8.506 -8.560 -6.092 1.00 1.49 H new ATOM 0 HE ARG A 65 -6.609 -8.740 -3.970 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -10.095 -8.389 -4.483 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -10.514 -9.200 -2.970 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -7.165 -9.787 -2.032 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -8.865 -9.987 -1.592 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.238 -4.155 -7.343 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.498 -3.365 -8.539 1.00 0.55 C ATOM 1143 C GLU A 66 -4.202 -3.149 -9.313 1.00 0.48 C ATOM 1144 O GLU A 66 -4.204 -3.075 -10.541 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.138 -2.017 -8.194 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.478 -2.142 -7.486 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.236 -0.829 -7.428 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -7.633 0.192 -7.037 1.00 2.02 O ATOM 1149 OE2 GLU A 66 -9.433 -0.806 -7.781 1.00 1.61 O ATOM 0 H GLU A 66 -5.382 -3.656 -6.465 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.202 -3.918 -9.160 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.454 -1.451 -7.562 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.273 -1.443 -9.111 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -8.087 -2.886 -7.999 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.316 -2.508 -6.472 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.093 -3.056 -8.582 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.773 -2.991 -9.199 1.00 0.47 C ATOM 1158 C ILE A 67 -1.521 -4.259 -10.004 1.00 0.45 C ATOM 1159 O ILE A 67 -1.217 -4.199 -11.192 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.642 -2.855 -8.152 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -0.885 -1.658 -7.225 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.714 -2.733 -8.838 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -0.871 -0.320 -7.917 1.00 0.81 C ATOM 0 H ILE A 67 -3.084 -3.024 -7.563 1.00 0.47 H new ATOM 0 HA ILE A 67 -1.763 -2.108 -9.838 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.642 -3.758 -7.542 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.848 -1.787 -6.730 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -0.123 -1.658 -6.445 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.496 -2.638 -8.084 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.898 -3.622 -9.442 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.719 -1.851 -9.479 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -1.051 0.469 -7.187 1.00 0.81 H new ATOM 0 HD12 ILE A 67 0.100 -0.164 -8.388 1.00 0.81 H new ATOM 0 HD13 ILE A 67 -1.652 -0.295 -8.677 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.674 -5.402 -9.347 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.427 -6.703 -9.961 1.00 0.80 C ATOM 1177 C LEU A 68 -2.457 -6.988 -11.053 1.00 0.82 C ATOM 1178 O LEU A 68 -2.153 -7.619 -12.064 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.462 -7.791 -8.888 1.00 1.12 C ATOM 1180 CG LEU A 68 -0.839 -9.123 -9.296 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.613 -8.920 -9.703 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -0.941 -10.124 -8.155 1.00 1.71 C ATOM 0 H LEU A 68 -1.973 -5.454 -8.373 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.441 -6.695 -10.425 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -0.945 -7.422 -8.002 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.500 -7.965 -8.603 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.385 -9.520 -10.151 1.00 1.34 H new ATOM 0 HD11 LEU A 68 1.047 -9.877 -9.992 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.662 -8.230 -10.546 1.00 1.58 H new ATOM 0 HD13 LEU A 68 1.172 -8.507 -8.863 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -0.493 -11.070 -8.460 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.414 -9.737 -7.283 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -1.990 -10.284 -7.904 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.649 -6.455 -10.842 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.694 -6.544 -11.861 1.00 1.24 C ATOM 1196 C LYS A 69 -4.301 -5.755 -13.097 1.00 1.20 C ATOM 1197 O LYS A 69 -4.891 -5.909 -14.164 1.00 1.61 O ATOM 1198 CB LYS A 69 -6.056 -6.083 -11.340 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.733 -7.103 -10.434 1.00 1.43 C ATOM 1200 CD LYS A 69 -8.179 -6.733 -10.140 1.00 1.50 C ATOM 1201 CE LYS A 69 -9.011 -6.699 -11.411 1.00 1.68 C ATOM 1202 NZ LYS A 69 -10.460 -6.536 -11.127 1.00 2.22 N ATOM 0 H LYS A 69 -3.919 -5.963 -9.991 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.793 -7.596 -12.127 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.930 -5.149 -10.793 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.708 -5.871 -12.187 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.699 -8.085 -10.905 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -6.181 -7.179 -9.497 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.606 -7.454 -9.443 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -8.215 -5.758 -9.653 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -8.672 -5.879 -12.044 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -8.853 -7.620 -11.972 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -10.989 -6.518 -12.022 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -10.791 -7.332 -10.545 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -10.615 -5.644 -10.615 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.286 -4.924 -12.945 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.769 -4.145 -14.043 1.00 1.16 C ATOM 1218 C HIS A 70 -1.496 -4.790 -14.583 1.00 0.91 C ATOM 1219 O HIS A 70 -1.404 -5.154 -15.752 1.00 0.89 O ATOM 1220 CB HIS A 70 -2.503 -2.705 -13.602 1.00 1.41 C ATOM 1221 CG HIS A 70 -2.018 -1.830 -14.709 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -2.789 -0.849 -15.289 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -0.826 -1.798 -15.343 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -2.096 -0.250 -16.233 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -0.902 -0.805 -16.286 1.00 1.74 N ATOM 0 H HIS A 70 -2.802 -4.774 -12.060 1.00 1.05 H new ATOM 0 HA HIS A 70 -3.513 -4.121 -14.839 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -3.420 -2.283 -13.190 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.765 -2.708 -12.800 1.00 1.41 H new ATOM 0 HD2 HIS A 70 0.025 -2.433 -15.145 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -2.446 0.558 -16.858 1.00 1.76 H new ATOM 0 HE2 HIS A 70 -0.154 -0.539 -16.926 1.00 1.74 H new ATOM 1234 N VAL A 71 -0.509 -4.908 -13.689 1.00 0.76 N ATOM 1235 CA VAL A 71 0.835 -5.305 -14.042 1.00 0.69 C ATOM 1236 C VAL A 71 0.910 -6.740 -14.555 1.00 0.52 C ATOM 1237 O VAL A 71 1.517 -6.999 -15.594 1.00 0.59 O ATOM 1238 CB VAL A 71 1.797 -5.083 -12.850 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.317 -5.743 -11.601 1.00 1.01 C ATOM 1240 CG2 VAL A 71 3.184 -5.540 -13.179 1.00 1.46 C ATOM 0 H VAL A 71 -0.634 -4.726 -12.693 1.00 0.76 H new ATOM 0 HA VAL A 71 1.151 -4.668 -14.868 1.00 0.69 H new ATOM 0 HB VAL A 71 1.817 -4.009 -12.666 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.027 -5.557 -10.795 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.343 -5.338 -11.327 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.230 -6.817 -11.767 1.00 1.01 H new ATOM 0 HG21 VAL A 71 3.836 -5.371 -12.322 1.00 1.46 H new ATOM 