USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=27 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 -37:sc= 1.67 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -126:sc= 1.54 (180deg=-0.00255) USER MOD Set 1.3: A 57 THR OG1 : rot 53:sc= 0.325 USER MOD Set 2.1: A 34 LYS NZ :NH3+ 175:sc= 2.17 (180deg=0.807) USER MOD Set 2.2: A 111 GLN : amide:sc= 0.262 K(o=2.4,f=-8.2!) USER MOD Set 3.1: A 17 SER OG : rot 98:sc= 0.174 USER MOD Set 3.2: A 20 GLN : amide:sc= -1.21 K(o=-1,f=-0.0075) USER MOD Set 4.1: A 4 THR OG1 : rot -81:sc= 0.585 USER MOD Set 4.2: A 7 SER OG : rot 96:sc= 0.612 USER MOD Single : A 8 SER OG : rot 72:sc= 0.684 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 12 HIS : no HD1:sc= 0.629 K(o=0.63,f=-6.7!) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc=-0.00897 (180deg=-0.156) USER MOD Single : A 18 GLN : amide:sc= -0.289 K(o=-0.29,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ -124:sc= 0.26 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -124:sc= -0.344 (180deg=-1.08) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 1.01 (180deg=0.899) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot -100:sc= 0.147 USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 1.26 (180deg=0.991) USER MOD Single : A 59 HIS : no HD1:sc= 0.907 K(o=0.91,f=-3.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0.844 (180deg=0.428) USER MOD Single : A 70 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.33) USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= 0.173 (180deg=-0.653!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc=-0.00961 (180deg=-0.168) USER MOD Single : A 86 SER OG : rot -85:sc= 1.3 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0646 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00404) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot -6:sc= 0.971 USER MOD Single : A 109 LYS NZ :NH3+ 171:sc=-0.00737 (180deg=-0.133) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -167:sc= 1.15 (180deg=1) USER MOD Single : A 122 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.07) USER MOD Single : A 124 TYR OH : rot 67:sc= 0.714 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -3.565 4.721 -10.094 1.00 1.08 N ATOM 106 CA PHE A 3 -3.205 4.057 -8.843 1.00 0.89 C ATOM 107 C PHE A 3 -2.437 5.012 -7.937 1.00 0.90 C ATOM 108 O PHE A 3 -1.413 4.654 -7.352 1.00 1.22 O ATOM 109 CB PHE A 3 -2.382 2.788 -9.107 1.00 0.94 C ATOM 110 CG PHE A 3 -3.073 1.804 -10.010 1.00 0.86 C ATOM 111 CD1 PHE A 3 -4.123 1.033 -9.543 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.673 1.658 -11.329 1.00 0.97 C ATOM 113 CE1 PHE A 3 -4.762 0.133 -10.373 1.00 0.97 C ATOM 114 CE2 PHE A 3 -3.308 0.760 -12.164 1.00 0.99 C ATOM 115 CZ PHE A 3 -4.353 -0.005 -11.685 1.00 0.96 C ATOM 0 HA PHE A 3 -4.126 3.762 -8.340 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -1.427 3.069 -9.552 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -2.160 2.303 -8.156 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -4.446 1.136 -8.518 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.855 2.253 -11.708 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -5.581 -0.462 -9.997 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -2.988 0.656 -13.190 1.00 0.99 H new ATOM 0 HZ PHE A 3 -4.850 -0.710 -12.335 1.00 0.96 H new ATOM 125 N THR A 4 -2.930 6.238 -7.840 1.00 0.74 N ATOM 126 CA THR A 4 -2.308 7.242 -6.999 1.00 0.76 C ATOM 127 C THR A 4 -2.921 7.254 -5.603 1.00 0.71 C ATOM 128 O THR A 4 -3.905 6.552 -5.333 1.00 0.76 O ATOM 129 CB THR A 4 -2.417 8.642 -7.630 1.00 0.77 C ATOM 130 OG1 THR A 4 -3.678 8.780 -8.294 1.00 0.68 O ATOM 131 CG2 THR A 4 -1.282 8.887 -8.611 1.00 0.96 C ATOM 0 H THR A 4 -3.761 6.559 -8.336 1.00 0.74 H new ATOM 0 HA THR A 4 -1.254 6.979 -6.912 1.00 0.76 H new ATOM 0 HB THR A 4 -2.345 9.384 -6.834 1.00 0.77 H new ATOM 0 HG1 THR A 4 -3.630 8.360 -9.178 1.00 0.68 H new ATOM 0 HG21 THR A 4 -1.383 9.883 -9.042 1.00 0.96 H new ATOM 0 HG22 THR A 4 -0.328 8.812 -8.089 1.00 0.96 H new ATOM 0 HG23 THR A 4 -1.321 8.142 -9.406 1.00 0.96 H new ATOM 139 N LEU A 5 -2.346 8.046 -4.715 1.00 0.74 N ATOM 140 CA LEU A 5 -2.784 8.073 -3.331 1.00 0.77 C ATOM 141 C LEU A 5 -4.078 8.851 -3.160 1.00 0.67 C ATOM 142 O LEU A 5 -4.894 8.500 -2.316 1.00 0.73 O ATOM 143 CB LEU A 5 -1.705 8.682 -2.438 1.00 0.91 C ATOM 144 CG LEU A 5 -0.354 7.974 -2.477 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.605 8.633 -1.506 1.00 1.67 C ATOM 146 CD2 LEU A 5 -0.511 6.495 -2.153 1.00 1.67 C ATOM 0 H LEU A 5 -1.575 8.679 -4.928 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.965 7.040 -3.035 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -1.560 9.723 -2.728 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -2.066 8.685 -1.410 1.00 0.91 H new ATOM 0 HG LEU A 5 0.054 8.057 -3.484 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.567 8.121 -1.541 1.00 1.67 H new ATOM 0 HD12 LEU A 5 0.740 9.679 -1.782 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.198 8.574 -0.496 1.00 1.67 H new ATOM 0 HD21 LEU A 5 0.464 6.010 -2.186 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -0.937 6.384 -1.156 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -1.173 6.031 -2.884 1.00 1.67 H new ATOM 158 N GLU A 6 -4.304 9.862 -3.998 1.00 0.60 N ATOM 159 CA GLU A 6 -5.613 10.502 -4.065 1.00 0.58 C ATOM 160 C GLU A 6 -6.602 9.466 -4.573 1.00 0.59 C ATOM 161 O GLU A 6 -7.690 9.371 -4.007 1.00 0.61 O ATOM 162 CB GLU A 6 -5.578 11.732 -4.971 1.00 0.62 C ATOM 163 CG GLU A 6 -4.643 12.818 -4.462 1.00 0.87 C ATOM 164 CD GLU A 6 -4.702 14.079 -5.294 1.00 1.35 C ATOM 165 OE1 GLU A 6 -5.669 14.855 -5.136 1.00 1.68 O ATOM 166 OE2 GLU A 6 -3.787 14.295 -6.116 1.00 1.80 O ATOM 0 H GLU A 6 -3.606 10.250 -4.632 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.915 10.855 -3.079 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.266 11.431 -5.971 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.585 12.140 -5.060 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -4.899 13.057 -3.430 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.621 12.439 -4.457 1.00 0.87 H new ATOM 173 N SER A 7 -6.299 8.697 -5.607 1.00 0.59 N ATOM 174 CA SER A 7 -7.207 7.640 -6.042 1.00 0.63 C ATOM 175 C SER A 7 -7.542 6.660 -4.909 1.00 0.62 C ATOM 176 O SER A 7 -8.541 5.944 -4.981 1.00 0.78 O ATOM 177 CB SER A 7 -6.606 6.884 -7.222 1.00 0.67 C ATOM 178 OG SER A 7 -6.440 7.740 -8.337 1.00 1.14 O ATOM 0 H SER A 7 -5.444 8.780 -6.156 1.00 0.59 H new ATOM 0 HA SER A 7 -8.138 8.118 -6.348 1.00 0.63 H new ATOM 0 HB2 SER A 7 -5.643 6.461 -6.936 1.00 0.67 H new ATOM 0 HB3 SER A 7 -7.253 6.049 -7.492 1.00 0.67 H new ATOM 0 HG SER A 7 -5.523 8.086 -8.350 1.00 1.14 H new ATOM 184 N SER A 8 -6.720 6.627 -3.864 1.00 0.53 N ATOM 185 CA SER A 8 -6.917 5.685 -2.775 1.00 0.52 C ATOM 186 C SER A 8 -7.622 6.266 -1.537 1.00 0.48 C ATOM 187 O SER A 8 -8.100 5.508 -0.700 1.00 0.48 O ATOM 188 CB SER A 8 -5.591 5.057 -2.373 1.00 0.57 C ATOM 189 OG SER A 8 -4.921 4.521 -3.503 1.00 1.02 O ATOM 0 H SER A 8 -5.914 7.242 -3.751 1.00 0.53 H new ATOM 0 HA SER A 8 -7.595 4.928 -3.170 1.00 0.52 H new ATOM 0 HB2 SER A 8 -4.961 5.805 -1.893 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.765 4.269 -1.641 1.00 0.57 H new ATOM 0 HG SER A 8 -4.580 5.253 -4.059 1.00 1.02 H new ATOM 195 N LEU A 9 -7.628 7.599 -1.384 1.00 0.47 N ATOM 196 CA LEU A 9 -7.948 8.245 -0.103 1.00 0.46 C ATOM 197 C LEU A 9 -9.268 7.864 0.555 1.00 0.46 C ATOM 198 O LEU A 9 -9.400 7.880 1.778 1.00 0.42 O ATOM 199 CB LEU A 9 -7.859 9.745 -0.259 1.00 0.49 C ATOM 200 CG LEU A 9 -6.470 10.231 -0.623 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.533 11.680 -1.023 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.496 10.006 0.528 1.00 0.78 C ATOM 0 H LEU A 9 -7.413 8.253 -2.137 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.198 7.859 0.587 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.561 10.065 -1.029 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -8.169 10.219 0.672 1.00 0.49 H new ATOM 0 HG LEU A 9 -6.099 9.656 -1.471 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.534 12.029 -1.285 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -7.193 11.792 -1.883 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.917 12.271 -0.191 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.506 10.363 0.242 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.839 10.552 1.407 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.445 8.942 0.759 1.00 0.78 H new ATOM 214 N ASP A 10 -10.251 7.578 -0.284 1.00 0.51 N ATOM 215 CA ASP A 10 -11.550 7.122 0.195 1.00 0.53 C ATOM 216 C ASP A 10 -11.691 5.623 0.039 1.00 0.54 C ATOM 217 O ASP A 10 -12.732 5.053 0.372 1.00 0.57 O ATOM 218 CB ASP A 10 -12.689 7.812 -0.566 1.00 0.57 C ATOM 219 CG ASP A 10 -12.846 9.274 -0.209 1.00 0.78 C ATOM 220 OD1 ASP A 10 -13.337 9.573 0.901 1.00 0.77 O ATOM 221 OD2 ASP A 10 -12.513 10.137 -1.050 1.00 1.32 O ATOM 0 H ASP A 10 -10.176 7.653 -1.299 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.613 7.381 1.252 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.507 7.724 -1.637 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.624 7.292 -0.358 1.00 0.57 H new ATOM 226 N THR A 11 -10.660 4.980 -0.474 1.00 0.54 N ATOM 227 CA THR A 11 -10.693 3.552 -0.685 1.00 0.56 C ATOM 228 C THR A 11 -9.551 2.836 0.039 1.00 0.53 C ATOM 229 O THR A 11 -9.609 2.600 1.245 1.00 0.53 O ATOM 230 CB THR A 11 -10.667 3.203 -2.188 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.648 3.965 -2.850 1.00 0.59 O ATOM 232 CG2 THR A 11 -12.016 3.480 -2.834 1.00 0.69 C ATOM 0 H THR A 11 -9.787 5.429 -0.752 1.00 0.54 H new ATOM 0 HA THR A 11 -11.633 3.199 -0.261 1.00 0.56 H new ATOM 0 HB THR A 11 -10.448 2.140 -2.287 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.636 3.737 -3.803 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.971 3.226 -3.893 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.783 2.877 -2.348 1.00 0.69 H new ATOM 0 HG23 THR A 11 -12.262 4.536 -2.724 1.00 0.69 H new ATOM 240 N HIS A 12 -8.508 2.512 -0.716 1.00 0.51 N ATOM 241 CA HIS A 12 -7.380 1.756 -0.178 1.00 0.49 C ATOM 242 C HIS A 12 -6.693 2.487 0.978 1.00 0.43 C ATOM 243 O HIS A 12 -6.347 1.866 1.980 1.00 0.43 O ATOM 244 CB HIS A 12 -6.382 1.408 -1.281 1.00 0.49 C ATOM 245 CG HIS A 12 -7.006 0.663 -2.419 1.00 0.57 C ATOM 246 ND1 HIS A 12 -7.741 -0.492 -2.248 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.033 0.932 -3.744 1.00 0.90 C ATOM 248 CE1 HIS A 12 -8.192 -0.898 -3.421 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.777 -0.052 -4.341 1.00 0.66 N ATOM 0 H HIS A 12 -8.418 2.760 -1.701 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.779 0.827 0.228 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.931 2.326 -1.658 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.577 0.807 -0.859 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -6.557 1.766 -4.239 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -8.798 -1.775 -3.596 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -7.977 -0.119 -5.339 1.00 0.66 H new ATOM 258 N LEU A 13 -6.498 3.796 0.859 1.00 0.40 N ATOM 259 CA LEU A 13 -5.670 4.521 1.819 1.00 0.36 C ATOM 260 C LEU A 13 -6.507 5.371 2.772 1.00 0.34 C ATOM 261 O LEU A 13 -6.036 6.348 3.350 1.00 0.32 O ATOM 262 CB LEU A 13 -4.642 5.399 1.092 1.00 0.34 C ATOM 263 CG LEU A 13 -3.303 4.716 0.749 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.657 4.127 1.993 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.478 3.632 -0.300 1.00 0.84 C ATOM 0 H LEU A 13 -6.896 4.372 0.117 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.145 3.776 2.416 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.091 5.762 0.167 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.435 6.272 1.711 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.649 5.486 0.340 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.714 3.651 1.723 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.469 4.921 2.716 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.324 3.386 2.433 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.512 3.174 -0.515 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -4.165 2.872 0.073 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.883 4.070 -1.212 1.00 0.84 H new ATOM 277 N LYS A 14 -7.760 4.965 2.933 1.00 0.38 N ATOM 278 CA LYS A 14 -8.713 5.714 3.737 1.00 0.38 C ATOM 279 C LYS A 14 -8.452 5.546 5.232 1.00 0.35 C ATOM 280 O LYS A 14 -9.004 6.270 6.062 1.00 0.36 O ATOM 281 CB LYS A 14 -10.143 5.298 3.394 1.00 0.45 C ATOM 282 CG LYS A 14 -10.520 3.897 3.838 1.00 0.64 C ATOM 283 CD LYS A 14 -11.896 3.522 3.320 1.00 0.67 C ATOM 284 CE LYS A 14 -12.338 2.164 3.831 1.00 1.26 C ATOM 285 NZ LYS A 14 -12.572 2.175 5.300 1.00 1.69 N ATOM 0 H LYS A 14 -8.140 4.116 2.514 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.584 6.770 3.499 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.833 6.007 3.851 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.279 5.371 2.315 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.782 3.183 3.473 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.508 3.839 4.926 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.618 4.279 3.626 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -11.885 3.514 2.230 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -13.253 1.863 3.320 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -11.579 1.420 3.590 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -13.077 1.309 5.578 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -11.659 2.218 5.797 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -13.144 3.006 5.554 1.00 1.69 H new ATOM 299 N TRP A 15 -7.607 4.577 5.566 1.00 0.34 N ATOM 300 CA TRP A 15 -7.232 4.331 6.952 1.00 0.33 C ATOM 301 C TRP A 15 -6.212 5.367 7.426 1.00 0.29 C ATOM 302 O TRP A 15 -5.878 5.424 8.607 1.00 0.29 O ATOM 303 CB TRP A 15 -6.648 2.925 7.109 1.00 0.35 C