0 HG22 VAL A 71 3.169 -6.603 -13.419 1.00 1.46 H new ATOM 0 HG23 VAL A 71 3.558 -4.979 -14.036 1.00 1.46 H new ATOM 1250 N VAL A 72 0.289 -7.670 -13.849 1.00 0.44 N ATOM 1251 CA VAL A 72 0.290 -9.052 -14.279 1.00 0.46 C ATOM 1252 C VAL A 72 -0.964 -9.340 -15.103 1.00 0.47 C ATOM 1253 O VAL A 72 -1.015 -10.296 -15.880 1.00 0.64 O ATOM 1254 CB VAL A 72 0.369 -10.019 -13.078 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -1.009 -10.443 -12.593 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.238 -11.204 -13.420 1.00 0.80 C ATOM 0 H VAL A 72 -0.218 -7.492 -12.982 1.00 0.44 H new ATOM 0 HA VAL A 72 1.175 -9.213 -14.895 1.00 0.46 H new ATOM 0 HB VAL A 72 0.831 -9.488 -12.246 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -0.904 -11.123 -11.747 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.572 -9.563 -12.283 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.540 -10.948 -13.400 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.286 -11.879 -12.565 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.815 -11.731 -14.275 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.242 -10.860 -13.667 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.975 -8.500 -14.917 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.211 -8.655 -15.639 1.00 0.48 C ATOM 1268 C GLY A 73 -4.237 -9.423 -14.840 1.00 0.50 C ATOM 1269 O GLY A 73 -3.944 -9.928 -13.753 1.00 0.55 O ATOM 0 H GLY A 73 -1.954 -7.710 -14.272 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.609 -7.672 -15.892 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -3.020 -9.173 -16.579 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.438 -9.518 -15.380 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.508 -10.257 -14.736 1.00 0.58 C ATOM 1275 C GLU A 74 -6.161 -11.742 -14.695 1.00 0.53 C ATOM 1276 O GLU A 74 -6.441 -12.421 -13.711 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.826 -10.035 -15.479 1.00 0.69 C ATOM 1278 CG GLU A 74 -9.014 -10.722 -14.830 1.00 1.45 C ATOM 1279 CD GLU A 74 -10.303 -10.493 -15.587 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -10.562 -11.224 -16.566 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -11.066 -9.580 -15.209 1.00 2.10 O ATOM 0 H GLU A 74 -5.698 -9.090 -16.269 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.625 -9.896 -13.714 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -8.024 -8.965 -15.538 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -7.722 -10.397 -16.502 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -8.820 -11.793 -14.766 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -9.127 -10.357 -13.809 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.528 -12.212 -15.769 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.091 -13.604 -15.906 1.00 0.55 C ATOM 1290 C GLU A 75 -4.439 -14.148 -14.642 1.00 0.53 C ATOM 1291 O GLU A 75 -4.981 -15.036 -13.982 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.087 -13.707 -17.055 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.435 -15.074 -17.166 1.00 0.95 C ATOM 1294 CD GLU A 75 -2.233 -15.077 -18.078 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -2.406 -14.906 -19.304 1.00 1.31 O ATOM 1296 OE2 GLU A 75 -1.107 -15.257 -17.569 1.00 2.00 O ATOM 0 H GLU A 75 -5.301 -11.633 -16.577 1.00 0.54 H new ATOM 0 HA GLU A 75 -5.983 -14.200 -16.101 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.594 -13.477 -17.992 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.312 -12.953 -16.919 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.133 -15.409 -16.174 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.167 -15.792 -17.536 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.277 -13.607 -14.306 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.458 -14.180 -13.262 1.00 0.51 C ATOM 1305 C LYS A 76 -3.036 -13.912 -11.891 1.00 0.55 C ATOM 1306 O LYS A 76 -3.048 -14.795 -11.043 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.038 -13.654 -13.360 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.234 -14.260 -14.497 1.00 1.16 C ATOM 1309 CD LYS A 76 0.498 -15.522 -14.057 1.00 1.43 C ATOM 1310 CE LYS A 76 -0.343 -16.773 -14.187 1.00 0.71 C ATOM 1311 NZ LYS A 76 -0.651 -17.095 -15.607 1.00 1.13 N ATOM 0 H LYS A 76 -2.885 -12.773 -14.744 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.443 -15.261 -13.403 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.070 -12.572 -13.487 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -0.523 -13.849 -12.419 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -0.899 -14.496 -15.328 1.00 1.16 H new ATOM 0 HG3 LYS A 76 0.487 -13.529 -14.863 1.00 1.16 H new ATOM 0 HD2 LYS A 76 1.403 -15.636 -14.654 1.00 1.43 H new ATOM 0 HD3 LYS A 76 0.812 -15.409 -13.019 1.00 1.43 H new ATOM 0 HE2 LYS A 76 0.183 -17.612 -13.731 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -1.274 -16.643 -13.635 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 -1.584 -17.552 -15.665 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -0.659 -16.219 -16.168 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 0.074 -17.740 -15.982 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.542 -12.706 -11.683 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.132 -12.346 -10.407 1.00 0.64 C ATOM 1327 C ALA A 77 -5.349 -13.223 -10.125 1.00 0.65 C ATOM 1328 O ALA A 77 -5.690 -13.479 -8.973 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.506 -10.871 -10.388 1.00 0.68 C ATOM 0 H ALA A 77 -3.555 -11.963 -12.381 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.397 -12.515 -9.620 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -4.947 -10.620 -9.423 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.613 -10.267 -10.547 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.227 -10.668 -11.180 1.00 0.68 H new ATOM 1335 N ALA A 78 -5.982 -13.700 -11.194 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.100 -14.621 -11.082 1.00 0.67 C ATOM 1337 C ALA A 78 -6.606 -16.000 -10.664 1.00 0.67 C ATOM 1338 O ALA A 78 -7.251 -16.696 -9.879 1.00 0.73 O ATOM 1339 CB ALA A 78 -7.841 -14.701 -12.409 1.00 0.66 C ATOM 0 H ALA A 78 -5.734 -13.459 -12.153 1.00 0.63 H new ATOM 0 HA ALA A 78 -7.787 -14.255 -10.319 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.678 -15.393 -12.317 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.215 -13.713 -12.677 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.161 -15.054 -13.185 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.449 -16.385 -11.187 1.00 0.62 N ATOM 1346 CA GLU A 79 -4.860 -17.678 -10.865 1.00 0.65 C ATOM 1347 C GLU A 79 -4.257 -17.655 -9.467 1.00 0.66 C ATOM 1348 O GLU A 79 -4.179 -18.682 -8.805 1.00 0.67 O ATOM 1349 CB GLU A 79 -3.799 -18.068 -11.898 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.332 -18.049 -13.318 1.00 0.85 C ATOM 1351 CD GLU A 79 -3.590 -18.983 -14.253 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -3.772 -20.214 -14.144 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -2.810 -18.493 -15.093 1.00 1.26 O ATOM 0 H GLU A 79 -4.900 -15.821 -11.836 1.00 0.62 H new ATOM 0 HA GLU A 79 -5.651 -18.427 -10.891 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -2.954 -17.383 -11.822 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -3.423 -19.065 -11.668 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -5.387 -18.322 -13.306 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.270 -17.033 -13.708 1.00 0.85 