ATOM 304 CG TRP A 15 -5.472 2.680 6.219 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.511 2.225 4.939 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.087 2.875 6.539 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.240 2.135 4.431 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.346 2.525 5.396 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.403 3.316 7.676 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -1.955 2.597 5.357 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.022 3.387 7.637 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.313 3.031 6.484 1.00 0.30 C ATOM 0 H TRP A 15 -7.168 3.948 4.893 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.130 4.413 7.564 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.349 2.775 8.147 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.422 2.189 6.891 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.412 1.971 4.400 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -3.999 1.828 3.489 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -3.943 3.596 8.568 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.404 2.320 4.470 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.482 3.723 8.510 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.235 3.101 6.484 1.00 0.30 H new ATOM 323 N LEU A 16 -5.719 6.183 6.502 1.00 0.28 N ATOM 324 CA LEU A 16 -4.850 7.293 6.859 1.00 0.26 C ATOM 325 C LEU A 16 -5.699 8.400 7.475 1.00 0.27 C ATOM 326 O LEU A 16 -6.876 8.561 7.155 1.00 0.31 O ATOM 327 CB LEU A 16 -4.128 7.845 5.624 1.00 0.25 C ATOM 328 CG LEU A 16 -3.215 6.868 4.869 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.905 7.427 3.495 1.00 0.26 C ATOM 330 CD2 LEU A 16 -1.911 6.619 5.623 1.00 0.30 C ATOM 0 H LEU A 16 -5.907 6.096 5.503 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.101 6.940 7.568 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.880 8.217 4.928 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.529 8.701 5.934 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.739 5.917 4.780 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.257 6.734 2.958 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.833 7.561 2.939 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.402 8.388 3.598 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.291 5.923 5.058 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.377 7.561 5.748 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.132 6.195 6.602 1.00 0.30 H new ATOM 342 N SER A 17 -5.068 9.146 8.360 1.00 0.27 N ATOM 343 CA SER A 17 -5.715 10.297 8.971 1.00 0.30 C ATOM 344 C SER A 17 -5.695 11.471 7.998 1.00 0.33 C ATOM 345 O SER A 17 -4.886 11.472 7.070 1.00 0.34 O ATOM 346 CB SER A 17 -5.005 10.665 10.269 1.00 0.31 C ATOM 347 OG SER A 17 -4.803 9.519 11.080 1.00 1.24 O ATOM 0 H SER A 17 -4.112 8.979 8.673 1.00 0.27 H new ATOM 0 HA SER A 17 -6.751 10.050 9.203 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.045 11.129 10.044 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.595 11.402 10.814 1.00 0.31 H new ATOM 0 HG SER A 17 -3.889 9.188 10.956 1.00 1.24 H new ATOM 353 N GLN A 18 -6.567 12.457 8.185 1.00 0.36 N ATOM 354 CA GLN A 18 -6.610 13.605 7.279 1.00 0.41 C ATOM 355 C GLN A 18 -5.236 14.263 7.217 1.00 0.41 C ATOM 356 O GLN A 18 -4.728 14.545 6.132 1.00 0.42 O ATOM 357 CB GLN A 18 -7.685 14.609 7.709 1.00 0.47 C ATOM 358 CG GLN A 18 -7.801 15.817 6.792 1.00 1.19 C ATOM 359 CD GLN A 18 -8.017 15.440 5.336 1.00 1.41 C ATOM 360 OE1 GLN A 18 -8.600 14.396 5.026 1.00 1.90 O ATOM 361 NE2 GLN A 18 -7.552 16.286 4.432 1.00 1.91 N ATOM 0 H GLN A 18 -7.246 12.487 8.945 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.876 13.254 6.282 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -8.648 14.101 7.748 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.465 14.952 8.720 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -8.629 16.442 7.126 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -6.895 16.418 6.875 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -7.076 17.138 4.728 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -7.669 16.086 3.439 1.00 1.91 H new ATOM 370 N GLU A 19 -4.637 14.488 8.382 1.00 0.41 N ATOM 371 CA GLU A 19 -3.328 15.090 8.459 1.00 0.42 C ATOM 372 C GLU A 19 -2.308 14.253 7.690 1.00 0.40 C ATOM 373 O GLU A 19 -1.364 14.795 7.125 1.00 0.42 O ATOM 374 CB GLU A 19 -2.921 15.234 9.913 1.00 0.41 C ATOM 375 CG GLU A 19 -3.731 16.267 10.671 1.00 1.18 C ATOM 376 CD GLU A 19 -3.209 16.492 12.073 1.00 1.79 C ATOM 377 OE1 GLU A 19 -3.571 15.708 12.979 1.00 2.49 O ATOM 378 OE2 GLU A 19 -2.438 17.452 12.277 1.00 2.01 O ATOM 0 H GLU A 19 -5.048 14.258 9.287 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.361 16.079 8.002 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -3.025 14.268 10.408 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -1.866 15.505 9.961 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.715 17.210 10.124 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -4.771 15.945 10.721 1.00 1.18 H new ATOM 385 N GLN A 20 -2.487 12.938 7.675 1.00 0.37 N ATOM 386 CA GLN A 20 -1.584 12.064 6.934 1.00 0.36 C ATOM 387 C GLN A 20 -1.865 12.184 5.442 1.00 0.38 C ATOM 388 O GLN A 20 -0.938 12.234 4.641 1.00 0.41 O ATOM 389 CB GLN A 20 -1.720 10.613 7.397 1.00 0.33 C ATOM 390 CG GLN A 20 -1.327 10.409 8.853 1.00 0.37 C ATOM 391 CD GLN A 20 -1.521 8.981 9.337 1.00 0.77 C ATOM 392 OE1 GLN A 20 -1.809 8.750 10.506 1.00 1.57 O ATOM 393 NE2 GLN A 20 -1.355 8.014 8.451 1.00 1.04 N ATOM 0 H GLN A 20 -3.242 12.456 8.163 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.558 12.376 7.128 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.751 10.289 7.257 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.098 9.977 6.767 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.282 10.690 8.982 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -1.917 11.080 9.478 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -1.116 8.242 7.486 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -1.466 7.040 8.732 1.00 1.04 H new ATOM 402 N LYS A 21 -3.141 12.229 5.073 1.00 0.38 N ATOM 403 CA LYS A 21 -3.527 12.414 3.679 1.00 0.42 C ATOM 404 C LYS A 21 -2.961 13.723 3.143 1.00 0.42 C ATOM 405 O LYS A 21 -2.227 13.733 2.164 1.00 0.43 O ATOM 406 CB LYS A 21 -5.051 12.412 3.538 1.00 0.47 C ATOM 407 CG LYS A 21 -5.705 11.109 3.971 1.00 0.56 C ATOM 408 CD LYS A 21 -7.214 11.166 3.803 1.00 0.54 C ATOM 409 CE LYS A 21 -7.864 9.841 4.162 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.347 9.915 4.088 1.00 0.95 N ATOM 0 H LYS A 21 -3.925 12.140 5.720 1.00 0.38 H new ATOM 0 HA LYS A 21 -3.120 11.586 3.099 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.463 13.229 4.131 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.311 12.610 2.498 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.302 10.284 3.383 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.460 10.906 5.014 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.622 11.955 4.434 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.457 11.424 2.772 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.505 9.065 3.486 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.564 9.550 5.169 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.755 9.631 5.002 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.635 10.890 3.868 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.690 9.276 3.343 1.00 0.95 H new ATOM 424 N ASP A 22 -3.260 14.812 3.834 1.00 0.44 N ATOM 425 CA ASP A 22 -2.792 16.141 3.441 1.00 0.46 C ATOM 426 C ASP A 22 -1.276 16.205 3.488 1.00 0.46 C ATOM 427 O ASP A 22 -0.670 16.972 2.742 1.00 0.48 O ATOM 428 CB ASP A 22 -3.351 17.190 4.404 1.00 0.49 C ATOM 429 CG ASP A 22 -3.031 18.607 3.966 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.648 19.088 2.991 1.00 0.67 O ATOM 431 OD2 ASP A 22 -2.177 19.257 4.604 1.00 0.64 O ATOM 0 H ASP A 22 -3.831 14.805 4.679 1.00 0.44 H new ATOM 0 HA ASP A 22 -3.134 16.339 2.425 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.432 17.071 4.479 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.942 17.019 5.400 1.00 0.49 H new ATOM 436 N GLU A 23 -0.652 15.406 4.329 1.00 0.44 N ATOM 437 CA GLU A 23 0.784 15.325 4.348 1.00 0.45 C ATOM 438 C GLU A 23 1.301 14.584 3.115 1.00 0.42 C ATOM 439 O GLU A 23 2.267 15.030 2.501 1.00 0.44 O ATOM 440 CB GLU A 23 1.241 14.675 5.648 1.00 0.47 C ATOM 441 CG GLU A 23 2.437 13.775 5.500 1.00 0.71 C ATOM 442 CD GLU A 23 3.045 13.415 6.833 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.340 12.804 7.668 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.228 13.745 7.058 1.00 1.40 O ATOM 0 H GLU A 23 -1.122 14.805 5.006 1.00 0.44 H new ATOM 0 HA GLU A 23 1.207 16.329 4.309 1.00 0.45 H new ATOM 0 HB2 GLU A 23 1.476 15.458 6.369 1.00 0.47 H new ATOM 0 HB3 GLU A 23 0.415 14.097 6.062 1.00 0.47 H new ATOM 0 HG2 GLU A 23 2.142 12.864 4.979 1.00 0.71 H new ATOM 0 HG3 GLU A 23 3.187 14.268 4.881 1.00 0.71 H new ATOM 451 N LEU A 24 0.670 13.478 2.727 1.00 0.40 N ATOM 452 CA LEU A 24 1.089 12.744 1.538 1.00 0.39 C ATOM 453 C LEU A 24 0.837 13.583 0.284 1.00 0.39 C ATOM 454 O LEU A 24 1.695 13.673 -0.592 1.00 0.41 O ATOM 455 CB LEU A 24 0.361 11.398 1.451 1.00 0.38 C ATOM 456 CG LEU A 24 0.564 10.471 2.655 1.00 0.50 C ATOM 457 CD1 LEU A 24 -0.168 9.162 2.453 1.00 1.16 C ATOM 458 CD2 LEU A 24 2.038 10.206 2.899 1.00 1.33 C ATOM 0 H LEU A 24 -0.128 13.073 3.216 1.00 0.40 H new ATOM 0 HA LEU A 24 2.158 12.544 1.609 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.706 11.586 1.333 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.695 10.879 0.552 1.00 0.38 H new ATOM 0 HG LEU A 24 0.154 10.974 3.531 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -0.010 8.519 3.319 1.00 1.16 H new ATOM 0 HD12 LEU A 24 -1.234 9.356 2.334 1.00 1.16 H new ATOM 0 HD13 LEU A 24 0.212 8.667 1.560 1.00 1.16 H new ATOM 0 HD21 LEU A 24 2.152 9.546 3.759 1.00 1.33 H new ATOM 0 HD22 LEU A 24 2.473 9.733 2.019 1.00 1.33 H new ATOM 0 HD23 LEU A 24 2.549 11.148 3.095 1.00 1.33 H new ATOM 470 N LEU A 25 -0.348 14.180 0.196 1.00 0.40 N ATOM 471 CA LEU A 25 -0.650 15.176 -0.815 1.00 0.43 C ATOM 472 C LEU A 25 0.403 16.282 -0.844 1.00 0.46 C ATOM 473 O LEU A 25 0.841 16.698 -1.914 1.00 0.48 O ATOM 474 CB LEU A 25 -2.038 15.750 -0.552 1.00 0.45 C ATOM 475 CG LEU A 25 -3.188 14.903 -1.093 1.00 0.49 C ATOM 476 CD1 LEU A 25 -3.184 13.495 -0.525 1.00 1.02 C ATOM 477 CD2 LEU A 25 -4.524 15.582 -0.840 1.00 1.06 C ATOM 0 H LEU A 25 -1.124 13.983 0.827 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.635 14.699 -1.795 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -2.169 15.873 0.523 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.096 16.744 -0.995 1.00 0.45 H new ATOM 0 HG LEU A 25 -3.040 14.814 -2.169 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -4.021 12.933 -0.940 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -2.249 13.000 -0.786 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -3.280 13.540 0.560 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -5.328 14.961 -1.234 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -4.664 15.721 0.232 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -4.539 16.552 -1.337 1.00 1.06 H new ATOM 489 N LYS A 26 0.824 16.733 0.331 1.00 0.47 N ATOM 490 CA LYS A 26 1.841 17.770 0.435 1.00 0.51 C ATOM 491 C LYS A 26 3.153 17.257 -0.129 1.00 0.49 C ATOM 492 O LYS A 26 3.825 17.946 -0.894 1.00 0.51 O ATOM 493 CB LYS A 26 2.018 18.194 1.893 1.00 0.56 C ATOM 494 CG LYS A 26 2.949 19.377 2.083 1.00 0.93 C ATOM 495 CD LYS A 26 3.075 19.755 3.548 1.00 1.62 C ATOM 496 CE LYS A 26 3.623 18.606 4.375 1.00 2.50 C ATOM 497 NZ LYS A 26 3.900 19.009 5.779 1.00 3.24 N ATOM 0 H LYS A 26 0.475 16.395 1.228 1.00 0.47 H new ATOM 0 HA LYS A 26 1.524 18.640 -0.140 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.042 18.442 2.309 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.402 17.348 2.463 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.933 19.135 1.683 1.00 0.93 H new ATOM 0 HG3 LYS A 26 2.576 20.230 1.517 1.00 0.93 H new ATOM 0 HD2 LYS A 26 3.731 20.620 3.646 1.00 1.62 H new ATOM 0 HD3 LYS A 26 2.099 20.049 3.934 1.00 1.62 H new ATOM 0 HE2 LYS A 26 2.909 17.783 4.369 1.00 2.50 H new ATOM 0 HE3 LYS A 26 4.540 18.236 3.917 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 4.272 18.194 6.307 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 4.601 19.777 5.788 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 3.020 19.338 6.226 1.00 3.24 H new ATOM 511 N MET A 27 3.498 16.038 0.251 1.00 0.47 N ATOM 512 CA MET A 27 4.677 15.370 -0.268 1.00 0.47 C ATOM 513 C MET A 27 4.657 15.306 -1.792 1.00 0.47 C ATOM 514 O MET A 27 5.592 15.756 -2.456 1.00 0.49 O ATOM 515 CB MET A 27 4.767 13.958 0.306 1.00 0.49 C ATOM 516 CG MET A 27 4.994 13.917 1.807 1.00 0.50 C ATOM 517 SD MET A 27 6.739 13.935 2.255 1.00 0.92 S ATOM 518 CE MET A 27 7.255 12.354 1.593 1.00 0.79 C ATOM 0 H MET A 27 2.969 15.486 0.926 1.00 0.47 H new ATOM 0 HA MET A 27 5.551 15.947 0.035 1.00 0.47 H new ATOM 0 HB2 MET A 27 3.847 13.422 0.073 1.00 0.49 H new ATOM 0 HB3 MET A 27 5.580 13.426 -0.189 1.00 0.49 H new ATOM 0 HG2 MET A 27 4.497 14.771 2.268 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.529 13.020 2.215 1.00 0.50 H new ATOM 0 HE1 MET A 27 7.708 11.758 2.385 1.00 0.79 H new ATOM 0 HE2 MET A 27 6.389 11.827 1.193 1.00 0.79 H new ATOM 0 HE3 MET A 27 7.982 12.513 0.797 1.00 0.79 H new ATOM 528 N LYS A 28 3.572 14.765 -2.338 1.00 0.45 N ATOM 529 CA LYS A 28 3.400 14.627 -3.777 1.00 0.49 C ATOM 530 C LYS A 28 3.476 15.978 -4.490 1.00 0.54 C ATOM 531 O LYS A 28 4.103 16.096 -5.543 1.00 0.58 O ATOM 532 CB LYS A 28 2.052 13.956 -4.059 1.00 0.50 C ATOM 533 CG LYS A 28 2.140 12.459 -4.314 1.00 0.79 C ATOM 534 CD LYS A 28 2.616 12.160 -5.728 1.00 1.41 C ATOM 535 CE LYS A 28 1.592 12.606 -6.765 1.00 1.82 C ATOM 536 NZ LYS A 28 2.072 12.397 -8.155 