H new ATOM 1360 N LEU A 80 -3.857 -16.469 -9.024 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.332 -16.281 -7.683 1.00 0.70 C ATOM 1362 C LEU A 80 -4.467 -16.169 -6.671 1.00 0.74 C ATOM 1363 O LEU A 80 -4.358 -16.658 -5.547 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.449 -15.040 -7.670 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.301 -15.103 -8.675 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.639 -13.751 -8.828 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.294 -16.156 -8.257 1.00 0.98 C ATOM 0 H LEU A 80 -3.888 -15.617 -9.583 1.00 0.66 H new ATOM 0 HA LEU A 80 -2.733 -17.145 -7.397 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.062 -14.165 -7.884 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.039 -14.905 -6.669 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.709 -15.383 -9.646 1.00 0.66 H new ATOM 0 HD11 LEU A 80 0.175 -13.824 -9.549 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.372 -13.025 -9.180 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.243 -13.429 -7.865 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.519 -16.190 -8.982 1.00 0.98 H new ATOM 0 HD22 LEU A 80 0.107 -15.907 -7.274 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -0.782 -17.129 -8.213 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.559 -15.531 -7.081 1.00 0.74 N ATOM 1380 CA LYS A 81 -6.775 -15.497 -6.280 1.00 0.79 C ATOM 1381 C LYS A 81 -7.264 -16.918 -6.026 1.00 0.77 C ATOM 1382 O LYS A 81 -7.482 -17.319 -4.884 1.00 0.79 O ATOM 1383 CB LYS A 81 -7.857 -14.669 -6.994 1.00 0.83 C ATOM 1384 CG LYS A 81 -9.291 -15.039 -6.623 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.616 -14.753 -5.163 1.00 1.34 C ATOM 1386 CE LYS A 81 -9.769 -13.269 -4.892 1.00 1.68 C ATOM 1387 NZ LYS A 81 -10.318 -13.010 -3.536 1.00 2.12 N ATOM 0 H LYS A 81 -5.625 -15.029 -7.967 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.561 -15.025 -5.321 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.698 -13.615 -6.767 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -7.733 -14.785 -8.071 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -9.981 -14.484 -7.259 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -9.452 -16.098 -6.826 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -10.537 -15.268 -4.890 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -8.826 -15.157 -4.530 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -8.800 -12.779 -4.992 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -10.427 -12.829 -5.641 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -10.408 -11.985 -3.388 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -11.254 -13.456 -3.449 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -9.677 -13.408 -2.820 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.412 -17.681 -7.100 1.00 0.75 N ATOM 1402 CA ASN A 82 -7.876 -19.056 -6.994 1.00 0.75 C ATOM 1403 C ASN A 82 -6.834 -19.902 -6.273 1.00 0.74 C ATOM 1404 O ASN A 82 -7.184 -20.860 -5.584 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.167 -19.626 -8.380 1.00 0.73 C ATOM 1406 CG ASN A 82 -8.854 -20.975 -8.330 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -8.203 -22.016 -8.285 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -10.176 -20.962 -8.352 1.00 1.54 N ATOM 0 H ASN A 82 -7.218 -17.372 -8.052 1.00 0.75 H new ATOM 0 HA ASN A 82 -8.800 -19.075 -6.416 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -8.794 -18.925 -8.931 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.232 -19.720 -8.932 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -10.695 -21.840 -8.331 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -10.677 -20.074 -8.389 1.00 1.54 H new ATOM 1415 N LEU A 83 -5.563 -19.544 -6.415 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.509 -20.255 -5.727 1.00 0.72 C ATOM 1417 C LEU A 83 -4.695 -20.112 -4.225 1.00 0.74 C ATOM 1418 O LEU A 83 -4.618 -21.089 -3.485 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.150 -19.714 -6.164 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.357 -20.615 -7.115 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -1.202 -19.847 -7.736 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -1.838 -21.844 -6.383 1.00 1.37 C ATOM 0 H LEU A 83 -5.246 -18.770 -6.998 1.00 0.72 H new ATOM 0 HA LEU A 83 -4.553 -21.314 -5.981 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.301 -18.749 -6.647 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -2.547 -19.534 -5.274 1.00 0.75 H new ATOM 0 HG LEU A 83 -3.026 -20.943 -7.910 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.649 -20.502 -8.409 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -1.590 -18.996 -8.296 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -0.537 -19.491 -6.949 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -1.277 -22.471 -7.077 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -1.186 -21.533 -5.567 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -2.678 -22.410 -5.981 1.00 1.37 H new ATOM 1434 N LYS A 84 -4.998 -18.893 -3.797 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.206 -18.592 -2.387 1.00 0.81 C ATOM 1436 C LYS A 84 -6.325 -19.456 -1.803 1.00 0.83 C ATOM 1437 O LYS A 84 -6.113 -20.177 -0.828 1.00 0.87 O ATOM 1438 CB LYS A 84 -5.536 -17.105 -2.217 1.00 0.88 C ATOM 1439 CG LYS A 84 -5.889 -16.705 -0.793 1.00 0.96 C ATOM 1440 CD LYS A 84 -6.181 -15.217 -0.697 1.00 1.19 C ATOM 1441 CE LYS A 84 -6.715 -14.836 0.675 1.00 1.54 C ATOM 1442 NZ LYS A 84 -5.761 -15.170 1.765 1.00 2.27 N ATOM 0 H LYS A 84 -5.106 -18.089 -4.415 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.288 -18.819 -1.845 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -4.682 -16.514 -2.547 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -6.370 -16.852 -2.871 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -6.758 -17.271 -0.458 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -5.066 -16.961 -0.126 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -5.271 -14.654 -0.903 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -6.908 -14.939 -1.460 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -6.927 -13.767 0.696 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -7.659 -15.352 0.851 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -6.122 -14.801 2.668 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -5.656 -16.203 1.830 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -4.836 -14.740 1.561 1.00 2.27 H new ATOM 1456 N ASP A 85 -7.505 -19.400 -2.415 1.00 0.84 N ATOM 1457 CA ASP A 85 -8.663 -20.154 -1.927 1.00 0.91 C ATOM 1458 C ASP A 85 -8.487 -21.659 -2.107 1.00 0.90 C ATOM 1459 O ASP A 85 -9.100 -22.444 -1.385 1.00 0.94 O ATOM 1460 CB ASP A 85 -9.944 -19.697 -2.627 1.00 0.98 C ATOM 1461 CG ASP A 85 -10.466 -18.381 -2.089 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -11.192 -18.394 -1.075 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -10.142 -17.325 -2.673 1.00 2.52 O ATOM 0 H ASP A 85 -7.687 -18.842 -3.249 1.00 0.84 H new ATOM 0 HA ASP A 85 -8.743 -19.951 -0.859 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -9.754 -19.598 -3.696 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -10.711 -20.463 -2.509 1.00 0.98 H new ATOM 1468 N SER A 86 -7.644 -22.066 -3.049 1.00 0.86 N ATOM 1469 CA SER A 86 -7.404 -23.485 -3.274 1.00 0.90 C ATOM 1470 C SER A 86 -6.404 -24.024 -2.257 1.00 0.84 C ATOM 1471 O SER A 86 -6.197 -25.233 -2.146 1.00 0.96 O ATOM 1472 CB SER A 86 -6.894 -23.731 -4.697 1.00 0.97 C ATOM 1473 OG SER A 86 -6.914 -25.112 -5.020 1.00 1.52 O ATOM 0 H SER A 86 -7.121 -21.441 -3.663 1.00 0.86 H new ATOM 0 HA SER A 86 -8.350 -24.013 -3.150 1.00 0.90 H new ATOM 0 HB2 SER A 86 -7.511 -23.180 -5.407 1.00 0.97 H new ATOM 0 HB3 SER A 86 -5.878 -23.348 -4.793 1.00 0.97 H new ATOM 0 HG SER A 86 -6.677 -25.637 -4.227 1.00 1.52 H new ATOM 1479 N GLY A 87 -5.777 -23.115 -1.524 1.00 0.80 N ATOM 1480 CA GLY A 87 -4.885 -23.516 -0.461 1.00 0.88 C ATOM 1481 C GLY A 87 -3.429 -23.296 -0.800 1.00 0.82 C ATOM 1482 O GLY A 87 -2.571 -24.077 -0.390 1.00 0.92 O ATOM 0 H GLY A 87 -5.872 -22.107 -1.648 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -5.131 -22.958 0.442 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -5.045 -24.571 -0.238 1.00 0.88 H new ATOM 1486 N ALA A 88 -3.139 -22.248 -1.557 1.00 0.76 N ATOM 1487 CA ALA A 88 -1.759 -21.847 -1.756 1.00 0.76 C ATOM 1488 C ALA A 88 -1.286 -21.175 -0.488 1.00 0.80 C ATOM 1489 O ALA A 88 -1.885 -20.213 0.001 1.00 0.83 O ATOM 1490 CB ALA A 88 -1.629 -20.898 -2.930 1.00 0.76 C ATOM 0 H ALA A 88 -3.830 -21.670 -2.035 1.00 0.76 H new ATOM 0 HA ALA A 88 -1.150 -22.723 -1.978 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -0.584 -20.615 -3.055 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -1.982 -21.390 -3.836 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -2.227 -20.006 -2.745 1.00 0.76 H new ATOM 1496 N SER A 89 -0.206 -21.714 0.032 1.00 0.81 N ATOM 1497 CA SER A 89 0.413 -21.222 1.227 1.00 0.86 C ATOM 1498 C SER A 89 1.113 -19.899 0.952 1.00 0.78 C ATOM 1499 O SER A 89 1.184 -19.464 -0.203 1.00 0.77 O ATOM 1500 CB SER A 89 1.403 -22.263 1.726 1.00 0.93 C ATOM 1501 OG SER A 89 0.795 -23.544 1.785 1.00 1.60 O ATOM 0 H SER A 89 0.269 -22.519 -0.376 1.00 0.81 H new ATOM 0 HA SER A 89 -0.343 -21.045 1.992 1.00 0.86 H new ATOM 0 HB2 SER A 89 2.269 -22.296 1.064 1.00 0.93 H new ATOM 0 HB3 SER A 89 1.767 -21.982 2.714 1.00 0.93 H new ATOM 0 HG SER A 89 1.447 -24.201 2.106 1.00 1.60 H new ATOM 1507 N LYS A 90 1.633 -19.267 1.990 1.00 0.76 N ATOM 1508 CA LYS A 90 2.265 -17.964 1.844 1.00 0.74 C ATOM 1509 C LYS A 90 3.385 -18.016 0.807 1.00 0.69 C ATOM 1510 O LYS A 90 3.550 -17.095 0.013 1.00 0.67 O ATOM 1511 CB LYS A 90 2.810 -17.484 3.191 1.00 0.81 C ATOM 1512 CG LYS A 90 1.764 -17.453 4.298 1.00 1.29 C ATOM 1513 CD LYS A 90 0.630 -16.489 3.983 1.00 1.77 C ATOM 1514 CE LYS A 90 -0.483 -16.577 5.014 1.00 2.22 C ATOM 1515 NZ LYS A 90 -1.584 -15.628 4.720 1.00 2.96 N ATOM 0 H LYS A 90 1.631 -19.633 2.942 1.00 0.76 H new ATOM 0 HA LYS A 90 1.512 -17.256 1.497 1.00 0.74 H new ATOM 0 HB2 LYS A 90 3.629 -18.136 3.495 1.00 0.81 H new ATOM 0 HB3 LYS A 90 3.227 -16.484 3.069 1.00 0.81 H new ATOM 0 HG2 LYS A 90 1.359 -18.455 4.442 1.00 1.29 H new ATOM 0 HG3 LYS A 90 2.237 -17.162 5.236 1.00 1.29 H new ATOM 0 HD2 LYS A 90 1.016 -15.470 3.950 1.00 1.77 H new ATOM 0 HD3 LYS A 90 0.229 -16.710 2.994 1.00 1.77 H new ATOM 0 HE2 LYS A 90 -0.876 -17.593 5.038 1.00 2.22 H new ATOM 0 HE3 LYS A 90 -0.078 -16.368 6.004 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 -2.323 -15.719 5.446 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 -1.214 -14.656 4.722 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 -1.988 -15.843 3.786 1.00 2.96 H new ATOM 1529 N GLU A 91 4.125 -19.117 0.796 1.00 0.71 N ATOM 1530 CA GLU A 91 5.258 -19.266 -0.108 1.00 0.70 C ATOM 1531 C GLU A 91 4.833 -19.482 -1.564 1.00 0.67 C ATOM 1532 O GLU A 91 5.458 -18.951 -2.471 1.00 0.67 O ATOM 1533 CB GLU A 91 6.150 -20.422 0.342 1.00 0.73 C ATOM 1534 CG GLU A 91 6.844 -20.174 1.672 1.00 1.30 C ATOM 1535 CD GLU A 91 7.831 -21.267 2.017 1.00 1.74 C ATOM 1536 OE1 GLU A 91 7.395 -22.340 2.485 1.00 2.34 O ATOM 1537 OE2 GLU A 91 9.047 -21.053 1.844 1.00 2.10 O ATOM 0 H GLU A 91 3.961 -19.920 1.403 1.00 0.71 H new ATOM 0 HA GLU A 91 5.813 -18.329 -0.066 1.00 0.70 H new ATOM 0 HB2 GLU A 91 5.547 -21.326 0.420 1.00 0.73 H new ATOM 0 HB3 GLU A 91 6.904 -20.607 -0.423 1.00 0.73 H new ATOM 0 HG2 GLU A 91 7.364 -19.217 1.635 1.00 1.30 H new ATOM 0 HG3 GLU A 91 6.096 -20.100 2.461 1.00 1.30 H new ATOM 1544 N GLU A 92 3.787 -20.274 -1.781 1.00 0.66 N ATOM 1545 CA GLU A 92 3.203 -20.474 -3.097 1.00 0.65 C ATOM 1546 C GLU A 92 2.816 -19.154 -3.725 1.00 0.60 C ATOM 1547 O GLU A 92 3.078 -18.913 -4.890 1.00 0.57 O ATOM 1548 CB GLU A 92 1.969 -21.339 -2.968 1.00 0.69 C ATOM 1549 CG GLU A 92 2.239 -22.671 -2.318 1.00 0.74 C ATOM 1550 CD GLU A 92 3.220 -23.509 -3.109 1.00 1.06 C ATOM 1551 OE1 GLU A 92 2.775 -24.255 -4.010 1.00 1.10 O ATOM 1552 OE2 GLU A 92 4.434 -23.436 -2.828 1.00 1.45 O ATOM 0 H GLU A 92 3.320 -20.798 -1.041 1.00 0.66 H new ATOM 0 HA GLU A 92 3.944 -20.959 -3.733 1.00 0.65 H new ATOM 0 HB2 GLU A 92 1.218 -20.804 -2.386 1.00 0.69 H new ATOM 0 HB3 GLU A 92 1.545 -21.505 -3.958 1.00 0.69 H new ATOM 0 HG2 GLU A 92 2.630 -22.510 -1.313 1.00 0.74 H new ATOM 0 HG3 GLU A 92 1.302 -23.217 -2.211 1.00 0.74 H new ATOM 1559 N LEU A 93 2.228 -18.282 -2.932 1.00 0.61 N ATOM 1560 CA LEU A 93 1.940 -16.938 -3.416 1.00 0.60 C ATOM 1561 C LEU A 93 3.253 -16.180 -3.491 1.00 0.61 C ATOM 1562 O LEU A 93 3.446 -15.438 -4.440 1.00 0.64 O ATOM 1563 CB LEU A 93 0.864 -16.272 -2.565 1.00 0.64 C ATOM 1564 CG LEU A 93 -0.488 -17.002 -2.641 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -1.568 -16.269 -1.876 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -0.912 -17.193 -4.090 1.00 1.07 C ATOM 0 H LEU A 93 1.944 -18.468 -1.970 1.00 0.61 H new ATOM 0 HA LEU A 93 1.514 -16.954 -4.419 1.00 0.60 H new ATOM 0 HB2 LEU A 93 1.196 -16.238 -1.527 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.734 -15.240 -2.892 1.00 0.64 H new ATOM 0 HG LEU A 93 -0.355 -17.979 -2.176 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -2.506 -16.818 -1.955 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -1.281 -16.190 -0.827 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -1.696 -15.270 -2.293 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -1.870 -17.711 -4.123 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -1.008 -16.220 -4.572 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.161 -17.785 -4.614 1.00 1.07 H new ATOM 1578 N LYS A 94 4.172 -16.356 -2.567 1.00 0.61 N ATOM 1579 CA LYS A 94 5.360 -15.517 -2.547 1.00 0.61 C ATOM 1580 C LYS A 94 6.248 -15.817 -3.737 1.00 0.66 C ATOM 1581 O LYS A 94 6.834 -14.915 -4.336 1.00 0.72 O ATOM 1582 CB LYS A 94 6.145 -15.723 -1.256 1.00 0.64 C ATOM 1583 CG LYS A 94 7.321 -14.773 -1.103 1.00 0.69 C ATOM 1584 CD LYS A 94 8.037 -14.977 0.223 1.00 1.16 C ATOM 1585 CE LYS A 94 8.668 -16.359 0.322 1.00 1.38 C ATOM 1586 NZ LYS A 94 9.410 -16.535 1.596 1.00 2.06 N ATOM 0 H LYS A 94 4.126 -17.059 -1.829 1.00 0.61 H new ATOM 0 HA LYS A 94 5.035 -14.478 -2.601 1.00 0.61 H new ATOM 0 HB2 LYS A 94 5.473 -15.596 -0.407 1.00 0.64 H new ATOM 0 HB3 LYS A 94 6.511 -16.749 -1.222 1.00 0.64 H new ATOM 0 HG2 LYS A 94 8.022 -14.926 -1.923 1.00 0.69 H new ATOM 0 HG3 LYS A 94 6.969 -13.744 -1.173 1.00 0.69 H new ATOM 0 HD2 LYS A 94 8.809 -14.216 0.339 1.00 1.16 H new ATOM 0 HD3 LYS A 94 7.330 -14.841 1.042 1.00 1.16 H new ATOM 0 HE2 LYS A 94 7.891 -17.120 0.245 1.00 1.38 H new ATOM 0 HE3 LYS A 94 9.346 -16.510 -0.518 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 9.826 -17.488 1.627 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 10.167 -15.825 1.658 