1.00 2.44 N ATOM 0 H LYS A 28 2.787 14.410 -1.792 1.00 0.45 H new ATOM 0 HA LYS A 28 4.212 14.011 -4.163 1.00 0.49 H new ATOM 0 HB2 LYS A 28 1.388 14.130 -3.212 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.595 14.434 -4.926 1.00 0.50 H new ATOM 0 HG2 LYS A 28 2.824 12.006 -3.596 1.00 0.79 H new ATOM 0 HG3 LYS A 28 1.163 12.004 -4.154 1.00 0.79 H new ATOM 0 HD2 LYS A 28 3.564 12.667 -5.909 1.00 1.41 H new ATOM 0 HD3 LYS A 28 2.801 11.091 -5.833 1.00 1.41 H new ATOM 0 HE2 LYS A 28 0.664 12.055 -6.617 1.00 1.82 H new ATOM 0 HE3 LYS A 28 1.363 13.661 -6.616 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 1.343 12.714 -8.825 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 2.944 12.943 -8.307 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 2.266 11.387 -8.307 1.00 2.44 H new ATOM 550 N LYS A 29 2.850 16.993 -3.908 1.00 0.55 N ATOM 551 CA LYS A 29 2.833 18.324 -4.509 1.00 0.62 C ATOM 552 C LYS A 29 4.181 19.029 -4.381 1.00 0.64 C ATOM 553 O LYS A 29 4.543 19.842 -5.232 1.00 0.72 O ATOM 554 CB LYS A 29 1.731 19.189 -3.892 1.00 0.62 C ATOM 555 CG LYS A 29 0.317 18.694 -4.179 1.00 1.13 C ATOM 556 CD LYS A 29 0.034 18.589 -5.675 1.00 1.57 C ATOM 557 CE LYS A 29 0.217 19.923 -6.382 1.00 2.08 C ATOM 558 NZ LYS A 29 -0.083 19.829 -7.835 1.00 2.69 N ATOM 0 H LYS A 29 2.348 16.922 -3.023 1.00 0.55 H new ATOM 0 HA LYS A 29 2.627 18.187 -5.571 1.00 0.62 H new ATOM 0 HB2 LYS A 29 1.878 19.230 -2.813 1.00 0.62 H new ATOM 0 HB3 LYS A 29 1.831 20.208 -4.267 1.00 0.62 H new ATOM 0 HG2 LYS A 29 0.175 17.718 -3.715 1.00 1.13 H new ATOM 0 HG3 LYS A 29 -0.403 19.372 -3.722 1.00 1.13 H new ATOM 0 HD2 LYS A 29 0.699 17.849 -6.119 1.00 1.57 H new ATOM 0 HD3 LYS A 29 -0.985 18.234 -5.828 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -0.434 20.668 -5.925 1.00 2.08 H new ATOM 0 HE3 LYS A 29 1.242 20.268 -6.245 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 0.054 20.760 -8.279 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 0.555 19.137 -8.277 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -1.069 19.524 -7.967 1.00 2.69 H new ATOM 572 N ASP A 30 4.933 18.716 -3.339 1.00 0.62 N ATOM 573 CA ASP A 30 6.217 19.376 -3.125 1.00 0.66 C ATOM 574 C ASP A 30 7.326 18.682 -3.915 1.00 0.65 C ATOM 575 O ASP A 30 8.476 19.113 -3.935 1.00 0.69 O ATOM 576 CB ASP A 30 6.559 19.431 -1.633 1.00 0.67 C ATOM 577 CG ASP A 30 7.817 20.225 -1.345 1.00 1.33 C ATOM 578 OD1 ASP A 30 7.784 21.468 -1.489 1.00 1.32 O ATOM 579 OD2 ASP A 30 8.842 19.616 -0.977 1.00 2.14 O ATOM 0 H ASP A 30 4.685 18.020 -2.636 1.00 0.62 H new ATOM 0 HA ASP A 30 6.136 20.400 -3.490 1.00 0.66 H new ATOM 0 HB2 ASP A 30 5.724 19.874 -1.090 1.00 0.67 H new ATOM 0 HB3 ASP A 30 6.682 18.416 -1.256 1.00 0.67 H new ATOM 584 N GLY A 31 6.936 17.616 -4.594 1.00 0.62 N ATOM 585 CA GLY A 31 7.846 16.955 -5.503 1.00 0.62 C ATOM 586 C GLY A 31 8.633 15.860 -4.839 1.00 0.61 C ATOM 587 O GLY A 31 9.705 15.471 -5.312 1.00 0.63 O ATOM 0 H GLY A 31 6.008 17.197 -4.532 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.281 16.537 -6.337 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.534 17.690 -5.921 1.00 0.62 H new ATOM 591 N LYS A 32 8.109 15.360 -3.731 1.00 0.59 N ATOM 592 CA LYS A 32 8.681 14.200 -3.097 1.00 0.58 C ATOM 593 C LYS A 32 8.466 13.006 -4.011 1.00 0.56 C ATOM 594 O LYS A 32 7.426 12.890 -4.664 1.00 0.55 O ATOM 595 CB LYS A 32 8.043 13.941 -1.733 1.00 0.57 C ATOM 596 CG LYS A 32 8.201 15.085 -0.739 1.00 0.63 C ATOM 597 CD LYS A 32 9.658 15.419 -0.475 1.00 0.76 C ATOM 598 CE LYS A 32 9.810 16.303 0.756 1.00 1.15 C ATOM 599 NZ LYS A 32 8.994 17.543 0.672 1.00 1.65 N ATOM 0 H LYS A 32 7.290 15.744 -3.259 1.00 0.59 H new ATOM 0 HA LYS A 32 9.745 14.367 -2.931 1.00 0.58 H new ATOM 0 HB2 LYS A 32 6.981 13.742 -1.874 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.482 13.040 -1.305 1.00 0.57 H new ATOM 0 HG2 LYS A 32 7.691 15.969 -1.121 1.00 0.63 H new ATOM 0 HG3 LYS A 32 7.716 14.818 0.200 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.225 14.498 -0.336 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.080 15.925 -1.343 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.518 15.739 1.642 1.00 1.15 H new ATOM 0 HE3 LYS A 32 10.859 16.570 0.880 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 9.258 18.186 1.446 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 9.166 18.011 -0.241 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 7.986 17.301 0.752 1.00 1.65 H new ATOM 613 N ALA A 33 9.442 12.135 -4.060 1.00 0.56 N ATOM 614 CA ALA A 33 9.383 10.967 -4.920 1.00 0.55 C ATOM 615 C ALA A 33 8.351 9.987 -4.390 1.00 0.52 C ATOM 616 O ALA A 33 8.148 9.920 -3.182 1.00 0.50 O ATOM 617 CB ALA A 33 10.748 10.303 -5.010 1.00 0.59 C ATOM 0 H ALA A 33 10.298 12.209 -3.510 1.00 0.56 H new ATOM 0 HA ALA A 33 9.089 11.282 -5.921 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.685 9.429 -5.659 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.470 11.009 -5.421 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.069 9.994 -4.015 1.00 0.59 H new ATOM 623 N LYS A 34 7.701 9.235 -5.272 1.00 0.53 N ATOM 624 CA LYS A 34 6.699 8.251 -4.851 1.00 0.51 C ATOM 625 C LYS A 34 7.268 7.338 -3.764 1.00 0.51 C ATOM 626 O LYS A 34 6.559 6.945 -2.840 1.00 0.48 O ATOM 627 CB LYS A 34 6.240 7.417 -6.047 1.00 0.56 C ATOM 628 CG LYS A 34 5.185 6.379 -5.692 1.00 1.21 C ATOM 629 CD LYS A 34 4.673 5.645 -6.920 1.00 1.64 C ATOM 630 CE LYS A 34 5.811 5.077 -7.753 1.00 2.21 C ATOM 631 NZ LYS A 34 5.342 4.009 -8.671 1.00 2.97 N ATOM 0 H LYS A 34 7.846 9.284 -6.280 1.00 0.53 H new ATOM 0 HA LYS A 34 5.841 8.786 -4.444 1.00 0.51 H new ATOM 0 HB2 LYS A 34 5.841 8.082 -6.813 1.00 0.56 H new ATOM 0 HB3 LYS A 34 7.103 6.913 -6.481 1.00 0.56 H new ATOM 0 HG2 LYS A 34 5.606 5.660 -4.989 1.00 1.21 H new ATOM 0 HG3 LYS A 34 4.351 6.867 -5.188 1.00 1.21 H new ATOM 0 HD2 LYS A 34 4.010 4.837 -6.610 1.00 1.64 H new ATOM 0 HD3 LYS A 34 4.081 6.327 -7.530 1.00 1.64 H new ATOM 0 HE2 LYS A 34 6.272 5.877 -8.332 1.00 2.21 H new ATOM 0 HE3 LYS A 34 6.580 4.677 -7.093 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 6.128 3.706 -9.281 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 5.002 3.198 -8.115 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 4.567 4.374 -9.261 1.00 2.97 H new ATOM 645 N LYS A 35 8.551 7.026 -3.872 1.00 0.54 N ATOM 646 CA LYS A 35 9.239 6.193 -2.890 1.00 0.56 C ATOM 647 C LYS A 35 9.165 6.817 -1.486 1.00 0.53 C ATOM 648 O LYS A 35 9.209 6.112 -0.483 1.00 0.55 O ATOM 649 CB LYS A 35 10.697 5.996 -3.331 1.00 0.61 C ATOM 650 CG LYS A 35 11.440 4.873 -2.614 1.00 1.17 C ATOM 651 CD LYS A 35 11.996 5.299 -1.260 1.00 1.56 C ATOM 652 CE LYS A 35 13.030 6.407 -1.398 1.00 2.18 C ATOM 653 NZ LYS A 35 13.716 6.689 -0.109 1.00 2.82 N ATOM 0 H LYS A 35 9.145 7.341 -4.639 1.00 0.54 H new ATOM 0 HA LYS A 35 8.747 5.222 -2.836 1.00 0.56 H new ATOM 0 HB2 LYS A 35 10.713 5.796 -4.402 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.238 6.929 -3.173 1.00 0.61 H new ATOM 0 HG2 LYS A 35 10.765 4.029 -2.474 1.00 1.17 H new ATOM 0 HG3 LYS A 35 12.259 4.526 -3.244 1.00 1.17 H new ATOM 0 HD2 LYS A 35 11.180 5.640 -0.623 1.00 1.56 H new ATOM 0 HD3 LYS A 35 12.448 4.439 -0.766 1.00 1.56 H new ATOM 0 HE2 LYS A 35 13.768 6.123 -2.148 1.00 2.18 H new ATOM 0 HE3 LYS A 35 12.544 7.314 -1.757 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 14.412 7.449 -0.245 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 13.015 6.985 0.600 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 14.201 5.830 0.221 1.00 2.82 H new ATOM 667 N GLU A 36 9.014 8.136 -1.423 1.00 0.51 N ATOM 668 CA GLU A 36 8.988 8.846 -0.149 1.00 0.50 C ATOM 669 C GLU A 36 7.573 8.843 0.437 1.00 0.44 C ATOM 670 O GLU A 36 7.353 8.925 1.644 1.00 0.45 O ATOM 671 CB GLU A 36 9.485 10.278 -0.341 1.00 0.53 C ATOM 672 CG GLU A 36 10.823 10.346 -1.053 1.00 0.61 C ATOM 673 CD GLU A 36 11.384 11.750 -1.140 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.771 12.307 -0.088 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.429 12.309 -2.254 1.00 0.66 O ATOM 0 H GLU A 36 8.908 8.736 -2.241 1.00 0.51 H new ATOM 0 HA GLU A 36 9.649 8.336 0.552 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.746 10.841 -0.912 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.572 10.761 0.632 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.537 9.708 -0.532 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.712 9.943 -2.060 1.00 0.61 H new ATOM 682 N LEU A 37 6.636 8.710 -0.496 1.00 0.39 N ATOM 683 CA LEU A 37 5.248 8.484 -0.162 1.00 0.36 C ATOM 684 C LEU A 37 5.051 7.061 0.340 1.00 0.36 C ATOM 685 O LEU A 37 4.406 6.828 1.359 1.00 0.35 O ATOM 686 CB LEU A 37 4.411 8.721 -1.409 1.00 0.37 C ATOM 687 CG LEU A 37 4.276 10.172 -1.873 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.373 10.935 -0.933 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.607 10.893 -1.993 1.00 1.01 C ATOM 0 H LEU A 37 6.823 8.757 -1.498 1.00 0.39 H new ATOM 0 HA LEU A 37 4.940 9.167 0.629 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.842 8.140 -2.225 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.411 8.326 -1.229 1.00 0.37 H new ATOM 0 HG LEU A 37 3.843 10.135 -2.873 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.283 11.967 -1.272 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.387 10.471 -0.919 1.00 1.22 H new ATOM 0 HD13 LEU A 37 3.796 10.919 0.071 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.437 11.917 -2.326 1.00 1.01 H new ATOM 0 HD22 LEU A 37 6.103 10.905 -1.023 1.00 1.01 H new ATOM 0 HD23 LEU A 37 6.237 10.376 -2.716 1.00 1.01 H new ATOM 701 N GLU A 38 5.668 6.126 -0.372 1.00 0.39 N ATOM 702 CA GLU A 38 5.651 4.712 -0.015 1.00 0.43 C ATOM 703 C GLU A 38 6.395 4.495 1.298 1.00 0.43 C ATOM 704 O GLU A 38 6.224 3.499 1.986 1.00 0.45 O ATOM 705 CB GLU A 38 6.273 3.900 -1.149 1.00 0.57 C ATOM 706 CG GLU A 38 6.614 2.465 -0.786 1.00 1.35 C ATOM 707 CD GLU A 38 5.408 1.553 -0.714 1.00 2.06 C ATOM 708 OE1 GLU A 38 4.450 1.909 0.001 1.00 2.72 O ATOM 709 OE2 GLU A 38 5.408 0.503 -1.389 1.00 2.49 O ATOM 0 H GLU A 38 6.198 6.329 -1.220 1.00 0.39 H new ATOM 0 HA GLU A 38 4.624 4.377 0.128 1.00 0.43 H new ATOM 0 HB2 GLU A 38 5.584 3.893 -1.994 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.181 4.402 -1.482 1.00 0.57 H new ATOM 0 HG2 GLU A 38 7.314 2.070 -1.522 1.00 1.35 H new ATOM 0 HG3 GLU A 38 7.124 2.455 0.177 1.00 1.35 H new ATOM 716 N ALA A 39 7.169 5.486 1.674 1.00 0.43 N ATOM 717 CA ALA A 39 7.951 5.414 2.886 1.00 0.45 C ATOM 718 C ALA A 39 7.191 5.932 4.088 1.00 0.42 C ATOM 719 O ALA A 39 7.259 5.357 5.173 1.00 0.44 O ATOM 720 CB ALA A 39 9.262 6.162 2.718 1.00 0.49 C ATOM 0 H ALA A 39 7.274 6.357 1.154 1.00 0.43 H new ATOM 0 HA ALA A 39 8.166 4.362 3.071 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.839 6.097 3.641 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.832 5.718 1.902 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.057 7.208 2.490 1.00 0.49 H new ATOM 726 N LYS A 40 6.461 7.021 3.879 1.00 0.39 N ATOM 727 CA LYS A 40 5.528 7.520 4.866 1.00 0.37 C ATOM 728 C LYS A 40 4.499 6.447 5.189 1.00 0.31 C ATOM 729 O LYS A 40 4.334 6.063 6.345 1.00 0.31 O ATOM 730 CB LYS A 40 4.817 8.757 4.323 1.00 0.41 C ATOM 731 CG LYS A 40 5.677 10.006 4.263 1.00 0.79 C ATOM 732 CD LYS A 40 5.844 10.642 5.633 1.00 0.64 C ATOM 733 CE LYS A 40 6.641 11.932 5.553 1.00 0.74 C ATOM 734 NZ LYS A 40 6.659 12.659 6.848 1.00 1.34 N ATOM 0 H LYS A 40 6.503 7.576 3.024 1.00 0.39 H new ATOM 0 HA LYS A 40 6.074 7.783 5.772 1.00 0.37 H new ATOM 0 HB2 LYS A 40 4.448 8.537 3.321 1.00 0.41 H new ATOM 0 HB3 LYS A 40 3.946 8.961 4.945 1.00 0.41 H new ATOM 0 HG2 LYS A 40 6.657 9.754 3.857 1.00 0.79 H new ATOM 0 HG3 LYS A 40 5.225 10.726 3.581 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.863 10.845 6.063 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.347 9.943 6.301 1.00 0.64 H new ATOM 0 HE2 LYS A 40 7.664 11.708 5.250 1.00 0.74 H new ATOM 0 HE3 LYS A 40 6.214 12.574 4.783 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 7.214 13.533 6.748 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 5.686 12.897 7.126 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.090 12.057 7.578 1.00 1.34 H new ATOM 748 N ILE A 41 3.836 5.950 4.148 1.00 0.29 N ATOM 749 CA ILE A 41 2.778 4.968 4.294 1.00 0.26 C ATOM 750 C ILE A 41 3.273 3.716 4.997 1.00 0.27 C ATOM 751 O ILE A 41 2.659 3.267 5.954 1.00 0.27 O ATOM 752 CB ILE A 41 2.197 4.589 2.923 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.639 5.832 2.235 1.00 0.33 C ATOM 754 CG2 ILE A 41 1.116 3.531 3.075 1.00 0.33 C ATOM 755 CD1 ILE A 41 1.260 5.600 0.795 1.00 0.39 C ATOM 0 H ILE A 41 4.021 6.220 3.182 1.00 0.29 H new ATOM 0 HA ILE A 41 1.998 5.422 4.905 1.00 0.26 H new ATOM 0 HB ILE A 41 2.993 4.173 2.306 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.762 6.178 2.782 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.381 6.629 2.284 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.716 3.275 2.094 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.541 2.640 3.537 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.314 3.918 3.704 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.871 6.524 0.368 1.00 0.39 H new ATOM 0 HD12 ILE A 41 2.139 5.283 0.234 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.495 4.825 0.740 1.00 0.39 H new ATOM 767 N LEU A 42 4.384 3.160 4.531 1.00 0.31 N ATOM 768 CA LEU A 42 4.948 1.964 5.144 1.00 0.35 C ATOM 769 C LEU A 42 5.330 2.200 6.599 1.00 0.35 C ATOM 770 O LEU A 42 5.191 1.318 7.441 1.00 0.38 O ATOM 771 CB LEU A 42 6.185 1.481 4.382 1.00 0.39 C ATOM 772 CG LEU A 42 5.918 0.809 3.034 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.196 0.185 2.497 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.819 -0.241 3.151 1.00 0.40 C ATOM 0 H LEU A 42 4.911 3.516 3.734 1.00 0.31 H new ATOM 0 HA LEU A 42 4.171 1.201 5.101 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.843 2.334 