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 8.758 -16.416 2.397 1.00 2.06 H new ATOM 1600 N ALA A 95 6.334 -17.081 -4.072 1.00 0.67 N ATOM 1601 CA ALA A 95 7.210 -17.518 -5.126 1.00 0.73 C ATOM 1602 C ALA A 95 6.519 -17.525 -6.480 1.00 0.73 C ATOM 1603 O ALA A 95 7.032 -16.958 -7.447 1.00 0.93 O ATOM 1604 CB ALA A 95 7.774 -18.894 -4.813 1.00 0.77 C ATOM 0 H ALA A 95 5.803 -17.828 -3.625 1.00 0.67 H new ATOM 0 HA ALA A 95 8.029 -16.801 -5.183 1.00 0.73 H new ATOM 0 HB1 ALA A 95 8.434 -19.209 -5.621 1.00 0.77 H new ATOM 0 HB2 ALA A 95 8.336 -18.853 -3.880 1.00 0.77 H new ATOM 0 HB3 ALA A 95 6.957 -19.608 -4.713 1.00 0.77 H new ATOM 1610 N LYS A 96 5.359 -18.181 -6.558 1.00 0.70 N ATOM 1611 CA LYS A 96 4.620 -18.248 -7.813 1.00 0.76 C ATOM 1612 C LYS A 96 4.196 -16.865 -8.322 1.00 0.58 C ATOM 1613 O LYS A 96 3.984 -16.668 -9.520 1.00 0.55 O ATOM 1614 CB LYS A 96 3.382 -19.129 -7.667 1.00 1.02 C ATOM 1615 CG LYS A 96 3.687 -20.613 -7.557 1.00 1.75 C ATOM 1616 CD LYS A 96 4.412 -21.120 -8.789 1.00 2.07 C ATOM 1617 CE LYS A 96 4.800 -22.578 -8.645 1.00 2.92 C ATOM 1618 NZ LYS A 96 5.678 -23.024 -9.758 1.00 3.11 N ATOM 0 H LYS A 96 4.919 -18.666 -5.776 1.00 0.70 H new ATOM 0 HA LYS A 96 5.301 -18.683 -8.545 1.00 0.76 H new ATOM 0 HB2 LYS A 96 2.829 -18.816 -6.782 1.00 1.02 H new ATOM 0 HB3 LYS A 96 2.730 -18.966 -8.525 1.00 1.02 H new ATOM 0 HG2 LYS A 96 4.297 -20.796 -6.672 1.00 1.75 H new ATOM 0 HG3 LYS A 96 2.758 -21.168 -7.425 1.00 1.75 H new ATOM 0 HD2 LYS A 96 3.774 -20.997 -9.664 1.00 2.07 H new ATOM 0 HD3 LYS A 96 5.306 -20.520 -8.959 1.00 2.07 H new ATOM 0 HE2 LYS A 96 5.313 -22.726 -7.695 1.00 2.92 H new ATOM 0 HE3 LYS A 96 3.901 -23.194 -8.621 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 6.380 -23.701 -9.397 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 5.102 -23.482 -10.493 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 6.168 -22.202 -10.165 1.00 3.11 H new ATOM 1632 N VAL A 97 4.104 -15.905 -7.397 1.00 0.62 N ATOM 1633 CA VAL A 97 3.849 -14.521 -7.758 1.00 0.57 C ATOM 1634 C VAL A 97 5.014 -13.977 -8.579 1.00 0.54 C ATOM 1635 O VAL A 97 4.824 -13.249 -9.548 1.00 0.59 O ATOM 1636 CB VAL A 97 3.611 -13.636 -6.519 1.00 0.60 C ATOM 1637 CG1 VAL A 97 4.874 -12.956 -6.103 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.530 -12.619 -6.788 1.00 0.93 C ATOM 0 H VAL A 97 4.203 -16.068 -6.395 1.00 0.62 H new ATOM 0 HA VAL A 97 2.938 -14.496 -8.355 1.00 0.57 H new ATOM 0 HB VAL A 97 3.282 -14.280 -5.703 1.00 0.60 H new ATOM 0 HG11 VAL A 97 4.682 -12.337 -5.227 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.628 -13.705 -5.860 1.00 0.97 H new ATOM 0 HG13 VAL A 97 5.235 -12.329 -6.918 1.00 0.97 H new ATOM 0 HG21 VAL A 97 2.379 -12.005 -5.900 1.00 0.93 H new ATOM 0 HG22 VAL A 97 2.828 -11.983 -7.622 1.00 0.93 H new ATOM 0 HG23 VAL A 97 1.601 -13.132 -7.037 1.00 0.93 H new ATOM 1648 N GLU A 98 6.219 -14.386 -8.212 1.00 0.53 N ATOM 1649 CA GLU A 98 7.421 -13.878 -8.842 1.00 0.57 C ATOM 1650 C GLU A 98 7.606 -14.472 -10.225 1.00 0.52 C ATOM 1651 O GLU A 98 8.213 -13.854 -11.089 1.00 0.53 O ATOM 1652 CB GLU A 98 8.630 -14.158 -7.960 1.00 0.68 C ATOM 1653 CG GLU A 98 8.629 -13.340 -6.680 1.00 0.81 C ATOM 1654 CD GLU A 98 8.892 -11.868 -6.932 1.00 1.31 C ATOM 1655 OE1 GLU A 98 9.838 -11.547 -7.683 1.00 1.65 O ATOM 1656 OE2 GLU A 98 8.154 -11.024 -6.382 1.00 2.03 O ATOM 0 H GLU A 98 6.387 -15.072 -7.476 1.00 0.53 H new ATOM 0 HA GLU A 98 7.320 -12.799 -8.961 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.652 -15.218 -7.708 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.540 -13.945 -8.521 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.667 -13.454 -6.181 1.00 0.81 H new ATOM 0 HG3 GLU A 98 9.388 -13.731 -6.002 1.00 0.81 H new ATOM 1663 N GLU A 99 7.063 -15.659 -10.448 1.00 0.49 N ATOM 1664 CA GLU A 99 7.107 -16.254 -11.776 1.00 0.49 C ATOM 1665 C GLU A 99 6.244 -15.444 -12.728 1.00 0.48 C ATOM 1666 O GLU A 99 6.598 -15.238 -13.888 1.00 0.51 O ATOM 1667 CB GLU A 99 6.654 -17.713 -11.741 1.00 0.52 C ATOM 1668 CG GLU A 99 7.616 -18.614 -10.988 1.00 0.91 C ATOM 1669 CD GLU A 99 7.282 -20.083 -11.133 1.00 1.68 C ATOM 1670 OE1 GLU A 99 7.181 -20.564 -12.285 1.00 1.82 O ATOM 1671 OE2 GLU A 99 7.119 -20.766 -10.105 1.00 2.48 O ATOM 0 H GLU A 99 6.593 -16.223 -9.739 1.00 0.49 H new ATOM 0 HA GLU A 99 8.137 -16.239 -12.131 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.670 -17.771 -11.275 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.546 -18.079 -12.762 1.00 0.52 H new ATOM 0 HG2 GLU A 99 8.629 -18.439 -11.351 1.00 0.91 H new ATOM 0 HG3 GLU A 99 7.605 -18.347 -9.931 1.00 0.91 H new ATOM 1678 N ALA A 100 5.131 -14.953 -12.212 1.00 0.49 N ATOM 1679 CA ALA A 100 4.251 -14.095 -12.982 1.00 0.55 C ATOM 1680 C ALA A 100 4.859 -12.697 -13.135 1.00 0.54 C ATOM 1681 O ALA A 100 4.864 -12.127 -14.227 1.00 0.58 O ATOM 1682 CB ALA A 100 2.890 -14.028 -12.311 1.00 0.63 C ATOM 0 H ALA A 100 4.815 -15.135 -11.259 1.00 0.49 H new ATOM 0 HA ALA A 100 4.128 -14.513 -13.981 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.230 -13.383 -12.891 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.462 -15.029 -12.255 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.000 -13.624 -11.305 1.00 0.63 H new ATOM 1688 N LEU A 101 5.373 -12.165 -12.030 1.00 0.51 N ATOM 1689 CA LEU A 101 6.013 -10.848 -12.002 1.00 0.53 C ATOM 1690 C LEU A 101 7.317 -10.821 -12.805 1.00 0.51 C ATOM 1691 O LEU A 101 7.808 -9.755 -13.165 1.00 0.53 O ATOM 1692 CB LEU A 101 6.287 -10.438 -10.556 1.00 0.53 C ATOM 1693 CG LEU A 101 5.119 -9.791 -9.793 1.00 0.66 C ATOM 1694 CD1 LEU A 101 5.016 -8.313 -10.126 1.00 1.40 C ATOM 1695 CD2 LEU A 101 3.792 -10.471 -10.094 1.00 1.28 C ATOM 0 H LEU A 101 5.359 -12.634 -11.125 1.00 0.51 H new ATOM 0 HA LEU A 101 5.327 -10.140 -12.467 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.606 -11.323 -10.005 1.00 0.53 H new ATOM 0 HB3 LEU A 101 7.125 -9.741 -10.552 1.00 0.53 H new ATOM 0 HG LEU A 101 5.329 -9.914 -8.731 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.184 -7.873 -9.576 1.00 1.40 H new ATOM 0 HD12 LEU A 101 5.942 -7.811 -9.845 1.00 1.40 H new ATOM 0 HD13 LEU A 101 4.848 -8.192 -11.196 1.00 1.40 H new ATOM 0 HD21 LEU A 101 2.996 -9.981 -9.533 1.00 1.28 H new ATOM 0 HD22 LEU A 101 3.581 -10.400 -11.161 1.00 1.28 H new ATOM 0 HD23 LEU A 101 3.847 -11.520 -9.804 1.00 1.28 H new ATOM 1707 N HIS A 102 7.900 -11.981 -13.059 1.00 0.51 N ATOM 1708 CA HIS A 102 9.053 -12.047 -13.947 1.00 0.53 C ATOM 1709 C HIS A 102 8.562 -12.105 -15.388 1.00 0.56 C ATOM 1710 O HIS A 102 9.084 -11.400 -16.253 1.00 0.57 O ATOM 1711 CB HIS A 102 9.948 -13.243 -13.618 1.00 0.55 C ATOM 1712 CG HIS A 102 10.715 -13.096 -12.334 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.371 -14.146 -11.731 1.00 1.95 N ATOM 1714 CD2 HIS A 102 10.913 -12.023 -11.531 1.00 1.39 C ATOM 1715 CE1 HIS A 102 11.933 -13.727 -10.611 1.00 2.48 C ATOM 1716 NE2 HIS A 102 11.671 -12.443 -10.467 1.00 2.14 N ATOM 0 H HIS A 102 7.602 -12.876 -12.672 1.00 0.51 H new ATOM 0 HA HIS A 102 9.662 -11.154 -13.807 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.332 -14.140 -13.561 1.00 0.55 H new ATOM 0 HB3 HIS A 102 10.653 -13.392 -14.436 1.00 0.55 H new ATOM 0 HD2 HIS A 102 10.543 -11.022 -11.697 1.00 1.39 H new ATOM 0 HE1 HIS A 102 12.510 -14.334 -9.929 1.00 2.48 H new ATOM 0 HE2 HIS A 102 11.981 -11.857 -9.691 1.00 2.14 H new ATOM 1725 N ALA A 103 7.576 -12.962 -15.645 1.00 0.58 N ATOM 