4.217 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.727 0.779 5.015 1.00 0.39 H new ATOM 0 HG LEU A 42 5.578 1.572 2.334 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.993 -0.290 1.537 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.952 0.959 2.366 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.560 -0.562 3.202 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.651 -0.702 2.178 1.00 0.40 H new ATOM 0 HD22 LEU A 42 5.121 -1.005 3.867 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.898 0.232 3.492 1.00 0.40 H new ATOM 786 N HIS A 43 5.793 3.410 6.885 1.00 0.35 N ATOM 787 CA HIS A 43 6.091 3.813 8.253 1.00 0.37 C ATOM 788 C HIS A 43 4.810 3.829 9.092 1.00 0.35 C ATOM 789 O HIS A 43 4.793 3.325 10.213 1.00 0.40 O ATOM 790 CB HIS A 43 6.756 5.194 8.257 1.00 0.40 C ATOM 791 CG HIS A 43 7.340 5.599 9.575 1.00 0.49 C ATOM 792 ND1 HIS A 43 8.676 5.447 9.883 1.00 1.17 N ATOM 793 CD2 HIS A 43 6.770 6.170 10.662 1.00 1.23 C ATOM 794 CE1 HIS A 43 8.900 5.907 11.096 1.00 0.93 C ATOM 795 NE2 HIS A 43 7.763 6.352 11.591 1.00 0.92 N ATOM 0 H HIS A 43 5.971 4.131 6.186 1.00 0.35 H new ATOM 0 HA HIS A 43 6.780 3.093 8.694 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.545 5.205 7.505 1.00 0.40 H new ATOM 0 HB3 HIS A 43 6.019 5.939 7.956 1.00 0.40 H new ATOM 0 HD2 HIS A 43 5.729 6.433 10.776 1.00 1.23 H new ATOM 0 HE1 HIS A 43 9.855 5.918 11.600 1.00 0.93 H new ATOM 0 HE2 HIS A 43 7.641 6.765 12.516 1.00 0.92 H new ATOM 804 N TYR A 44 3.737 4.397 8.538 1.00 0.30 N ATOM 805 CA TYR A 44 2.453 4.459 9.232 1.00 0.30 C ATOM 806 C TYR A 44 1.864 3.062 9.381 1.00 0.32 C ATOM 807 O TYR A 44 1.334 2.696 10.429 1.00 0.40 O ATOM 808 CB TYR A 44 1.483 5.361 8.458 1.00 0.31 C ATOM 809 CG TYR A 44 2.007 6.763 8.292 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.699 7.407 9.311 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.779 7.453 7.113 1.00 0.40 C ATOM 812 CE1 TYR A 44 3.151 8.705 9.153 1.00 0.52 C ATOM 813 CE2 TYR A 44 2.217 8.741 6.946 1.00 0.50 C ATOM 814 CZ TYR A 44 3.046 9.318 8.007 1.00 0.58 C ATOM 815 OH TYR A 44 3.321 10.662 7.790 1.00 0.68 O ATOM 0 H TYR A 44 3.734 4.820 7.610 1.00 0.30 H new ATOM 0 HA TYR A 44 2.611 4.878 10.226 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.295 4.928 7.475 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.527 5.393 8.980 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.886 6.887 10.239 1.00 0.42 H new ATOM 0 HD2 TYR A 44 1.246 6.967 6.310 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.598 9.218 9.992 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.960 9.310 6.064 1.00 0.50 H new ATOM 0 HH TYR A 44 2.483 11.169 7.774 1.00 0.68 H new ATOM 825 N TYR A 45 1.989 2.294 8.313 1.00 0.30 N ATOM 826 CA TYR A 45 1.510 0.929 8.245 1.00 0.33 C ATOM 827 C TYR A 45 2.168 0.057 9.309 1.00 0.40 C ATOM 828 O TYR A 45 1.508 -0.726 9.990 1.00 0.42 O ATOM 829 CB TYR A 45 1.818 0.376 6.851 1.00 0.35 C ATOM 830 CG TYR A 45 1.496 -1.077 6.670 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.197 -1.503 6.446 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.505 -2.020 6.709 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.084 -2.838 6.265 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.236 -3.354 6.532 1.00 0.54 C ATOM 835 CZ TYR A 45 0.942 -3.762 6.310 1.00 0.53 C ATOM 836 OH TYR A 45 0.676 -5.097 6.126 1.00 0.58 O ATOM 0 H TYR A 45 2.436 2.610 7.452 1.00 0.30 H new ATOM 0 HA TYR A 45 0.436 0.918 8.430 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.259 0.953 6.114 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.876 0.529 6.640 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.604 -0.779 6.413 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.523 -1.702 6.882 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.099 -3.161 6.089 1.00 0.46 H new ATOM 0 HE2 TYR A 45 3.036 -4.079 6.567 1.00 0.54 H new ATOM 0 HH TYR A 45 -0.180 -5.321 6.548 1.00 0.58 H new ATOM 846 N ASP A 46 3.469 0.207 9.457 1.00 0.43 N ATOM 847 CA ASP A 46 4.228 -0.678 10.321 1.00 0.51 C ATOM 848 C ASP A 46 4.108 -0.253 11.785 1.00 0.53 C ATOM 849 O ASP A 46 4.495 -0.997 12.688 1.00 0.60 O ATOM 850 CB ASP A 46 5.688 -0.710 9.873 1.00 0.58 C ATOM 851 CG ASP A 46 6.367 -2.027 10.179 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.180 -2.986 9.400 1.00 1.20 O ATOM 853 OD2 ASP A 46 7.112 -2.109 11.181 1.00 1.14 O ATOM 0 H ASP A 46 4.021 0.929 8.994 1.00 0.43 H new ATOM 0 HA ASP A 46 3.817 -1.684 10.241 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.738 -0.521 8.801 1.00 0.58 H new ATOM 0 HB3 ASP A 46 6.232 0.097 10.365 1.00 0.58 H new ATOM 858 N GLU A 47 3.578 0.942 12.022 1.00 0.49 N ATOM 859 CA GLU A 47 3.311 1.408 13.376 1.00 0.51 C ATOM 860 C GLU A 47 1.847 1.181 13.749 1.00 0.49 C ATOM 861 O GLU A 47 1.367 1.707 14.754 1.00 0.58 O ATOM 862 CB GLU A 47 3.627 2.894 13.515 1.00 0.53 C ATOM 863 CG GLU A 47 5.101 3.238 13.419 1.00 1.21 C ATOM 864 CD GLU A 47 5.378 4.662 13.862 1.00 1.73 C ATOM 865 OE1 GLU A 47 4.910 5.605 13.188 1.00 2.21 O ATOM 866 OE2 GLU A 47 6.067 4.848 14.885 1.00 2.22 O ATOM 0 H GLU A 47 3.324 1.607 11.291 1.00 0.49 H new ATOM 0 HA GLU A 47 3.952 0.837 14.047 1.00 0.51 H new ATOM 0 HB2 GLU A 47 3.089 3.440 12.741 1.00 0.53 H new ATOM 0 HB3 GLU A 47 3.247 3.244 14.475 1.00 0.53 H new ATOM 0 HG2 GLU A 47 5.676 2.547 14.036 1.00 1.21 H new ATOM 0 HG3 GLU A 47 5.439 3.105 12.391 1.00 1.21 H new ATOM 873 N LEU A 48 1.134 0.417 12.929 1.00 0.44 N ATOM 874 CA LEU A 48 -0.271 0.143 13.159 1.00 0.46 C ATOM 875 C LEU A 48 -0.481 -0.787 14.351 1.00 0.69 C ATOM 876 O LEU A 48 0.424 -1.004 15.160 1.00 1.11 O ATOM 877 CB LEU A 48 -0.886 -0.414 11.873 1.00 0.37 C ATOM 878 CG LEU A 48 -1.145 0.636 10.799 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.688 -0.013 9.548 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.113 1.683 11.319 1.00 0.47 C ATOM 0 H LEU A 48 1.515 -0.025 12.092 1.00 0.44 H new ATOM 0 HA LEU A 48 -0.780 1.072 13.417 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.222 -1.177 11.467 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -1.827 -0.907 12.117 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.203 1.124 10.550 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -1.868 0.750 8.791 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -0.965 -0.736 9.170 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.624 -0.522 9.779 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.292 2.429 10.545 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.055 1.206 11.588 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.688 2.167 12.198 1.00 0.47 H new ATOM 892 N GLU A 49 -1.665 -1.354 14.430 1.00 0.61 N ATOM 893 CA GLU A 49 -2.116 -2.012 15.647 1.00 0.86 C ATOM 894 C GLU A 49 -3.383 -2.834 15.424 1.00 0.61 C ATOM 895 O GLU A 49 -4.425 -2.294 15.054 1.00 1.16 O ATOM 896 CB GLU A 49 -2.346 -0.969 16.741 1.00 1.42 C ATOM 897 CG GLU A 49 -3.078 0.271 16.252 1.00 1.33 C ATOM 898 CD GLU A 49 -3.217 1.321 17.327 1.00 2.01 C ATOM 899 OE1 GLU A 49 -4.122 1.196 18.179 1.00 2.19 O ATOM 900 OE2 GLU A 49 -2.424 2.285 17.318 1.00 2.83 O ATOM 0 H GLU A 49 -2.339 -1.375 13.665 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.335 -2.706 15.958 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -2.917 -1.423 17.551 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -1.383 -0.672 17.158 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -2.542 0.694 15.402 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -4.068 -0.012 15.895 1.00 1.33 H new ATOM 907 N GLY A 50 -3.261 -4.143 15.617 1.00 0.74 N ATOM 908 CA GLY A 50 -4.412 -5.038 15.632 1.00 0.61 C ATOM 909 C GLY A 50 -5.332 -4.896 14.433 1.00 0.54 C ATOM 910 O GLY A 50 -4.944 -5.191 13.301 1.00 0.54 O ATOM 0 H GLY A 50 -2.367 -4.611 15.767 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -4.056 -6.067 15.682 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -4.987 -4.855 16.540 1.00 0.61 H new ATOM 914 N ASP A 51 -6.553 -4.437 14.693 1.00 0.54 N ATOM 915 CA ASP A 51 -7.573 -4.291 13.657 1.00 0.52 C ATOM 916 C ASP A 51 -7.192 -3.191 12.678 1.00 0.46 C ATOM 917 O ASP A 51 -7.471 -3.302 11.489 1.00 0.46 O ATOM 918 CB ASP A 51 -8.931 -3.993 14.291 1.00 0.58 C ATOM 919 CG ASP A 51 -10.045 -3.878 13.271 1.00 1.53 C ATOM 920 OD1 ASP A 51 -10.416 -4.907 12.662 1.00 2.06 O ATOM 921 OD2 ASP A 51 -10.579 -2.763 13.095 1.00 2.37 O ATOM 0 H ASP A 51 -6.863 -4.157 15.623 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.642 -5.229 13.106 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.176 -4.783 15.001 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -8.866 -3.064 14.857 1.00 0.58 H new ATOM 926 N ALA A 52 -6.546 -2.137 13.173 1.00 0.43 N ATOM 927 CA ALA A 52 -6.078 -1.065 12.301 1.00 0.41 C ATOM 928 C ALA A 52 -5.108 -1.642 11.287 1.00 0.40 C ATOM 929 O ALA A 52 -5.163 -1.347 10.094 1.00 0.40 O ATOM 930 CB ALA A 52 -5.420 0.043 13.103 1.00 0.42 C ATOM 0 H ALA A 52 -6.337 -2.004 14.162 1.00 0.43 H new ATOM 0 HA ALA A 52 -6.931 -0.628 11.782 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.081 0.829 12.428 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.139 0.457 13.809 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.567 -0.360 13.648 1.00 0.42 H new ATOM 936 N LYS A 53 -4.216 -2.481 11.802 1.00 0.40 N ATOM 937 CA LYS A 53 -3.189 -3.114 10.997 1.00 0.41 C ATOM 938 C LYS A 53 -3.845 -4.065 10.012 1.00 0.41 C ATOM 939 O LYS A 53 -3.608 -3.984 8.811 1.00 0.40 O ATOM 940 CB LYS A 53 -2.209 -3.863 11.911 1.00 0.47 C ATOM 941 CG LYS A 53 -0.782 -3.958 11.378 1.00 0.52 C ATOM 942 CD LYS A 53 -0.649 -4.954 10.243 1.00 0.94 C ATOM 943 CE LYS A 53 0.781 -5.016 9.728 1.00 0.83 C ATOM 944 NZ LYS A 53 0.942 -6.038 8.663 1.00 1.62 N ATOM 0 H LYS A 53 -4.188 -2.738 12.789 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.632 -2.361 10.440 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.187 -3.367 12.881 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.588 -4.871 12.077 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.461 -2.975 11.034 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.113 -4.246 12.189 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.958 -5.942 10.585 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -1.319 -4.674 9.430 1.00 0.94 H new ATOM 0 HE2 LYS A 53 1.070 -4.039 9.340 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.455 -5.243 10.554 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 1.712 -6.688 8.919 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 0.057 -6.574 8.560 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.170 -5.569 7.763 1.00 1.62 H new ATOM 958 N LYS A 54 -4.672 -4.959 10.545 1.00 0.44 N ATOM 959 CA LYS A 54 -5.427 -5.906 9.734 1.00 0.47 C ATOM 960 C LYS A 54 -6.199 -5.196 8.617 1.00 0.44 C ATOM 961 O LYS A 54 -6.132 -5.601 7.458 1.00 0.46 O ATOM 962 CB LYS A 54 -6.361 -6.718 10.631 1.00 0.52 C ATOM 963 CG LYS A 54 -7.821 -6.658 10.233 1.00 0.99 C ATOM 964 CD LYS A 54 -8.613 -7.714 10.962 1.00 0.97 C ATOM 965 CE LYS A 54 -10.054 -7.770 10.478 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.708 -6.436 10.508 1.00 2.49 N ATOM 0 H LYS A 54 -4.837 -5.047 11.548 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.728 -6.587 9.249 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -6.038 -7.759 10.623 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.262 -6.361 11.656 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.225 -5.671 10.460 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -7.916 -6.802 9.157 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.142 -8.687 10.817 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.596 -7.508 12.032 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.079 -8.162 9.461 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.618 -8.464 11.101 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.738 -6.556 10.590 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -10.356 -5.895 11.324 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.488 -5.922 9.631 1.00 2.49 H new ATOM 980 N GLU A 55 -6.903 -4.116 8.964 1.00 0.42 N ATOM 981 CA GLU A 55 -7.674 -3.368 7.988 1.00 0.41 C ATOM 982 C GLU A 55 -6.762 -2.741 6.959 1.00 0.39 C ATOM 983 O GLU A 55 -7.003 -2.895 5.762 1.00 0.41 O ATOM 984 CB GLU A 55 -8.515 -2.286 8.660 1.00 0.42 C ATOM 985 CG GLU A 55 -9.949 -2.691 8.911 1.00 0.89 C ATOM 986 CD GLU A 55 -10.895 -1.518 8.763 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.107 -1.051 7.625 1.00 1.34 O ATOM 988 OE2 GLU A 55 -11.453 -1.065 9.788 1.00 2.27 O ATOM 0 H GLU A 55 -6.950 -3.746 9.913 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.346 -4.068 7.491 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.052 -2.018 9.610 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.504 -1.392 8.036 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -10.233 -3.478 8.212 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.040 -3.108 9.914 1.00 0.89 H new ATOM 995 N ALA A 56 -5.729 -2.042 7.387 1.00 0.36 N ATOM 996 CA ALA A 56 -4.847 -1.407 6.432 1.00 0.34 C ATOM 997 C ALA A 56 -4.237 -2.460 5.523 1.00 0.36 C ATOM 998 O ALA A 56 -4.293 -2.341 4.305 1.00 0.37 O ATOM 999 CB ALA A 56 -3.773 -0.598 7.124 1.00 0.31 C ATOM 0 H ALA A 56 -5.484 -1.902 8.367 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.431 -0.712 5.828 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.128 -0.135 6.377 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.237 0.177 7.733 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.178 -1.253 7.761 1.00 0.31 H new ATOM 1005 N THR A 57 -3.685 -3.501 6.129 1.00 0.38 N ATOM 1006 CA THR A 57 -3.093 -4.603 5.393 1.00 0.41 C ATOM 1007 C THR A 57 -4.017 -5.142 4.305 1.00 0.44 C ATOM 1008 O THR A 57 -3.617 -5.321 3.160 1.00 0.45 O ATOM 1009 CB THR A 57 -2.729 -5.756 6.350 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.856 -5.281 7.376 1.00 0.43 O ATOM 1011 CG2 THR A 57 -2.066 -6.895 5.604 1.00 0.51 C ATOM 0 H THR A 57 -3.636 -3.603 7.143 1.00 0.38 H new ATOM 0 HA THR A 57 -2.196 -4.209 4.915 1.00 0.41 H new ATOM 0 HB THR A 57 -3.651 -6.128 6.798 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.256 -4.498 7.809 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.820 -7.694 6.304 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.746 -7.276 4.842 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.153 -6.536 5.128 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.275 -5.361 4.692 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.304 -5.828 3.772 1.00 0.49 C ATOM 1021 C GLU A 58 -6.623 -4.791 2.695 1.00 0.48 C ATOM 1022 O GLU A 58 -6.956 -5.152 1.565 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.571 -6.211 4.540 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.450 -7.540 5.265 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.782 -8.052 5.766 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -9.664 -8.331 4.927 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -8.948 -8.199 6.995 1.00 1.71 O ATOM 0 H GLU A 58 -5.604 -5.220 5.647 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.914 -6.711 3.266 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.800 -5.429 5.264 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.409 -6.258 3.845 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.011 -8.278 4.593 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.767 -7.429 6.107 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.510 -3.508 3.024 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.833 -2.462 2.062 1.00 0.43 C ATOM 1036 C HIS A 59 -5.693 -2.306 1.069 1.00 0.42 C ATOM 1037 O HIS A 59 -5.918 -2.200 -0.139 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.133 -1.132 2.761 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.392 -1.151 3.575 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.534 -1.811 3.180 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.676 -0.611 4.786 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.464 -1.677 4.107 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -9.969 -0.954 5.097 1.00 0.57 N ATOM 0 H HIS A 59 -6.202 -3.171 3.936 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.734 -2.756 1.524 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.295 -0.875 3.409 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.208 -0.346 2.010 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.008 -0.020 5.394 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.462 -2.089 4.064 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.465 -0.694 5.950 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.467 -2.286 1.585 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.284 -2.318 0.760 1.00 0.40 C ATOM 1054 C LEU A 60 -3.221 -3.593 -0.080 1.00 0.43 C ATOM 1055 O LEU A 60 -2.684 -3.577 -1.191 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.039 -2.184 1.628 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.738 -0.754 2.050 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.765 -0.235 3.023 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.331 -0.625 2.611 1.00 0.59 C ATOM 0 H LEU A 60 -4.276 -2.247 2.586 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.329 -1.475 0.071 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.161 -2.798 2.520 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.182 -2.580 1.083 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.794 -0.134 1.155 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.517 0.789 3.302 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.750 -0.256 2.558 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.771 -0.862 3.914 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.149 0.409 2.903 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.226 -1.272 3.482 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.392 -0.920 1.851 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.771 -4.693 0.441 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.867 -5.928 -0.331 1.00 0.50 C ATOM 1073 C LYS A 61 -4.680 -5.682 -1.586 1.00 0.53 C ATOM 1074 O LYS A 61 -4.214 -5.936 -2.693 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.515 -7.057 0.480 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.568 -7.797 1.412 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.294 -8.906 2.158 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.349 -9.721 3.029 1.00 0.59 C ATOM 1079 NZ LYS A 61 -4.067 -10.791 3.772 1.00 0.67 N ATOM 0 H LYS A 61 -4.152 -4.751 1.385 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.855 -6.237 -0.591 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.331 -6.639 1.070 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.957 -7.775 -0.211 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.743 -8.219 0.838 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.134 -7.097 2.126 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -5.077 -8.472 2.780 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.785 -9.564 1.441 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.575 -10.168 2.406 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.847 -9.061 3.737 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.390 -11.324 4.354 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.789 -10.363 4.386 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.525 -11.435 3.096 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.898 -5.179 -1.401 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.752 -4.844 -2.521 1.00 0.56 C ATOM 1095 C GLY A 62 -6.135 -3.792 -3.422 1.00 0.55 C ATOM 1096 O GLY A 62 -6.288 -3.850 -4.642 1.00 0.59 O ATOM 0 H GLY A 62 -6.309 -4.997 -0.485 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -6.954 -5.744 -3.102 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.711 -4.483 -2.149 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.453 -2.821 -2.822 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.747 -1.815 -3.593 1.00 0.49 C ATOM 1102 C GLY A 63 -3.746 -2.423 -4.552 1.00 0.49 C ATOM 1103 O GLY A 63 -3.807 -2.188 -5.760 1.00 0.50 O ATOM 0 H GLY A 63 -5.377 -2.713 -1.811 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.467 -1.218 -4.153 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.230 -1.137 -2.914 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.839 -3.224 -4.018 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.834 -3.884 -4.835 1.00 0.55 C ATOM 1109 C CYS A 64 -2.483 -4.951 -5.716 1.00 0.56 C ATOM 1110 O CYS A 64 -1.965 -5.301 -6.774 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.749 -4.491 -3.948 1.00 0.68 C ATOM 1112 SG CYS A 64 0.660 -5.194 -4.864 1.00 1.13 S ATOM 0 H CYS A 64 -2.778 -3.433 -3.022 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.367 -3.146 -5.487 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.379 -3.723 -3.269 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.194 -5.273 -3.333 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.635 -5.446 -5.280 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.419 -6.400 -6.056 1.00 0.67 C ATOM 1119 C ARG A 65 -4.864 -5.755 -7.365 1.00 0.65 C ATOM 1120 O ARG A 65 -4.887 -6.405 -8.413 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.626 -6.872 -5.225 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.470 -7.976 -5.853 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.470 -7.430 -6.860 1.00 1.49 C ATOM 1124 NE ARG A 65 -8.402 -8.454 -7.324 1.00 2.07 N ATOM 1125 CZ ARG A 65 -8.231 -9.182 -8.425 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -7.126 -9.048 -9.150 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -9.165 -10.049 -8.793 1.00 3.80 N ATOM 0 H ARG A 65 -4.051 -5.199 -4.382 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.810 -7.271 -6.298 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.264 -7.222 -4.258 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.269 -6.013 -5.032 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -5.816 -8.695 -6.346 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -7.003 -8.514 -5.069 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -8.029 -6.611 -6.407 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -6.934 -7.016 -7.714 1.00 1.49 H new ATOM 0 HE ARG A 65 -9.240 -8.623 -6.767 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -6.405 -8.386 -8.863 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -6.998 -9.608 -9.993 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -10.011 -10.156 -8.233 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -9.038 -10.609 -9.636 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.214 -4.474 -7.304 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.576 -3.731 -8.503 1.00 0.55 C ATOM 1143 C GLU A 66 -4.323 -3.372 -9.295 1.00 0.48 C ATOM 1144 O GLU A 66 -4.374 -3.222 -10.512 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.367 -2.466 -8.161 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.679 -2.739 -7.448 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.594 -1.532 -7.434 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.202 -0.494 -6.860 1.00 2.02 O ATOM 1149 OE2 GLU A 66 -9.705 -1.611 -7.998 1.00 1.61 O ATOM 0 H GLU A 66 -5.254 -3.932 -6.441 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.216 -4.369 -9.113 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.751 -1.821 -7.534 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.571 -1.916 -9.080 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -8.188 -3.571 -7.936 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.474 -3.048 -6.423 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.199 -3.241 -8.600 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.921 -3.025 -9.265 1.00 0.47 C ATOM 1158 C ILE A 67 -1.526 -4.267 -10.051 1.00 0.45 C ATOM 1159 O ILE A 67 -1.043 -4.168 -11.174 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.799 -2.659 -8.269 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -1.108 -1.313 -7.610 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.561 -2.624 -8.970 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -0.077 -0.874 -6.595 1.00 0.81 C ATOM 0 H ILE A 67 -3.147 -3.280 -7.582 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.047 -2.181 -9.944 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.753 -3.425 -7.495 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.188 -0.551 -8.385 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -2.081 -1.374 -7.122 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.336 -2.364 -8.249 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.776 -3.604 -9.396 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.541 -1.879 -9.765 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.368 0.088 -6.174 1.00 0.81 H new ATOM 0 HD12 ILE A 67 -0.013 -1.615 -5.798 1.00 0.81 H new ATOM 0 HD13 ILE A 67 0.894 -0.778 -7.081 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.752 -5.439 -9.469 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.487 -6.700 -10.152 1.00 0.80 C ATOM 1177 C LEU A 68 -2.402 -6.841 -11.367 1.00 0.82 C ATOM 1178 O LEU A 68 -2.072 -7.512 -12.344 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.680 -7.874 -9.193 1.00 1.12 C ATOM 1180 CG LEU A 68 -1.180 -9.214 -9.717 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.290 -9.110 -10.093 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -1.390 -10.305 -8.678 1.00 1.71 C ATOM 0 H LEU A 68 -2.119 -5.542 -8.523 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.452 -6.705 -10.495 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -1.166 -7.650 -8.258 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.741 -7.964 -8.959 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.751 -9.478 -10.607 1.00 1.34 H new ATOM 0 HD11 LEU A 68 0.639 -10.073 -10.467 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.415 -8.353 -10.868 1.00 1.58 H new ATOM 0 HD13 LEU A 68 0.871 -8.829 -9.215 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -1.027 -11.255 -9.070 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.842 -10.053 -7.770 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -2.452 -10.389 -8.448 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.522 -6.131 -11.299 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.435 -6.045 -12.436 1.00 1.24 C ATOM 1196 C LYS A 69 -3.820 -5.193 -13.544 1.00 1.20 C ATOM 1197 O LYS A 69 -4.303 -5.172 -14.676 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.805 -5.491 -12.032 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.609 -6.425 -11.140 1.00 1.43 C ATOM 1200 CD LYS A 69 -8.011 -5.889 -10.880 1.00 1.50 C ATOM 1201 CE LYS A 69 -8.915 -6.062 -12.095 1.00 1.68 C ATOM 1202 NZ LYS A 69 -9.355 -7.475 -12.271 1.00 2.22 N ATOM 0 H LYS A 69 -3.820 -5.609 -10.475 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.592 -7.057 -12.808 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.664 -4.542 -11.514 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.381 -5.280 -12.933 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.676 -7.407 -11.608 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -6.089 -6.559 -10.191 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.446 -6.408 -10.026 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -7.954 -4.833 -10.616 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -9.790 -5.421 -11.989 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -8.386 -5.734 -12.990 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -9.838 -7.577 -13.186 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -8.526 -8.102 -12.245 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -10.008 -7.733 -11.504 1.00 2.22 H new ATOM 1216 N HIS A 70 -2.748 -4.487 -13.204 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.050 -3.626 -14.138 1.00 1.16 C ATOM 1218 C HIS A 70 -0.813 -4.347 -14.651 1.00 0.91 C