1726 CA ALA A 103 7.124 -13.262 -17.005 1.00 0.61 C ATOM 1727 C ALA A 103 6.549 -12.038 -17.730 1.00 0.61 C ATOM 1728 O ALA A 103 6.274 -12.098 -18.930 1.00 0.64 O ATOM 1729 CB ALA A 103 6.100 -14.384 -16.959 1.00 0.63 C ATOM 0 H ALA A 103 7.068 -13.468 -14.919 1.00 0.58 H new ATOM 0 HA ALA A 103 7.997 -13.574 -17.579 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.762 -14.609 -17.970 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.554 -15.273 -16.522 1.00 0.63 H new ATOM 0 HB3 ALA A 103 5.249 -14.075 -16.352 1.00 0.63 H new ATOM 1735 N VAL A 104 6.385 -10.934 -17.019 1.00 0.60 N ATOM 1736 CA VAL A 104 5.863 -9.726 -17.592 1.00 0.63 C ATOM 1737 C VAL A 104 7.001 -8.895 -18.193 1.00 0.76 C ATOM 1738 O VAL A 104 8.125 -8.889 -17.682 1.00 1.68 O ATOM 1739 CB VAL A 104 5.075 -8.939 -16.533 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.877 -8.799 -15.274 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.659 -7.574 -17.041 1.00 0.51 C ATOM 0 H VAL A 104 6.614 -10.861 -16.028 1.00 0.60 H new ATOM 0 HA VAL A 104 5.174 -9.973 -18.400 1.00 0.63 H new ATOM 0 HB VAL A 104 4.169 -9.505 -16.316 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.302 -8.239 -14.537 1.00 0.60 H new ATOM 0 HG12 VAL A 104 6.109 -9.788 -14.878 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.804 -8.268 -15.490 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.104 -7.050 -16.263 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.546 -6.998 -17.305 1.00 0.51 H new ATOM 0 HG23 VAL A 104 4.027 -7.691 -17.921 1.00 0.51 H new ATOM 1751 N THR A 105 6.693 -8.192 -19.267 1.00 0.77 N ATOM 1752 CA THR A 105 7.732 -7.471 -19.996 1.00 0.79 C ATOM 1753 C THR A 105 7.239 -6.152 -20.576 1.00 0.75 C ATOM 1754 O THR A 105 7.965 -5.498 -21.321 1.00 0.95 O ATOM 1755 CB THR A 105 8.294 -8.330 -21.147 1.00 0.94 C ATOM 1756 OG1 THR A 105 7.218 -8.966 -21.851 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.268 -9.381 -20.639 1.00 1.03 C ATOM 0 H THR A 105 5.753 -8.102 -19.652 1.00 0.77 H new ATOM 0 HA THR A 105 8.512 -7.256 -19.266 1.00 0.79 H new ATOM 0 HB THR A 105 8.837 -7.668 -21.822 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.581 -9.509 -22.582 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.643 -9.966 -21.479 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.103 -8.891 -20.137 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.758 -10.040 -19.936 1.00 1.03 H new ATOM 1765 N ASP A 106 6.037 -5.736 -20.229 1.00 0.77 N ATOM 1766 CA ASP A 106 5.582 -4.415 -20.621 1.00 0.79 C ATOM 1767 C ASP A 106 6.092 -3.381 -19.626 1.00 0.73 C ATOM 1768 O ASP A 106 5.863 -3.489 -18.424 1.00 0.72 O ATOM 1769 CB ASP A 106 4.052 -4.371 -20.672 1.00 0.79 C ATOM 1770 CG ASP A 106 3.526 -3.162 -21.427 1.00 1.35 C ATOM 1771 OD1 ASP A 106 3.404 -2.076 -20.824 1.00 2.07 O ATOM 1772 OD2 ASP A 106 3.224 -3.295 -22.630 1.00 1.38 O ATOM 0 H ASP A 106 5.367 -6.281 -19.686 1.00 0.77 H new ATOM 0 HA ASP A 106 5.973 -4.189 -21.613 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.682 -5.280 -21.146 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.659 -4.359 -19.656 1.00 0.79 H new ATOM 1777 N GLU A 107 6.832 -2.406 -20.152 1.00 0.71 N ATOM 1778 CA GLU A 107 7.681 -1.521 -19.351 1.00 0.69 C ATOM 1779 C GLU A 107 6.929 -0.869 -18.196 1.00 0.66 C ATOM 1780 O GLU A 107 7.367 -0.915 -17.047 1.00 0.63 O ATOM 1781 CB GLU A 107 8.297 -0.440 -20.243 1.00 0.73 C ATOM 1782 CG GLU A 107 9.423 0.335 -19.581 1.00 1.63 C ATOM 1783 CD GLU A 107 10.621 -0.538 -19.265 1.00 2.35 C ATOM 1784 OE1 GLU A 107 11.428 -0.801 -20.178 1.00 2.65 O ATOM 1785 OE2 GLU A 107 10.758 -0.976 -18.103 1.00 3.18 O ATOM 0 H GLU A 107 6.861 -2.206 -21.152 1.00 0.71 H new ATOM 0 HA GLU A 107 8.465 -2.140 -18.916 1.00 0.69 H new ATOM 0 HB2 GLU A 107 8.675 -0.906 -21.153 1.00 0.73 H new ATOM 0 HB3 GLU A 107 7.516 0.258 -20.543 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.733 1.149 -20.236 1.00 1.63 H new ATOM 0 HG3 GLU A 107 9.055 0.789 -18.661 1.00 1.63 H new ATOM 1792 N GLU A 108 5.784 -0.282 -18.524 1.00 0.67 N ATOM 1793 CA GLU A 108 4.915 0.366 -17.547 1.00 0.66 C ATOM 1794 C GLU A 108 4.567 -0.582 -16.404 1.00 0.58 C ATOM 1795 O GLU A 108 4.559 -0.199 -15.237 1.00 0.54 O ATOM 1796 CB GLU A 108 3.635 0.815 -18.251 1.00 0.76 C ATOM 1797 CG GLU A 108 2.551 1.320 -17.317 1.00 1.46 C ATOM 1798 CD GLU A 108 1.195 1.320 -17.981 1.00 2.09 C ATOM 1799 OE1 GLU A 108 0.593 0.233 -18.094 1.00 2.78 O ATOM 1800 OE2 GLU A 108 0.728 2.396 -18.394 1.00 2.40 O ATOM 0 H GLU A 108 5.430 -0.242 -19.480 1.00 0.67 H new ATOM 0 HA GLU A 108 5.438 1.224 -17.124 1.00 0.66 H new ATOM 0 HB2 GLU A 108 3.883 1.604 -18.961 1.00 0.76 H new ATOM 0 HB3 GLU A 108 3.240 -0.021 -18.828 1.00 0.76 H new ATOM 0 HG2 GLU A 108 2.519 0.694 -16.425 1.00 1.46 H new ATOM 0 HG3 GLU A 108 2.795 2.330 -16.989 1.00 1.46 H new ATOM 1807 N LYS A 109 4.272 -1.820 -16.759 1.00 0.59 N ATOM 1808 CA LYS A 109 3.909 -2.849 -15.803 1.00 0.55 C ATOM 1809 C LYS A 109 5.063 -3.092 -14.822 1.00 0.51 C ATOM 1810 O LYS A 109 4.879 -3.111 -13.602 1.00 0.48 O ATOM 1811 CB LYS A 109 3.560 -4.140 -16.564 1.00 0.58 C ATOM 1812 CG LYS A 109 2.214 -4.130 -17.299 1.00 0.65 C ATOM 1813 CD LYS A 109 2.014 -2.909 -18.181 1.00 1.22 C ATOM 1814 CE LYS A 109 0.716 -2.997 -18.967 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.497 -1.798 -19.818 1.00 1.81 N ATOM 0 H LYS A 109 4.278 -2.141 -17.727 1.00 0.59 H new ATOM 0 HA LYS A 109 3.041 -2.527 -15.228 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.349 -4.338 -17.290 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.562 -4.970 -15.857 1.00 0.58 H new ATOM 0 HG2 LYS A 109 2.137 -5.028 -17.912 1.00 0.65 H new ATOM 0 HG3 LYS A 109 1.408 -4.175 -16.566 1.00 0.65 H new ATOM 0 HD2 LYS A 109 2.007 -2.010 -17.564 1.00 1.22 H new ATOM 0 HD3 LYS A 109 2.853 -2.816 -18.871 1.00 1.22 H new ATOM 0 HE2 LYS A 109 0.732 -3.888 -19.594 1.00 1.11 H new ATOM 0 HE3 LYS A 109 -0.119 -3.108 -18.276 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.335 -1.950 -20.424 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 0.338 -0.967 -19.213 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 1.334 -1.637 -20.413 1.00 1.81 H new ATOM 1829 N LYS A 110 6.265 -3.224 -15.365 1.00 0.53 N ATOM 1830 CA LYS A 110 7.441 -3.532 -14.553 1.00 0.53 C ATOM 1831 C LYS A 110 7.882 -2.336 -13.710 1.00 0.51 C ATOM 1832 O LYS A 110 8.686 -2.463 -12.783 1.00 0.51 O ATOM 1833 CB LYS A 110 8.606 -3.963 -15.444 1.00 0.56 C ATOM 1834 CG LYS A 110 8.318 -5.178 -16.306 1.00 0.62 C ATOM 1835 CD LYS A 110 9.536 -5.594 -17.123 1.00 0.80 C ATOM 1836 CE LYS A 110 10.005 -4.487 -18.063 1.00 0.81 C ATOM 1837 NZ LYS A 110 10.903 -3.507 -17.387 1.00 1.14 N ATOM 0 H LYS A 110 6.455 -3.123 -16.362 1.00 0.53 H new ATOM 0 HA LYS A 110 7.160 -4.344 -13.883 1.00 0.53 H new ATOM 0 HB2 LYS A 110 8.880 -3.130 -16.091 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.470 -4.176 -14.814 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.005 -6.008 -15.672 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.488 -4.959 -16.977 1.00 0.62 H new ATOM 0 HD2 LYS A 110 10.349 -5.864 -16.449 1.00 0.80 H new ATOM 0 HD3 LYS A 110 9.295 -6.484 -17.704 1.00 0.80 H new ATOM 0 HE2 LYS A 110 10.529 -4.931 -18.910 1.00 0.81 H new ATOM 0 HE3 LYS A 110 9.137 -3.963 -18.464 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 10.448 -2.572 -17.373 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 11.085 -3.818 -16.412 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 11.803 -3.446 -17.905 1.00 1.14 H new ATOM 1851 N GLN A 111 7.316 -1.186 -14.040 1.00 0.51 N ATOM 1852 CA GLN A 111 7.454 -0.005 -13.194 1.00 0.51 C ATOM 1853 C GLN A 111 6.756 -0.227 -11.856 1.00 0.50 C ATOM 1854 O GLN A 111 7.277 0.148 -10.806 1.00 0.51 O ATOM 1855 CB GLN A 111 6.884 1.229 -13.893 1.00 0.52 C ATOM 1856 CG GLN A 111 7.728 1.703 -15.060 1.00 1.08 C ATOM 1857 CD GLN A 111 9.040 2.309 -14.605 1.00 1.23 C ATOM 1858 OE1 GLN A 111 9.128 3.515 -14.382 1.00 1.69 O ATOM 1859 NE2 GLN A 111 10.057 1.481 -14.442 1.00 1.61 N ATOM 0 H GLN A 111 6.759 -1.042 -14.882 1.00 0.51 H new ATOM 0 HA GLN A 111 8.515 0.164 -13.011 1.00 0.51 H new ATOM 0 HB2 GLN A 111 5.879 1.004 -14.249 1.00 0.52 H new ATOM 0 HB3 GLN A 111 6.792 2.038 -13.168 1.00 0.52 H new ATOM 0 HG2 GLN A 111 7.928 0.864 -15.726 1.00 1.08 H new ATOM 0 HG3 GLN A 111 7.169 2.441 -15.635 1.00 1.08 H new ATOM 0 HE21 GLN A 111 9.942 0.487 -14.638 1.00 1.61 H new ATOM 0 HE22 GLN A 111 10.957 1.836 -14.120 1.00 1.61 H new ATOM 1868 N TYR A 112 5.596 -0.878 -11.900 1.00 0.50 N ATOM 1869 CA TYR A 112 4.833 -1.182 -10.692 1.00 0.49 C ATOM 1870 C TYR A 112 5.533 -2.282 -9.914 1.00 0.49 C ATOM 1871 O TYR A 112 5.492 -2.319 -8.685 1.00 0.50 O ATOM 1872 CB TYR A 112 3.414 -1.619 -11.048 1.00 0.49 C ATOM 1873 CG TYR A 112 2.684 -0.626 -11.914 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.642 0.715 -11.569 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.025 -1.028 -13.070 1.00 0.66 C ATOM 1876 CE1 TYR A 112 1.964 1.629 -12.349 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.343 -0.119 -13.856 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.362 1.203 -13.535 1.00 0.80 C ATOM 1879 OH TYR A 112 0.640 2.123 -14.266 1.00 0.92 O ATOM 0 H TYR A 112 5.162 -1.206 -12.763 1.00 0.50 H new ATOM 0 HA TYR A 112 4.773 -0.283 -10.079 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.455 -2.579 -11.563 1.00 0.49 H new ATOM 0 HB3 TYR A 112 2.848 -1.775 -10.130 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.148 1.050 -10.676 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.046 -2.068 -13.359 1.00 0.66 H new ATOM 0 HE1 TYR A 112 1.899 2.663 -12.046 1.00 0.82 H new ATOM 0 HE2 TYR A 112 0.796 -0.457 -14.724 1.00 0.75 H new ATOM 0 HH TYR A 112 0.277 1.692 -15.068 1.00 0.92 H new ATOM 1889 N ILE A 113 6.176 -3.181 -10.646 1.00 0.49 N ATOM 1890 CA ILE A 113 6.977 -4.226 -10.025 1.00 0.51 C ATOM 1891 C ILE A 113 8.058 -3.618 -9.130 1.00 0.53 C ATOM 1892 O ILE A 113 8.292 -4.076 -8.013 1.00 0.54 O ATOM 1893 CB ILE A 113 7.649 -5.116 -11.076 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.591 -5.756 -11.965 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.509 -6.181 -10.407 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.170 -6.686 -12.993 1.00 0.72 C ATOM 0 H ILE A 113 6.159 -3.208 -11.666 1.00 0.49 H new ATOM 0 HA ILE A 113 6.300 -4.834 -9.425 1.00 0.51 H new ATOM 0 HB ILE A 113 8.300 -4.500 -11.696 1.00 0.57 H new ATOM 0 HG12 ILE A 113 5.886 -6.306 -11.342 1.00 0.63 H new ATOM 0 HG13 ILE A 113 6.026 -4.972 -12.470 1.00 0.63 H new ATOM 0 HG21 ILE A 113 8.977 -6.803 -11.170 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.281 -5.701 -9.806 1.00 0.59 H new ATOM 0 HG23 ILE A 113 7.885 -6.803 -9.766 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.366 -7.110 -13.594 1.00 0.72 H new ATOM 0 HD12 ILE A 113 7.854 -6.135 -13.638 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.711 -7.489 -12.493 1.00 0.72 H new ATOM 1908 N ALA A 114 8.714 -2.579 -9.635 1.00 0.56 N ATOM 1909 CA ALA A 114 9.749 -1.882 -8.883 1.00 0.59 C ATOM 1910 C ALA A 114 9.127 -1.016 -7.790 1.00 0.59 C ATOM 1911 O ALA A 114 9.634 -0.961 -6.667 1.00 0.60 O ATOM 1912 CB ALA A 114 10.599 -1.040 -9.824 1.00 0.63 C ATOM 0 H ALA A 114 8.546 -2.200 -10.567 1.00 0.56 H new ATOM 0 HA ALA A 114 10.392 -2.619 -8.402 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.370 -0.523 -9.253 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.069 -1.686 -10.566 1.00 0.63 H new ATOM 0 HB3 ALA A 114 9.968 -0.308 -10.328 1.00 0.63 H new ATOM 1918 N ASP A 115 8.040 -0.335 -8.116 1.00 0.61 N ATOM 1919 CA ASP A 115 7.390 0.554 -7.167 1.00 0.66 C ATOM 1920 C ASP A 115 6.739 -0.221 -6.030 1.00 0.60 C ATOM 1921 O ASP A 115 7.139 -0.102 -4.877 1.00 0.59 O ATOM 1922 CB ASP A 115 6.336 1.414 -7.868 1.00 0.77 C ATOM 1923 CG ASP A 115 6.935 2.503 -8.739 1.00 1.03 C ATOM 1924 OD1 ASP A 115 8.114 2.862 -8.524 1.00 1.20 O ATOM 1925 OD2 ASP A 115 6.234 3.006 -9.642 1.00 1.73 O ATOM 0 H ASP A 115 7.590 -0.381 -9.030 1.00 0.61 H new ATOM 0 HA ASP A 115 8.162 1.199 -6.747 1.00 0.66 H new ATOM 0 HB2 ASP A 115 5.704 0.773 -8.482 1.00 0.77 H new ATOM 0 HB3 ASP A 115 5.692 1.872 -7.117 1.00 0.77 H new ATOM 1930 N PHE A 116 5.758 -1.035 -6.365 1.00 0.60 N ATOM 1931 CA PHE A 116 4.923 -1.666 -5.354 1.00 0.60 C ATOM 1932 C PHE A 116 5.391 -3.078 -5.017 1.00 0.56 C ATOM 1933 O PHE A 116 5.180 -3.528 -3.903 1.00 0.55 O ATOM 1934 CB PHE A 116 3.464 -1.699 -5.809 1.00 0.68 C ATOM 1935 CG PHE A 116 2.541 -0.861 -4.979 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.056 -1.336 -3.770 1.00 1.01 C ATOM 1937 CD2 PHE A 116 2.147 0.393 -5.412 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.197 -0.576 -3.006 1.00 1.29 C ATOM 1939 CE2 PHE A 116 1.287 1.163 -4.649 1.00 1.62 C ATOM 1940 CZ PHE A 116 0.809 0.674 -3.444 1.00 1.52 C ATOM 0 H PHE A 116 5.517 -1.277 -7.326 1.00 0.60 H new ATOM 0 HA PHE A 116 5.009 -1.064 -4.450 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.411 -1.361 -6.844 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.113 -2.731 -5.792 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.355 -2.314 -3.423 1.00 1.01 H new ATOM 0 HD2 PHE A 116 2.514 0.774 -6.354 1.00 1.11 H new ATOM 0 HE1 PHE A 116 0.828 -0.958 -2.066 1.00 1.29 H new ATOM 0 HE2 PHE A 116 0.989 2.143 -4.992 1.00 1.62 H new ATOM 0 HZ PHE A 116 0.134 1.270 -2.848 1.00 1.52 H new ATOM 1950 N GLY A 117 6.067 -3.741 -5.952 1.00 0.55 N ATOM 1951 CA GLY A 117 6.411 -5.163 -5.791 1.00 0.56 C ATOM 1952 C GLY A 117 6.924 -5.562 -4.398 1.00 0.54 C ATOM 1953 O GLY A 117 6.239 -6.298 -3.667 1.00 0.55 O ATOM 0 H GLY A 117 6.389 -3.325 -6.826 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.529 -5.761 -6.020 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.172 -5.421 -6.528 1.00 0.56 H new ATOM 1957 N PRO A 118 8.122 -5.099 -3.993 1.00 0.52 N ATOM 1958 CA PRO A 118 8.738 -5.496 -2.715 1.00 0.53 C ATOM 1959 C PRO A 118 7.874 -5.140 -1.510 1.00 0.46 C ATOM 1960 O PRO A 118 7.882 -5.835 -0.495 1.00 0.45 O ATOM 1961 CB PRO A 118 10.047 -4.701 -2.675 1.00 0.54 C ATOM 1962 CG PRO A 118 10.317 -4.328 -4.091 1.00 0.65 C ATOM 1963 CD PRO A 118 8.975 -4.160 -4.740 1.00 0.53 C ATOM 0 HA PRO A 118 8.876 -6.576 -2.661 1.00 0.53 H new ATOM 0 HB2 PRO A 118 9.952 -3.816 -2.045 1.00 0.54 H new ATOM 0 HB3 PRO A 118 10.859 -5.300 -2.263 1.00 0.54 H new ATOM 0 HG2 PRO A 118 10.895 -3.406 -4.148 1.00 0.65 H new ATOM 0 HG3 PRO A 118 10.899 -5.101 -4.593 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.613 -3.135 -4.658 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.008 -4.403 -5.802 1.00 0.53 H new ATOM 1971 N ALA A 119 7.121 -4.061 -1.635 1.00 0.46 N ATOM 1972 CA ALA A 119 6.258 -3.596 -0.564 1.00 0.42 C ATOM 1973 C ALA A 119 4.949 -4.373 -0.536 1.00 0.44 C ATOM 1974 O ALA A 119 4.371 -4.592 0.524 1.00 0.43 O ATOM 