ATOM 1219 O HIS A 70 -0.596 -4.467 -15.853 1.00 0.89 O ATOM 1220 CB HIS A 70 -1.668 -2.298 -13.470 1.00 1.41 C ATOM 1221 CG HIS A 70 -1.029 -1.308 -14.398 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -1.750 -0.376 -15.111 1.00 1.59 N ATOM 1223 CD2 HIS A 70 0.271 -1.092 -14.709 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -0.924 0.367 -15.819 1.00 1.76 C ATOM 1225 NE2 HIS A 70 0.309 -0.043 -15.594 1.00 1.74 N ATOM 0 H HIS A 70 -2.341 -4.499 -12.269 1.00 1.05 H new ATOM 0 HA HIS A 70 -2.707 -3.397 -14.977 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -2.563 -1.850 -13.038 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -0.984 -2.501 -12.646 1.00 1.41 H new ATOM 0 HD2 HIS A 70 1.120 -1.642 -14.331 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -1.209 1.177 -16.474 1.00 1.76 H new ATOM 0 HE2 HIS A 70 1.152 0.354 -16.009 1.00 1.74 H new ATOM 1234 N VAL A 71 0.009 -4.804 -13.698 1.00 0.76 N ATOM 1235 CA VAL A 71 1.276 -5.448 -13.997 1.00 0.69 C ATOM 1236 C VAL A 71 1.067 -6.721 -14.799 1.00 0.52 C ATOM 1237 O VAL A 71 1.542 -6.852 -15.924 1.00 0.59 O ATOM 1238 CB VAL A 71 2.047 -5.836 -12.711 1.00 0.81 C ATOM 1239 CG1 VAL A 71 3.523 -5.831 -12.970 1.00 1.01 C ATOM 1240 CG2 VAL A 71 1.739 -4.927 -11.540 1.00 1.46 C ATOM 0 H VAL A 71 -0.194 -4.734 -12.701 1.00 0.76 H new ATOM 0 HA VAL A 71 1.853 -4.721 -14.569 1.00 0.69 H new ATOM 0 HB VAL A 71 1.714 -6.838 -12.441 1.00 0.81 H new ATOM 0 HG11 VAL A 71 4.053 -6.105 -12.058 1.00 1.01 H new ATOM 0 HG12 VAL A 71 3.757 -6.549 -13.756 1.00 1.01 H new ATOM 0 HG13 VAL A 71 3.834 -4.835 -13.285 1.00 1.01 H new ATOM 0 HG21 VAL A 71 2.309 -5.250 -10.669 1.00 1.46 H new ATOM 0 HG22 VAL A 71 2.012 -3.903 -11.793 1.00 1.46 H new ATOM 0 HG23 VAL A 71 0.674 -4.973 -11.314 1.00 1.46 H new ATOM 1250 N VAL A 72 0.351 -7.659 -14.206 1.00 0.44 N ATOM 1251 CA VAL A 72 0.189 -8.965 -14.802 1.00 0.46 C ATOM 1252 C VAL A 72 -1.083 -9.037 -15.642 1.00 0.47 C ATOM 1253 O VAL A 72 -1.252 -9.935 -16.473 1.00 0.64 O ATOM 1254 CB VAL A 72 0.190 -10.059 -13.716 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -1.219 -10.441 -13.286 1.00 0.74 C ATOM 1256 CG2 VAL A 72 0.983 -11.254 -14.189 1.00 0.80 C ATOM 0 H VAL A 72 -0.126 -7.537 -13.313 1.00 0.44 H new ATOM 0 HA VAL A 72 1.035 -9.138 -15.467 1.00 0.46 H new ATOM 0 HB VAL A 72 0.675 -9.657 -12.827 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -1.168 -11.215 -12.520 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.727 -9.564 -12.884 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.772 -10.818 -14.146 1.00 0.74 H new ATOM 0 HG21 VAL A 72 0.979 -12.022 -13.416 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.534 -11.652 -15.099 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.010 -10.951 -14.394 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.976 -8.087 -15.414 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.212 -8.040 -16.142 1.00 0.48 C ATOM 1268 C GLY A 73 -4.310 -8.774 -15.415 1.00 0.50 C ATOM 1269 O GLY A 73 -4.305 -8.872 -14.187 1.00 0.55 O ATOM 0 H GLY A 73 -1.858 -7.342 -14.728 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.506 -7.002 -16.295 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -3.071 -8.480 -17.129 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.239 -9.300 -16.177 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.371 -10.025 -15.623 1.00 0.58 C ATOM 1275 C GLU A 74 -6.035 -11.509 -15.491 1.00 0.53 C ATOM 1276 O GLU A 74 -6.257 -12.109 -14.446 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.592 -9.834 -16.524 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.901 -10.289 -15.901 1.00 1.45 C ATOM 1279 CD GLU A 74 -9.253 -9.489 -14.666 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -9.680 -8.327 -14.807 1.00 2.10 O ATOM 1281 OE2 GLU A 74 -9.123 -10.024 -13.544 1.00 2.31 O ATOM 0 H GLU A 74 -5.237 -9.241 -17.195 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.596 -9.634 -14.631 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.675 -8.779 -16.787 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -7.434 -10.383 -17.453 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -9.702 -10.195 -16.634 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -8.830 -11.345 -15.640 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.462 -12.057 -16.561 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.103 -13.478 -16.670 1.00 0.55 C ATOM 1290 C GLU A 75 -4.522 -14.065 -15.387 1.00 0.53 C ATOM 1291 O GLU A 75 -5.132 -14.926 -14.753 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.072 -13.637 -17.789 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.547 -15.054 -17.950 1.00 0.95 C ATOM 1294 CD GLU A 75 -4.568 -15.990 -18.555 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -4.698 -16.019 -19.793 1.00 1.31 O ATOM 1296 OE2 GLU A 75 -5.251 -16.704 -17.788 1.00 2.00 O ATOM 0 H GLU A 75 -5.228 -11.519 -17.395 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.024 -14.022 -16.879 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.520 -13.318 -18.730 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.233 -12.970 -17.593 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -2.657 -15.038 -18.579 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -3.242 -15.437 -16.976 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.352 -13.591 -15.004 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.607 -14.220 -13.939 1.00 0.51 C ATOM 1305 C LYS A 76 -3.195 -13.885 -12.584 1.00 0.55 C ATOM 1306 O LYS A 76 -3.279 -14.743 -11.712 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.151 -13.800 -14.022 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.491 -14.167 -15.343 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.477 -15.670 -15.572 1.00 1.43 C ATOM 1310 CE LYS A 76 0.315 -16.391 -14.493 1.00 0.71 C ATOM 1311 NZ LYS A 76 0.428 -17.847 -14.760 1.00 1.13 N ATOM 0 H LYS A 76 -2.901 -12.774 -15.415 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.671 -15.302 -14.058 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.083 -12.722 -13.877 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -0.599 -14.267 -13.206 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -1.021 -13.680 -16.161 1.00 1.16 H new ATOM 0 HG3 LYS A 76 0.531 -13.788 -15.356 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -1.500 -16.046 -15.587 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -0.044 -15.886 -16.549 1.00 1.43 H new ATOM 0 HE2 LYS A 76 1.313 -15.957 -14.426 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.166 -16.237 -13.527 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 0.644 -18.347 -13.874 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -0.471 -18.200 -15.146 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 1.190 -18.016 -15.447 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.619 -12.642 -12.414 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.236 -12.216 -11.168 1.00 0.64 C ATOM 1327 C ALA A 77 -5.504 -13.027 -10.917 1.00 0.65 C ATOM 1328 O ALA A 77 -5.856 -13.319 -9.777 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.545 -10.720 -11.217 1.00 0.68 C ATOM 0 H ALA A 77 -3.547 -11.912 -13.122 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.544 -12.392 -10.344 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.007 -10.413 -10.279 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.620 -10.162 -11.366 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.229 -10.516 -12.041 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.167 -13.409 -12.004 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.371 -14.220 -11.936 1.00 0.67 C ATOM 1337 C ALA A 78 -7.055 -15.635 -11.474 1.00 0.67 C ATOM 1338 O ALA A 78 -7.764 -16.200 -10.635 1.00 0.73 O ATOM 1339 CB ALA A 78 -8.048 -14.248 -13.297 1.00 0.66 C ATOM 0 H ALA A 78 -5.883 -13.164 -12.953 1.00 0.63 H new ATOM 0 HA ALA A 78 -8.047 -13.774 -11.206 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.950 -14.857 -13.242 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.313 -13.233 -13.593 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.367 -14.674 -14.033 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.987 -16.210 -12.009 1.00 0.62 N ATOM 1346 CA GLU A 79 -5.625 -17.578 -11.675 1.00 0.65 C ATOM 1347 C GLU A 79 -5.009 -17.653 -10.283 1.00 0.66 C ATOM 1348 O GLU A 79 -5.020 -18.702 -9.650 1.00 0.67 O ATOM 1349 CB GLU A 79 -4.688 -18.165 -12.713 1.00 0.65 C ATOM 1350 CG GLU A 79 -3.271 -17.719 -12.555 1.00 0.85 C ATOM 1351 CD GLU A 79 -2.340 -18.407 -13.526 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -2.393 -18.093 -14.729 1.00 1.26 O ATOM 1353 OE2 GLU A 79 -1.550 -19.271 -13.098 1.00 1.33 O ATOM 0 H GLU A 79 -5.360 -15.753 -12.672 1.00 0.62 H new ATOM 0 HA GLU A 79 -6.538 -18.174 -11.674 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -4.727 -19.253 -12.653 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -5.039 -17.888 -13.707 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -3.214 -16.641 -12.703 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -2.941 -17.919 -11.536 1.00 0.85 H new ATOM 1360 N LEU A 80 -4.508 -16.525 -9.805 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.989 -16.426 -8.451 1.00 0.70 C ATOM 1362 C LEU A 80 -5.116 -16.322 -7.435 1.00 0.74 C ATOM 1363 O LEU A 80 -4.976 -16.758 -6.291 1.00 0.80 O ATOM 1364 CB LEU A 80 -3.048 -15.232 -8.357 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.775 -15.386 -9.184 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -1.060 -14.060 -9.322 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.870 -16.427 -8.552 1.00 0.98 C ATOM 0 H LEU A 80 -4.450 -15.659 -10.340 1.00 0.66 H new ATOM 0 HA LEU A 80 -3.433 -17.334 -8.217 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.577 -14.337 -8.685 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.776 -15.077 -7.313 1.00 0.71 H new ATOM 0 HG LEU A 80 -2.046 -15.722 -10.185 1.00 0.66 H new ATOM 0 HD11 LEU A 80 -0.156 -14.194 -9.915 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.715 -13.343 -9.817 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.793 -13.686 -8.334 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.037 -16.531 -9.148 1.00 0.98 H new ATOM 0 HD22 LEU A 80 -0.606 -16.114 -7.542 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -1.390 -17.384 -8.511 1.00 0.98 H new ATOM 1379 N LYS A 81 -6.240 -15.757 -7.855 1.00 0.74 N ATOM 1380 CA LYS A 81 -7.420 -15.708 -7.006 1.00 0.79 C ATOM 1381 C LYS A 81 -7.946 -17.118 -6.775 1.00 0.77 C ATOM 1382 O LYS A 81 -8.223 -17.516 -5.642 1.00 0.79 O ATOM 1383 CB LYS A 81 -8.511 -14.833 -7.634 1.00 0.83 C ATOM 1384 CG LYS A 81 -8.165 -13.351 -7.673 1.00 1.18 C ATOM 1385 CD LYS A 81 -8.048 -12.758 -6.275 1.00 1.34 C ATOM 1386 CE LYS A 81 -9.393 -12.728 -5.566 1.00 1.68 C ATOM 1387 NZ LYS A 81 -9.276 -12.235 -4.168 1.00 2.12 N ATOM 0 H LYS A 81 -6.358 -15.329 -8.773 1.00 0.74 H new ATOM 0 HA LYS A 81 -7.141 -15.266 -6.050 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -8.701 -15.179 -8.650 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -9.437 -14.966 -7.074 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -7.225 -13.212 -8.206 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -8.931 -12.814 -8.232 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -7.340 -13.344 -5.689 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -7.648 -11.746 -6.340 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -10.080 -12.088 -6.120 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -9.823 -13.730 -5.562 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -10.215 -12.231 -3.722 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -8.641 -12.860 -3.632 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -8.890 -11.269 -4.172 1.00 2.12 H new ATOM 1401 N ASN A 82 -8.050 -17.881 -7.855 1.00 0.75 N ATOM 1402 CA ASN A 82 -8.507 -19.263 -7.768 1.00 0.75 C ATOM 1403 C ASN A 82 -7.434 -20.130 -7.126 1.00 0.74 C ATOM 1404 O ASN A 82 -7.743 -21.110 -6.453 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.852 -19.807 -9.153 1.00 0.73 C ATOM 1406 CG ASN A 82 -9.472 -21.192 -9.098 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -10.217 -21.517 -8.175 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -9.156 -22.020 -10.082 1.00 1.54 N ATOM 0 H ASN A 82 -7.825 -17.568 -8.799 1.00 0.75 H new ATOM 0 HA ASN A 82 -9.405 -19.288 -7.151 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -9.543 -19.123 -9.646 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.948 -19.841 -9.761 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -9.534 -22.967 -10.093 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -8.534 -21.711 -10.829 1.00 1.54 H new ATOM 1415 N LEU A 83 -6.177 -19.762 -7.338 1.00 0.72 N ATOM 1416 CA LEU A 83 -5.061 -20.504 -6.769 1.00 0.72 C ATOM 1417 C LEU A 83 -5.210 -20.566 -5.260 1.00 0.74 C ATOM 1418 O LEU A 83 -5.085 -21.630 -4.651 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.739 -19.833 -7.145 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.631 -20.775 -7.637 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -1.421 -19.980 -8.096 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -2.227 -21.765 -6.559 1.00 1.37 C ATOM 0 H LEU A 83 -5.906 -18.955 -7.899 1.00 0.72 H new ATOM 0 HA LEU A 83 -5.061 -21.518 -7.169 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.935 -19.095 -7.923 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -3.369 -19.289 -6.276 1.00 0.75 H new ATOM 0 HG LEU A 83 -3.027 -21.338 -8.482 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.646 -20.664 -8.441 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -1.709 -19.317 -8.912 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -1.038 -19.388 -7.265 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -1.441 -22.417 -6.940 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -1.859 -21.224 -5.687 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -3.091 -22.366 -6.275 1.00 1.37 H new ATOM 1434 N LYS A 84 -5.544 -19.427 -4.673 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.689 -19.321 -3.235 1.00 0.81 C ATOM 1436 C LYS A 84 -6.911 -20.101 -2.783 1.00 0.83 C ATOM 1437 O LYS A 84 -6.830 -20.948 -1.899 1.00 0.87 O ATOM 1438 CB LYS A 84 -5.829 -17.858 -2.830 1.00 0.88 C ATOM 1439 CG LYS A 84 -5.544 -17.606 -1.356 1.00 0.96 C ATOM 1440 CD LYS A 84 -5.770 -16.151 -0.972 1.00 1.19 C ATOM 1441 CE LYS A 84 -7.242 -15.770 -1.032 1.00 1.54 C ATOM 1442 NZ LYS A 84 -8.054 -16.489 -0.011 1.00 2.27 N ATOM 0 H LYS A 84 -5.720 -18.558 -5.178 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.802 -19.736 -2.757 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -5.148 -17.256 -3.432 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -6.840 -17.521 -3.059 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -6.185 -18.245 -0.748 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -4.514 -17.884 -1.133 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -5.391 -15.978 0.035 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -5.201 -15.506 -1.641 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -7.343 -14.695 -0.882 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -7.632 -15.992 -2.025 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -8.992 -16.046 0.062 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -8.162 -17.485 -0.292 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -7.575 -16.439 0.911 1.00 2.27 H new ATOM 1456 N ASP A 85 -8.032 -19.817 -3.432 1.00 0.84 N ATOM 1457 CA ASP A 85 -9.316 -20.451 -3.112 1.00 0.91 C ATOM 1458 C ASP A 85 -9.260 -21.973 -3.238 1.00 0.90 C ATOM 1459 O ASP A 85 -9.939 -22.682 -2.494 1.00 0.94 O ATOM 1460 CB ASP A 85 -10.408 -19.922 -4.033 1.00 0.98 C ATOM 1461 CG ASP A 85 -11.775 -20.488 -3.702 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -12.337 -20.107 -2.653 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -12.287 -21.324 -4.479 1.00 2.52 O ATOM 0 H ASP A 85 -8.083 -19.142 -4.195 1.00 0.84 H new ATOM 0 HA ASP A 85 -9.539 -20.203 -2.074 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -10.442 -18.835 -3.963 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -10.158 -20.167 -5.065 1.00 0.98 H new ATOM 1468 N SER A 86 -8.446 -22.479 -4.151 1.00 0.86 N ATOM 1469 CA SER A 86 -8.330 -23.922 -4.312 1.00 0.90 C ATOM 1470 C SER A 86 -7.371 -24.509 -3.275 1.00 0.84 C ATOM 1471 O SER A 86 -7.263 -25.730 -3.123 1.00 0.96 O ATOM 1472 CB SER A 86 -7.877 -24.274 -5.732 1.00 0.97 C ATOM 1473 OG SER A 86 -6.713 -23.554 -6.097 1.00 1.52 O ATOM 0 H SER A 86 -7.866 -21.926 -4.781 1.00 0.86 H new ATOM 0 HA SER A 86 -9.314 -24.362 -4.150 1.00 0.90 H new ATOM 0 HB2 SER A 86 -7.680 -25.344 -5.798 1.00 0.97 H new ATOM 0 HB3 SER A 86 -8.679 -24.053 -6.436 1.00 0.97 H new ATOM 0 HG SER A 86 -6.968 -22.675 -6.446 1.00 1.52 H new ATOM 1479 N GLY A 87 -6.702 -23.632 -2.539 1.00 0.80 N ATOM 1480 CA GLY A 87 -5.863 -24.070 -1.444 1.00 0.88 C ATOM 1481 C GLY A 87 -4.411 -23.690 -1.615 1.00 0.82 C ATOM 1482 O GLY A 87 -3.528 -24.491 -1.308 1.00 0.92 O ATOM 0 H GLY A 87 -6.726 -22.622 -2.682 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -6.237 -23.640 -0.515 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -5.939 -25.153 -1.348 1.00 0.88 H new ATOM 1486 N ALA A 88 -4.137 -22.482 -2.082 1.00 0.76 N ATOM 1487 CA ALA A 88 -2.757 -22.036 -2.161 1.00 0.76 C ATOM 1488 C ALA A 88 -2.332 -21.491 -0.820 1.00 0.80 C ATOM 1489 O ALA A 88 -2.976 -20.612 -0.247 1.00 0.83 O ATOM 1490 CB ALA A 88 -2.559 -20.972 -3.221 1.00 0.76 C ATOM 0 H ALA A 88 -4.832 -21.809 -2.404 1.00 0.76 H new ATOM 0 HA ALA A 88 -2.146 -22.895 -2.438 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -1.512 -20.670 -3.242 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -2.842 -21.372 -4.195 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -3.181 -20.107 -2.989 1.00 0.76 H new ATOM 1496 N SER A 89 -1.249 -22.042 -0.329 1.00 0.81 N ATOM 1497 CA SER A 89 -0.654 -21.587 0.900 1.00 0.86 C ATOM 1498 C SER A 89 0.290 -20.425 0.604 1.00 0.78 C ATOM 1499 O SER A 89 0.436 -20.018 -0.556 1.00 0.77 O ATOM 1500 CB SER A 89 0.085 -22.739 1.586 1.00 0.93 C ATOM 1501 OG SER A 89 0.497 -22.387 2.898 1.00 1.60 O ATOM 0 H SER A 89 -0.757 -22.818 -0.771 1.00 0.81 H new ATOM 0 HA SER A 89 -1.433 -21.239 1.579 1.00 0.86 H new ATOM 0 HB2 SER A 89 -0.564 -23.614 1.630 1.00 0.93 H new ATOM 0 HB3 SER A 89 0.956 -23.018 0.993 1.00 0.93 H new ATOM 0 HG SER A 89 0.964 -23.145 3.309 1.00 1.60 H new ATOM 1507 N LYS A 90 0.923 -19.919 1.649 1.00 0.76 N ATOM 1508 CA LYS A 90 1.795 -18.755 1.560 1.00 0.74 C ATOM 1509 C LYS A 90 2.795 -18.875 0.412 1.00 0.69 C ATOM 1510 O LYS A 90 2.956 -17.949 -0.377 1.00 0.67 O ATOM 1511 CB LYS A 90 2.550 -18.584 2.879 1.00 0.81 C ATOM 1512 CG LYS A 90 3.447 -17.359 2.923 1.00 1.29 C ATOM 1513 CD LYS A 90 4.305 -17.340 4.176 1.00 1.77 C ATOM 1514 CE LYS A 90 5.342 -18.454 4.162 1.00 2.22 C ATOM 1515 NZ LYS A 90 6.120 -18.503 5.424 1.00 2.96 N ATOM 0 H LYS A 90 0.847 -20.305 2.590 1.00 0.76 H new ATOM 0 HA LYS A 90 1.169 -17.884 1.365 1.00 0.74 H new ATOM 0 HB2 LYS A 90 1.828 -18.523 3.694 1.00 0.81 H new ATOM 0 HB3 LYS A 90 3.156 -19.472 3.057 1.00 0.81 H new ATOM 0 HG2 LYS A 90 4.088 -17.345 2.042 1.00 1.29 H new ATOM 0 HG3 LYS A 90 2.835 -16.458 2.886 1.00 1.29 H new ATOM 0 HD2 LYS A 90 4.807 -16.376 4.259 1.00 1.77 H new ATOM 0 HD3 LYS A 90 3.669 -17.445 5.055 1.00 1.77 H new ATOM 0 HE2 LYS A 90 4.844 -19.411 4.005 1.00 2.22 H new ATOM 0 HE3 LYS A 90 6.021 -18.307 3.322 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 6.815 -19.275 5.374 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 6.616 -17.599 5.561 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 5.475 -18.669 6.223 1.00 2.96 H new ATOM 1529 N GLU A 91 3.446 -20.023 0.309 1.00 0.71 N ATOM 1530 CA GLU A 91 4.542 -20.194 -0.633 1.00 0.70 C ATOM 1531 C GLU A 91 4.080 -20.333 -2.086 1.00 0.67 C ATOM 1532 O GLU A 91 4.713 -19.805 -2.991 1.00 0.67 O ATOM 1533 CB GLU A 91 5.392 -21.401 -0.247 1.00 0.73 C ATOM 1534 CG GLU A 91 6.119 -21.232 1.077 1.00 1.30 C ATOM 1535 CD GLU A 91 7.017 -22.404 1.399 1.00 1.74 C ATOM 1536 OE1 GLU A 91 6.510 -23.423 1.912 1.00 2.34 O ATOM 1537 OE2 GLU A 91 8.232 -22.312 1.146 1.00 2.10 O ATOM 0 H GLU A 91 3.235 -20.851 0.866 1.00 0.71 H new ATOM 0 HA GLU A 91 5.136 -19.282 -0.575 1.00 0.70 H new ATOM 0 HB2 GLU A 91 4.753 -22.282 -0.192 1.00 0.73 H new ATOM 0 HB3 GLU A 91 6.124 -21.586 -1.033 1.00 0.73 H new ATOM 0 HG2 GLU A 91 6.715 -20.320 1.047 1.00 1.30 H new ATOM 0 HG3 GLU A 91 5.388 -21.109 1.876 1.00 1.30 H new ATOM 1544 N GLU A 92 3.001 -21.073 -2.303 1.00 0.66 N ATOM 1545 CA GLU A 92 2.368 -21.207 -3.604 1.00 0.65 C ATOM 1546 C GLU A 92 2.048 -19.846 -4.202 1.00 0.60 C ATOM 1547 O GLU A 92 2.306 -19.605 -5.374 1.00 0.57 O ATOM 1548 CB GLU A 92 1.082 -21.999 -3.444 1.00 0.69 C ATOM 1549 CG GLU A 92 1.264 -23.336 -2.757 1.00 0.74 C ATOM 1550 CD GLU A 92 1.955 -24.354 -3.640 1.00 1.06 C ATOM 1551 OE1 GLU A 92 3.204 -24.418 -3.615 1.00 1.45 O ATOM 1552 OE2 GLU A 92 1.259 -25.103 -4.353 1.00 1.10 O ATOM 0 H GLU A 92 2.535 -21.604 -1.567 1.00 0.66 H new ATOM 0 HA GLU A 92 3.055 -21.722 -4.276 1.00 0.65 H new ATOM 0 HB2 GLU A 92 0.369 -21.403 -2.874 1.00 0.69 H new ATOM 0 HB3 GLU A 92 0.644 -22.164 -4.428 1.00 0.69 H new ATOM 0 HG2 GLU A 92 1.846 -23.196 -1.846 1.00 0.74 H new ATOM 0 HG3 GLU A 92 0.290 -23.722 -2.457 1.00 0.74 H new ATOM 1559 N LEU A 93 1.517 -18.949 -3.391 1.00 0.61 N ATOM 1560 CA LEU A 93 1.318 -17.579 -3.857 1.00 0.60 C ATOM 1561 C LEU A 93 2.664 -16.883 -3.863 1.00 0.61 C ATOM 1562 O LEU A 93 2.910 -16.090 -4.756 1.00 0.64 O ATOM 1563 CB LEU A 93 0.235 -16.863 -3.055 1.00 0.64 C ATOM 1564 CG LEU A 93 -1.166 -17.462 -3.276 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -2.245 -16.603 -2.656 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -1.443 -17.652 -4.762 1.00 1.07 C ATOM 0 H LEU A 93 1.221 -19.131 -2.432 1.00 0.61 H new ATOM 0 HA LEU A 93 0.936 -17.568 -4.878 1.00 0.60 H new ATOM 0 HB2 LEU A 93 0.483 -16.912 -1.995 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.222 -15.809 -3.331 1.00 0.64 H new ATOM 0 HG LEU A 93 -1.183 -18.434 -2.783 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -3.219 -17.059 -2.833 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -2.073 -16.521 -1.583 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -2.222 -15.610 -3.105 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -2.438 -18.076 -4.895 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -1.389 -16.688 -5.268 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.701 -18.328 -5.187 1.00 1.07 H new ATOM 1578 N LYS A 94 3.557 -17.175 -2.943 1.00 0.61 N ATOM 1579 CA LYS A 94 4.790 -16.409 -2.833 1.00 0.61 C ATOM 1580 C LYS A 94 5.671 -16.635 -4.036 1.00 0.66 C ATOM 1581 O LYS A 94 6.272 -15.703 -4.572 1.00 0.72 O ATOM 1582 CB LYS A 94 5.549 -16.800 -1.568 1.00 0.64 C ATOM 1583 CG LYS A 94 6.899 -16.121 -1.421 1.00 0.69 C ATOM 1584 CD LYS A 94 7.629 -16.604 -0.179 1.00 1.16 C ATOM 1585 CE LYS A 94 9.118 -16.291 -0.241 1.00 1.38 C ATOM 1586 NZ LYS A 94 9.390 -14.833 -0.354 1.00 2.06 N ATOM 0 H LYS A 94 3.459 -17.929 -2.263 1.00 0.61 H new ATOM 0 HA LYS A 94 4.524 -15.353 -2.783 1.00 0.61 H new ATOM 0 HB2 LYS A 94 4.936 -16.558 -0.700 1.00 0.64 H new ATOM 0 HB3 LYS A 94 5.695 -17.880 -1.564 1.00 0.64 H new ATOM 0 HG2 LYS A 94 7.507 -16.321 -2.303 1.00 0.69 H new ATOM 0 HG3 LYS A 94 6.761 -15.041 -1.367 1.00 0.69 H new ATOM 0 HD2 LYS A 94 7.195 -16.134 0.704 1.00 1.16 H new ATOM 0 HD3 LYS A 94 7.488 -17.679 -0.069 1.00 1.16 H new ATOM 0 HE2 LYS A 94 9.605 -16.680 0.653 1.00 1.38 H new ATOM 0 HE3 LYS A 94 9.559 -16.807 -1.094 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 10.417 -14.671 -0.359 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 8.978 -14.471 -1.238 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 8.965 -14.337 0.455 1.00 2.06 H new ATOM 1600 N ALA A 95 5.740 -17.876 -4.457 1.00 0.67 N ATOM 1601 CA ALA A 95 6.618 -18.248 -5.530 1.00 0.73 C ATOM 1602 C ALA A 95 5.938 -18.133 -6.881 1.00 0.73 C ATOM 1603 O ALA A 95 6.469 -17.507 -7.800 1.00 0.93 O ATOM 1604 CB ALA A 95 7.140 -19.660 -5.318 1.00 0.77 C ATOM 0 H ALA A 95 5.194 -18.645 -4.068 1.00 0.67 H new ATOM 0 HA ALA A 95 7.457 -17.553 -5.526 1.00 0.73 H new ATOM 0 HB1 ALA A 95 7.805 -19.929 -6.139 1.00 0.77 H new ATOM 0 HB2 ALA A 95 7.688 -19.708 -4.377 1.00 0.77 H new ATOM 0 HB3 ALA A 95 6.302 -20.357 -5.286 1.00 0.77 H new ATOM 1610 N LYS A 96 4.757 -18.741 -7.002 1.00 0.70 N ATOM 1611 CA LYS A 96 4.035 -18.716 -8.266 1.00 0.76 C ATOM 1612 C LYS A 96 3.614 -17.305 -8.693 1.00 0.58 C ATOM 1613 O LYS A 96 3.370 -17.046 -9.874 1.00 0.55 O ATOM 1614 CB LYS A 96 2.800 -19.604 -8.200 1.00 1.02 C ATOM 1615 CG LYS A 96 3.111 -21.091 -8.200 1.00 1.75 C ATOM 1616 CD LYS A 96 3.910 -21.498 -9.428 1.00 2.07 C ATOM 1617 CE LYS A 96 4.173 -22.994 -9.453 1.00 2.92 C ATOM 1618 NZ LYS A 96 5.002 -23.390 -10.620 1.00 3.11 N ATOM 0 H LYS A 96 4.289 -19.248 -6.251 1.00 0.70 H new ATOM 0 HA LYS A 96 4.732 -19.094 -9.014 1.00 0.76 H new ATOM 0 HB2 LYS A 96 2.237 -19.360 -7.299 1.00 1.02 H new ATOM 0 HB3 LYS A 96 2.156 -19.377 -9.049 1.00 1.02 H new ATOM 0 HG2 LYS A 96 3.671 -21.346 -7.300 1.00 1.75 H new ATOM 0 HG3 LYS A 96 2.180 -21.658 -8.167 1.00 1.75 H new ATOM 0 HD2 LYS A 96 3.368 -21.208 -10.328 1.00 2.07 H new ATOM 0 HD3 LYS A 96 4.858 -20.961 -9.440 1.00 2.07 H new ATOM 0 HE2 LYS A 96 4.677 -23.290 -8.533 1.00 2.92 H new ATOM 0 HE3 LYS A 96 3.224 -23.529 -9.483 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 5.159 -24.418 -10.601 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 4.510 -23.131 -11.499 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 5.918 -22.899 -10.578 1.00 3.11 H new ATOM 1632 N VAL A 97 3.554 -16.390 -7.719 1.00 0.62 N ATOM 1633 CA VAL A 97 3.295 -14.987 -8.002 1.00 0.57 C ATOM 1634 C VAL A 97 4.460 -14.383 -8.779 1.00 0.54 C ATOM 1635 O VAL A 97 4.266 -13.615 -9.713 1.00 0.59 O ATOM 1636 CB VAL A 97 3.035 -14.183 -6.710 1.00 0.60 C ATOM 1637 CG1 VAL A 97 4.261 -13.443 -6.291 1.00 0.97 C ATOM 1638 CG2 VAL A 97 1.883 -13.227 -6.895 1.00 0.93 C ATOM 0 H VAL A 97 3.682 -16.603 -6.730 1.00 0.62 H new ATOM 0 HA VAL A 97 2.393 -14.931 -8.611 1.00 0.57 H new ATOM 0 HB VAL A 97 2.772 -14.889 -5.923 1.00 0.60 H new ATOM 0 HG11 VAL A 97 4.054 -12.884 -5.379 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.069 -14.152 -6.107 1.00 0.97 H new ATOM 0 HG13 VAL A 97 4.557 -12.752 -7.081 1.00 0.97 H new ATOM 0 HG21 VAL A 97 1.719 -12.672 -5.971 1.00 0.93 H new ATOM 0 HG22 VAL A 97 2.114 -12.530 -7.701 1.00 0.93 H new ATOM 0 HG23 VAL A 97 0.982 -13.787 -7.147 1.00 0.93 H new ATOM 1648 N GLU A 98 5.672 -14.787 -8.425 1.00 0.53 N ATOM 1649 CA GLU A 98 6.865 -14.177 -8.979 1.00 0.57 C ATOM 1650 C GLU A 98 7.159 -14.707 -10.370 1.00 0.52 C ATOM 1651 O GLU A 98 7.944 -14.121 -11.112 1.00 0.53 O ATOM 1652 CB GLU A 98 8.042 -14.393 -8.040 1.00 0.68 C ATOM 1653 CG GLU A 98 7.847 -13.700 -6.702 1.00 0.81 C ATOM 1654 CD GLU A 98 9.041 -13.835 -5.785 1.00 1.31 C ATOM 1655 OE1 GLU A 98 9.586 -14.958 -5.677 1.00 1.65 O ATOM 1656 OE2 GLU A 98 9.461 -12.824 -5.182 1.00 2.03 O ATOM 0 H GLU A 98 5.852 -15.536 -7.756 1.00 0.53 H new ATOM 0 HA GLU A 98 6.695 -13.105 -9.076 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.182 -15.462 -7.876 1.00 0.68 H new ATOM 0 HB3 GLU A 98 8.952 -14.021 -8.510 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.646 -12.643 -6.873 1.00 0.81 H new ATOM 0 HG3 GLU A 98 6.969 -14.116 -6.209 1.00 0.81 H new ATOM 1663 N GLU A 99 6.523 -15.811 -10.718 1.00 0.49 N ATOM 1664 CA GLU A 99 6.549 -16.306 -12.088 1.00 0.49 C ATOM 1665 C GLU A 99 5.695 -15.407 -12.960 1.00 0.48 C ATOM 1666 O GLU A 99 6.111 -14.975 -14.032 1.00 0.51 O ATOM 1667 CB GLU A 99 6.018 -17.737 -12.151 1.00 0.52 C ATOM 1668 CG