1975 CB ALA A 119 5.979 -2.110 -0.732 1.00 0.41 C ATOM 0 H ALA A 119 7.091 -3.486 -2.477 1.00 0.46 H new ATOM 0 HA ALA A 119 6.770 -3.763 0.383 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.331 -1.768 0.075 1.00 0.41 H new ATOM 0 HB2 ALA A 119 6.918 -1.558 -0.702 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.488 -1.938 -1.690 1.00 0.41 H new ATOM 1981 N CYS A 120 4.500 -4.806 -1.705 1.00 0.47 N ATOM 1982 CA CYS A 120 3.378 -5.729 -1.813 1.00 0.50 C ATOM 1983 C CYS A 120 3.647 -6.993 -1.012 1.00 0.52 C ATOM 1984 O CYS A 120 2.725 -7.606 -0.485 1.00 0.53 O ATOM 1985 CB CYS A 120 3.127 -6.106 -3.272 1.00 0.56 C ATOM 1986 SG CYS A 120 2.498 -4.745 -4.304 1.00 1.17 S ATOM 0 H CYS A 120 4.900 -4.530 -2.602 1.00 0.47 H new ATOM 0 HA CYS A 120 2.496 -5.228 -1.414 1.00 0.50 H new ATOM 0 HB2 CYS A 120 4.058 -6.473 -3.705 1.00 0.56 H new ATOM 0 HB3 CYS A 120 2.414 -6.929 -3.304 1.00 0.56 H new ATOM 1991 N LYS A 121 4.914 -7.387 -0.934 1.00 0.54 N ATOM 1992 CA LYS A 121 5.304 -8.564 -0.159 1.00 0.58 C ATOM 1993 C LYS A 121 4.843 -8.483 1.304 1.00 0.59 C ATOM 1994 O LYS A 121 4.185 -9.403 1.790 1.00 0.65 O ATOM 1995 CB LYS A 121 6.812 -8.784 -0.243 1.00 0.63 C ATOM 1996 CG LYS A 121 7.199 -9.965 -1.124 1.00 1.01 C ATOM 1997 CD LYS A 121 6.594 -9.870 -2.518 1.00 1.04 C ATOM 1998 CE LYS A 121 6.766 -11.170 -3.291 1.00 1.37 C ATOM 1999 NZ LYS A 121 8.186 -11.445 -3.635 1.00 1.47 N ATOM 0 H LYS A 121 5.688 -6.911 -1.396 1.00 0.54 H new ATOM 0 HA LYS A 121 4.797 -9.422 -0.601 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.283 -7.881 -0.630 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.206 -8.944 0.761 1.00 0.63 H new ATOM 0 HG2 LYS A 121 8.285 -10.015 -1.204 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.872 -10.891 -0.651 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.534 -9.630 -2.440 1.00 1.04 H new ATOM 0 HD3 LYS A 121 7.066 -9.055 -3.066 1.00 1.04 H new ATOM 0 HE2 LYS A 121 6.373 -11.996 -2.698 1.00 1.37 H new ATOM 0 HE3 LYS A 121 6.176 -11.125 -4.206 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 8.374 -12.464 -3.546 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 8.371 -11.142 -4.613 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 8.808 -10.921 -2.987 1.00 1.47 H new ATOM 2013 N LYS A 122 5.192 -7.403 2.010 1.00 0.54 N ATOM 2014 CA LYS A 122 4.693 -7.217 3.378 1.00 0.55 C ATOM 2015 C LYS A 122 3.177 -7.026 3.364 1.00 0.53 C ATOM 2016 O LYS A 122 2.498 -7.371 4.328 1.00 0.57 O ATOM 2017 CB LYS A 122 5.385 -6.051 4.098 1.00 0.52 C ATOM 2018 CG LYS A 122 5.366 -4.734 3.340 1.00 0.46 C ATOM 2019 CD LYS A 122 5.824 -3.575 4.216 1.00 0.47 C ATOM 2020 CE LYS A 122 7.191 -3.825 4.835 1.00 1.15 C ATOM 2021 NZ LYS A 122 8.251 -3.994 3.808 1.00 1.50 N ATOM 0 H LYS A 122 5.803 -6.661 1.669 1.00 0.54 H new ATOM 0 HA LYS A 122 4.933 -8.119 3.940 1.00 0.55 H new ATOM 0 HB2 LYS A 122 4.906 -5.904 5.066 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.421 -6.327 4.294 1.00 0.52 H new ATOM 0 HG2 LYS A 122 6.013 -4.808 2.466 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.358 -4.538 2.975 1.00 0.46 H new ATOM 0 HD2 LYS A 122 5.859 -2.663 3.620 1.00 0.47 H new ATOM 0 HD3 LYS A 122 5.093 -3.410 5.008 1.00 0.47 H new ATOM 0 HE2 LYS A 122 7.450 -2.991 5.488 1.00 1.15 H new ATOM 0 HE3 LYS A 122 7.147 -4.717 5.459 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 9.172 -4.111 4.276 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 8.046 -4.835 3.232 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 8.278 -3.154 3.196 1.00 1.50 H new ATOM 2035 N ILE A 123 2.655 -6.442 2.293 1.00 0.49 N ATOM 2036 CA ILE A 123 1.228 -6.158 2.203 1.00 0.48 C ATOM 2037 C ILE A 123 0.390 -7.433 2.130 1.00 0.51 C ATOM 2038 O ILE A 123 -0.580 -7.624 2.860 1.00 0.54 O ATOM 2039 CB ILE A 123 0.903 -5.260 1.007 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.500 -3.872 1.235 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.603 -5.176 0.807 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.278 -2.931 0.086 1.00 0.44 C ATOM 0 H ILE A 123 3.196 -6.156 1.477 1.00 0.49 H new ATOM 0 HA ILE A 123 0.968 -5.629 3.120 1.00 0.48 H new ATOM 0 HB ILE A 123 1.340 -5.686 0.104 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.065 -3.441 2.137 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.571 -3.970 1.413 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.821 -4.534 -0.047 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -1.002 -6.174 0.623 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -1.066 -4.760 1.702 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.727 -1.965 0.315 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.737 -3.341 -0.814 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.208 -2.804 -0.078 1.00 0.44 H new ATOM 2054 N TYR A 124 0.839 -8.311 1.243 1.00 0.52 N ATOM 2055 CA TYR A 124 0.335 -9.670 1.084 1.00 0.58 C ATOM 2056 C TYR A 124 0.879 -10.578 2.181 1.00 0.64 C ATOM 2057 O TYR A 124 0.748 -11.788 2.079 1.00 0.82 O ATOM 2058 CB TYR A 124 0.698 -10.231 -0.291 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.094 -9.619 -1.425 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -1.446 -9.893 -1.580 1.00 1.14 C ATOM 2061 CD2 TYR A 124 0.511 -8.763 -2.338 1.00 0.95 C ATOM 2062 CE1 TYR A 124 -2.171 -9.333 -2.614 1.00 1.28 C ATOM 2063 CE2 TYR A 124 -0.209 -8.202 -3.374 1.00 1.05 C ATOM 2064 CZ TYR A 124 -1.551 -8.499 -3.511 1.00 0.95 C ATOM 2065 OH TYR A 124 -2.271 -7.934 -4.539 1.00 1.17 O ATOM 0 H TYR A 124 1.591 -8.089 0.591 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.751 -9.635 1.166 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.760 -10.067 -0.472 1.00 0.59 H new ATOM 0 HB3 TYR A 124 0.538 -11.309 -0.288 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -1.938 -10.554 -0.882 1.00 1.14 H new ATOM 0 HD2 TYR A 124 1.561 -8.533 -2.235 1.00 0.95 H new ATOM 0 HE1 TYR A 124 -3.224 -9.551 -2.717 1.00 1.28 H new ATOM 0 HE2 TYR A 124 0.274 -7.535 -4.073 1.00 1.05 H new ATOM 0 HH TYR A 124 -1.680 -7.370 -5.081 1.00 1.17 H new ATOM 2075 N GLY A 125 1.297 -9.926 3.277 1.00 0.73 N ATOM 2076 CA GLY A 125 2.349 -10.322 4.245 1.00 0.86 C ATOM 2077 C GLY A 125 2.808 -11.776 4.302 1.00 0.71 C ATOM 2078 O GLY A 125 3.153 -12.267 5.370 1.00 0.78 O ATOM 0 H GLY A 125 0.877 -9.033 3.537 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.228 -9.710 4.041 1.00 0.86 H new ATOM 0 HA3 GLY A 125 1.996 -10.052 5.240 1.00 0.86 H new ATOM 2082 N VAL A 126 2.777 -12.451 3.175 1.00 0.71 N ATOM 2083 CA VAL A 126 3.304 -13.808 3.006 1.00 0.84 C ATOM 2084 C VAL A 126 4.677 -14.004 3.664 1.00 0.99 C ATOM 2085 O VAL A 126 5.014 -15.113 4.081 1.00 1.53 O ATOM 2086 CB VAL A 126 3.415 -14.162 1.507 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.039 -14.355 0.889 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.182 -13.080 0.756 1.00 0.98 C ATOM 0 H VAL A 126 2.375 -12.069 2.319 1.00 0.71 H new ATOM 0 HA VAL A 126 2.597 -14.471 3.504 1.00 0.84 H new ATOM 0 HB VAL A 126 3.962 -15.101 1.424 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.146 -14.603 -0.167 1.00 1.38 H new ATOM 0 HG12 VAL A 126 1.520 -15.165 1.402 1.00 1.38 H new ATOM 0 HG13 VAL A 126 1.463 -13.435 0.989 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.250 -13.347 -0.299 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.660 -12.128 0.856 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.185 -12.990 1.173 1.00 0.98 H new