GLU A 99 6.834 -18.730 -11.346 1.00 0.91 C ATOM 1669 CD GLU A 99 8.270 -18.796 -11.808 1.00 1.68 C ATOM 1670 OE1 GLU A 99 8.515 -19.291 -12.927 1.00 1.82 O ATOM 1671 OE2 GLU A 99 9.160 -18.359 -11.052 1.00 2.48 O ATOM 0 H GLU A 99 5.981 -16.385 -10.072 1.00 0.49 H new ATOM 0 HA GLU A 99 7.578 -16.302 -12.447 1.00 0.49 H new ATOM 0 HB2 GLU A 99 4.990 -17.749 -11.790 1.00 0.52 H new ATOM 0 HB3 GLU A 99 5.994 -18.060 -13.192 1.00 0.52 H new ATOM 0 HG2 GLU A 99 6.806 -18.452 -10.293 1.00 0.91 H new ATOM 0 HG3 GLU A 99 6.382 -19.719 -11.427 1.00 0.91 H new ATOM 1678 N ALA A 100 4.503 -15.108 -12.467 1.00 0.49 N ATOM 1679 CA ALA A 100 3.593 -14.213 -13.158 1.00 0.55 C ATOM 1680 C ALA A 100 4.207 -12.819 -13.263 1.00 0.54 C ATOM 1681 O ALA A 100 4.205 -12.204 -14.329 1.00 0.58 O ATOM 1682 CB ALA A 100 2.260 -14.167 -12.429 1.00 0.63 C ATOM 0 H ALA A 100 4.144 -15.475 -11.586 1.00 0.49 H new ATOM 0 HA ALA A 100 3.420 -14.585 -14.168 1.00 0.55 H new ATOM 0 HB1 ALA A 100 1.582 -13.493 -12.953 1.00 0.63 H new ATOM 0 HB2 ALA A 100 1.827 -15.167 -12.399 1.00 0.63 H new ATOM 0 HB3 ALA A 100 2.414 -13.808 -11.412 1.00 0.63 H new ATOM 1688 N LEU A 101 4.748 -12.343 -12.148 1.00 0.51 N ATOM 1689 CA LEU A 101 5.442 -11.064 -12.098 1.00 0.53 C ATOM 1690 C LEU A 101 6.778 -11.118 -12.838 1.00 0.51 C ATOM 1691 O LEU A 101 7.462 -10.107 -12.965 1.00 0.53 O ATOM 1692 CB LEU A 101 5.676 -10.657 -10.640 1.00 0.53 C ATOM 1693 CG LEU A 101 4.482 -10.035 -9.901 1.00 0.66 C ATOM 1694 CD1 LEU A 101 4.249 -8.606 -10.361 1.00 1.40 C ATOM 1695 CD2 LEU A 101 3.212 -10.851 -10.085 1.00 1.28 C ATOM 0 H LEU A 101 4.717 -12.833 -11.254 1.00 0.51 H new ATOM 0 HA LEU A 101 4.813 -10.324 -12.593 1.00 0.53 H new ATOM 0 HB2 LEU A 101 5.997 -11.540 -10.087 1.00 0.53 H new ATOM 0 HB3 LEU A 101 6.502 -9.946 -10.613 1.00 0.53 H new ATOM 0 HG LEU A 101 4.730 -10.034 -8.839 1.00 0.66 H new ATOM 0 HD11 LEU A 101 3.399 -8.185 -9.824 1.00 1.40 H new ATOM 0 HD12 LEU A 101 5.138 -8.009 -10.158 1.00 1.40 H new ATOM 0 HD13 LEU A 101 4.043 -8.597 -11.431 1.00 1.40 H new ATOM 0 HD21 LEU A 101 2.393 -10.375 -9.546 1.00 1.28 H new ATOM 0 HD22 LEU A 101 2.965 -10.906 -11.145 1.00 1.28 H new ATOM 0 HD23 LEU A 101 3.367 -11.857 -9.696 1.00 1.28 H new ATOM 1707 N HIS A 102 7.169 -12.295 -13.300 1.00 0.51 N ATOM 1708 CA HIS A 102 8.353 -12.406 -14.134 1.00 0.53 C ATOM 1709 C HIS A 102 7.920 -12.261 -15.582 1.00 0.56 C ATOM 1710 O HIS A 102 8.491 -11.491 -16.347 1.00 0.57 O ATOM 1711 CB HIS A 102 9.051 -13.745 -13.913 1.00 0.55 C ATOM 1712 CG HIS A 102 10.467 -13.783 -14.384 1.00 1.07 C ATOM 1713 ND1 HIS A 102 10.834 -14.091 -15.676 1.00 1.95 N ATOM 1714 CD2 HIS A 102 11.614 -13.557 -13.713 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.149 -14.048 -15.775 1.00 2.48 C ATOM 1716 NE2 HIS A 102 12.648 -13.726 -14.597 1.00 2.14 N ATOM 0 H HIS A 102 6.690 -13.176 -13.114 1.00 0.51 H new ATOM 0 HA HIS A 102 9.066 -11.624 -13.874 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.027 -13.983 -12.850 1.00 0.55 H new ATOM 0 HB3 HIS A 102 8.488 -14.524 -14.427 1.00 0.55 H new ATOM 0 HD2 HIS A 102 11.702 -13.291 -12.670 1.00 1.39 H new ATOM 0 HE1 HIS A 102 12.721 -14.244 -16.670 1.00 2.48 H new ATOM 0 HE2 HIS A 102 13.639 -13.620 -14.380 1.00 2.14 H new ATOM 1725 N ALA A 103 6.906 -13.035 -15.934 1.00 0.58 N ATOM 1726 CA ALA A 103 6.449 -13.199 -17.309 1.00 0.61 C ATOM 1727 C ALA A 103 5.868 -11.920 -17.928 1.00 0.61 C ATOM 1728 O ALA A 103 5.417 -11.938 -19.074 1.00 0.64 O ATOM 1729 CB ALA A 103 5.422 -14.315 -17.336 1.00 0.63 C ATOM 0 H ALA A 103 6.366 -13.578 -15.261 1.00 0.58 H new ATOM 0 HA ALA A 103 7.318 -13.445 -17.920 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.065 -14.456 -18.356 1.00 0.63 H new ATOM 0 HB2 ALA A 103 5.879 -15.239 -16.980 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.583 -14.053 -16.691 1.00 0.63 H new ATOM 1735 N VAL A 104 5.870 -10.818 -17.192 1.00 0.60 N ATOM 1736 CA VAL A 104 5.358 -9.571 -17.694 1.00 0.63 C ATOM 1737 C VAL A 104 6.392 -8.852 -18.575 1.00 0.76 C ATOM 1738 O VAL A 104 6.206 -8.755 -19.784 1.00 1.68 O ATOM 1739 CB VAL A 104 4.861 -8.711 -16.511 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.758 -8.870 -15.302 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.736 -7.246 -16.877 1.00 0.51 C ATOM 0 H VAL A 104 6.226 -10.773 -16.237 1.00 0.60 H new ATOM 0 HA VAL A 104 4.506 -9.761 -18.347 1.00 0.63 H new ATOM 0 HB VAL A 104 3.865 -9.076 -16.261 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.382 -8.252 -14.486 1.00 0.60 H new ATOM 0 HG12 VAL A 104 5.768 -9.915 -14.991 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.771 -8.557 -15.557 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.383 -6.684 -16.012 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.709 -6.864 -17.186 1.00 0.51 H new ATOM 0 HG23 VAL A 104 4.026 -7.135 -17.696 1.00 0.51 H new ATOM 1751 N THR A 105 7.444 -8.319 -17.951 1.00 0.77 N ATOM 1752 CA THR A 105 8.611 -7.756 -18.656 1.00 0.79 C ATOM 1753 C THR A 105 8.287 -6.480 -19.439 1.00 0.75 C ATOM 1754 O THR A 105 9.106 -6.012 -20.230 1.00 0.95 O ATOM 1755 CB THR A 105 9.299 -8.780 -19.603 1.00 0.94 C ATOM 1756 OG1 THR A 105 8.498 -9.045 -20.763 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.568 -10.085 -18.877 1.00 1.03 C ATOM 0 H THR A 105 7.517 -8.263 -16.935 1.00 0.77 H new ATOM 0 HA THR A 105 9.307 -7.499 -17.858 1.00 0.79 H new ATOM 0 HB THR A 105 10.243 -8.337 -19.922 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.629 -8.602 -20.669 1.00 0.88 H new ATOM 0 HG21 THR A 105 10.050 -10.787 -19.557 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.222 -9.899 -18.025 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.626 -10.507 -18.527 1.00 1.03 H new ATOM 1765 N ASP A 106 7.122 -5.905 -19.205 1.00 0.77 N ATOM 1766 CA ASP A 106 6.810 -4.586 -19.740 1.00 0.79 C ATOM 1767 C ASP A 106 7.266 -3.513 -18.759 1.00 0.73 C ATOM 1768 O ASP A 106 7.054 -3.637 -17.551 1.00 0.72 O ATOM 1769 CB ASP A 106 5.317 -4.456 -20.022 1.00 0.79 C ATOM 1770 CG ASP A 106 4.913 -5.062 -21.350 1.00 1.35 C ATOM 1771 OD1 ASP A 106 4.892 -6.306 -21.459 1.00 2.07 O ATOM 1772 OD2 ASP A 106 4.618 -4.304 -22.298 1.00 1.38 O ATOM 0 H ASP A 106 6.376 -6.326 -18.651 1.00 0.77 H new ATOM 0 HA ASP A 106 7.341 -4.454 -20.683 1.00 0.79 H new ATOM 0 HB2 ASP A 106 4.758 -4.941 -19.222 1.00 0.79 H new ATOM 0 HB3 ASP A 106 5.041 -3.402 -20.010 1.00 0.79 H new ATOM 1777 N GLU A 107 7.897 -2.473 -19.290 1.00 0.71 N ATOM 1778 CA GLU A 107 8.710 -1.556 -18.492 1.00 0.69 C ATOM 1779 C GLU A 107 7.958 -0.863 -17.357 1.00 0.66 C ATOM 1780 O GLU A 107 8.374 -0.935 -16.199 1.00 0.63 O ATOM 1781 CB GLU A 107 9.364 -0.504 -19.384 1.00 0.73 C ATOM 1782 CG GLU A 107 10.252 0.457 -18.611 1.00 1.63 C ATOM 1783 CD GLU A 107 10.944 1.462 -19.499 1.00 2.35 C ATOM 1784 OE1 GLU A 107 10.362 2.537 -19.752 1.00 3.18 O ATOM 1785 OE2 GLU A 107 12.071 1.180 -19.958 1.00 2.65 O ATOM 0 H GLU A 107 7.862 -2.240 -20.282 1.00 0.71 H new ATOM 0 HA GLU A 107 9.465 -2.185 -18.020 1.00 0.69 H new ATOM 0 HB2 GLU A 107 9.957 -1.003 -20.150 1.00 0.73 H new ATOM 0 HB3 GLU A 107 8.588 0.061 -19.900 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.649 0.986 -17.873 1.00 1.63 H new ATOM 0 HG3 GLU A 107 11.002 -0.112 -18.062 1.00 1.63 H new ATOM 1792 N GLU A 108 6.851 -0.202 -17.685 1.00 0.67 N ATOM 1793 CA GLU A 108 6.079 0.526 -16.682 1.00 0.66 C ATOM 1794 C GLU A 108 5.451 -0.426 -15.676 1.00 0.58 C ATOM 1795 O GLU A 108 5.289 -0.089 -14.507 1.00 0.54 O ATOM 1796 CB GLU A 108 5.000 1.384 -17.342 1.00 0.76 C ATOM 1797 CG GLU A 108 5.532 2.661 -17.968 1.00 1.46 C ATOM 1798 CD GLU A 108 6.077 3.624 -16.935 1.00 2.09 C ATOM 1799 OE1 GLU A 108 5.271 4.247 -16.212 1.00 2.40 O ATOM 1800 OE2 GLU A 108 7.317 3.749 -16.834 1.00 2.78 O ATOM 0 H GLU A 108 6.471 -0.155 -18.630 1.00 0.67 H new ATOM 0 HA GLU A 108 6.767 1.182 -16.149 1.00 0.66 H new ATOM 0 HB2 GLU A 108 4.499 0.795 -18.110 1.00 0.76 H new ATOM 0 HB3 GLU A 108 4.247 1.642 -16.597 1.00 0.76 H new ATOM 0 HG2 GLU A 108 6.318 2.413 -18.681 1.00 1.46 H new ATOM 0 HG3 GLU A 108 4.734 3.147 -18.530 1.00 1.46 H new ATOM 1807 N LYS A 109 5.072 -1.606 -16.130 1.00 0.59 N ATOM 1808 CA LYS A 109 4.561 -2.632 -15.240 1.00 0.55 C ATOM 1809 C LYS A 109 5.656 -3.102 -14.275 1.00 0.51 C ATOM 1810 O LYS A 109 5.408 -3.300 -13.086 1.00 0.48 O ATOM 1811 CB LYS A 109 4.001 -3.791 -16.061 1.00 0.58 C ATOM 1812 CG LYS A 109 2.735 -3.419 -16.824 1.00 0.65 C ATOM 1813 CD LYS A 109 2.311 -4.509 -17.793 1.00 1.22 C ATOM 1814 CE LYS A 109 1.000 -4.167 -18.481 1.00 1.11 C ATOM 1815 NZ LYS A 109 1.089 -2.907 -19.269 1.00 1.81 N ATOM 0 H LYS A 109 5.108 -1.878 -17.112 1.00 0.59 H new ATOM 0 HA LYS A 109 3.753 -2.218 -14.637 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.759 -4.129 -16.768 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.787 -4.629 -15.398 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.928 -3.230 -16.116 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.902 -2.492 -17.372 1.00 0.65 H new ATOM 0 HD2 LYS A 109 3.089 -4.653 -18.543 1.00 1.22 H new ATOM 0 HD3 LYS A 109 2.206 -5.452 -17.257 1.00 1.22 H new ATOM 0 HE2 LYS A 109 0.714 -4.986 -19.140 1.00 1.11 H new ATOM 0 HE3 LYS A 109 0.214 -4.070 -17.733 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 0.227 -2.793 -19.840 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 1.185 -2.099 -18.622 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 1.917 -2.948 -19.897 1.00 1.81 H new ATOM 1829 N LYS A 110 6.876 -3.250 -14.784 1.00 0.53 N ATOM 1830 CA LYS A 110 8.016 -3.620 -13.945 1.00 0.53 C ATOM 1831 C LYS A 110 8.478 -2.459 -13.065 1.00 0.51 C ATOM 1832 O LYS A 110 9.253 -2.639 -12.123 1.00 0.51 O ATOM 1833 CB LYS A 110 9.208 -4.071 -14.791 1.00 0.56 C ATOM 1834 CG LYS A 110 9.000 -5.364 -15.557 1.00 0.62 C ATOM 1835 CD LYS A 110 10.333 -5.930 -16.018 1.00 0.80 C ATOM 1836 CE LYS A 110 10.975 -5.060 -17.085 1.00 0.81 C ATOM 1837 NZ LYS A 110 12.353 -5.509 -17.413 1.00 1.14 N ATOM 0 H LYS A 110 7.102 -3.120 -15.770 1.00 0.53 H new ATOM 0 HA LYS A 110 7.671 -4.440 -13.316 1.00 0.53 H new ATOM 0 HB2 LYS A 110 9.449 -3.280 -15.502 1.00 0.56 H new ATOM 0 HB3 LYS A 110 10.073 -4.188 -14.139 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.489 -6.090 -14.925 1.00 0.62 H new ATOM 0 HG3 LYS A 110 8.357 -5.184 -16.419 1.00 0.62 H new ATOM 0 HD2 LYS A 110 11.006 -6.016 -15.165 1.00 0.80 H new ATOM 0 HD3 LYS A 110 10.185 -6.936 -16.410 1.00 0.80 H new ATOM 0 HE2 LYS A 110 10.363 -5.080 -17.986 1.00 0.81 H new ATOM 0 HE3 LYS A 110 11.003 -4.026 -16.742 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 12.755 -4.889 -18.145 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 12.945 -5.465 -16.559 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 12.325 -6.487 -17.765 1.00 1.14 H new ATOM 1851 N GLN A 111 7.964 -1.276 -13.377 1.00 0.51 N ATOM 1852 CA GLN A 111 8.138 -0.126 -12.499 1.00 0.51 C ATOM 1853 C GLN A 111 7.412 -0.409 -11.189 1.00 0.50 C ATOM 1854 O GLN A 111 7.942 -0.189 -10.110 1.00 0.51 O ATOM 1855 CB GLN A 111 7.584 1.150 -13.156 1.00 0.52 C ATOM 1856 CG GLN A 111 8.211 2.466 -12.688 1.00 1.08 C ATOM 1857 CD GLN A 111 8.092 2.718 -11.193 1.00 1.23 C ATOM 1858 OE1 GLN A 111 7.094 3.266 -10.715 1.00 1.69 O ATOM 1859 NE2 GLN A 111 9.125 2.352 -10.449 1.00 1.61 N ATOM 0 H GLN A 111 7.428 -1.088 -14.224 1.00 0.51 H new ATOM 0 HA GLN A 111 9.199 0.035 -12.310 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.719 1.069 -14.235 1.00 0.52 H new ATOM 0 HB3 GLN A 111 6.511 1.195 -12.971 1.00 0.52 H new ATOM 0 HG2 GLN A 111 9.266 2.470 -12.963 1.00 1.08 H new ATOM 0 HG3 GLN A 111 7.739 3.290 -13.222 1.00 1.08 H new ATOM 0 HE21 GLN A 111 9.931 1.902 -10.882 1.00 1.61 H new ATOM 0 HE22 GLN A 111 9.114 2.520 -9.443 1.00 1.61 H new ATOM 1868 N TYR A 112 6.218 -0.983 -11.306 1.00 0.50 N ATOM 1869 CA TYR A 112 5.414 -1.340 -10.143 1.00 0.49 C ATOM 1870 C TYR A 112 6.014 -2.548 -9.440 1.00 0.49 C ATOM 1871 O TYR A 112 5.929 -2.670 -8.221 1.00 0.50 O ATOM 1872 CB TYR A 112 3.966 -1.633 -10.546 1.00 0.49 C ATOM 1873 CG TYR A 112 3.173 -0.397 -10.907 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.538 0.351 -9.923 1.00 0.70 C ATOM 1875 CD2 TYR A 112 3.057 0.019 -12.226 1.00 0.66 C ATOM 1876 CE1 TYR A 112 1.810 1.480 -10.244 1.00 0.82 C ATOM 1877 CE2 TYR A 112 2.328 1.147 -12.554 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.708 1.874 -11.560 1.00 0.80 C ATOM 1879 OH TYR A 112 0.978 2.995 -11.885 1.00 0.92 O ATOM 0 H TYR A 112 5.784 -1.212 -12.201 1.00 0.50 H new ATOM 0 HA TYR A 112 5.414 -0.492 -9.458 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.966 -2.315 -11.396 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.467 -2.147 -9.725 1.00 0.49 H new ATOM 0 HD1 TYR A 112 2.615 0.045 -8.890 1.00 0.70 H new ATOM 0 HD2 TYR A 112 3.543 -0.546 -13.007 1.00 0.66 H new ATOM 0 HE1 TYR A 112 1.323 2.051 -9.467 1.00 0.82 H new ATOM 0 HE2 TYR A 112 2.244 1.458 -13.585 1.00 0.75 H new ATOM 0 HH TYR A 112 1.008 3.135 -12.854 1.00 0.92 H new ATOM 1889 N ILE A 113 6.625 -3.440 -10.209 1.00 0.49 N ATOM 1890 CA ILE A 113 7.310 -4.585 -9.630 1.00 0.51 C ATOM 1891 C ILE A 113 8.430 -4.121 -8.694 1.00 0.53 C ATOM 1892 O ILE A 113 8.553 -4.599 -7.568 1.00 0.54 O ATOM 1893 CB ILE A 113 7.906 -5.503 -10.710 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.791 -6.036 -11.604 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.681 -6.652 -10.074 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.275 -7.016 -12.638 1.00 0.72 C ATOM 0 H ILE A 113 6.660 -3.393 -11.227 1.00 0.49 H new ATOM 0 HA ILE A 113 6.567 -5.151 -9.069 1.00 0.51 H new ATOM 0 HB ILE A 113 8.602 -4.926 -11.318 1.00 0.57 H new ATOM 0 HG12 ILE A 113 6.035 -6.517 -10.983 1.00 0.63 H new ATOM 0 HG13 ILE A 113 6.305 -5.199 -12.106 1.00 0.63 H new ATOM 0 HG21 ILE A 113 9.094 -7.289 -10.856 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.492 -6.251 -9.466 1.00 0.59 H new ATOM 0 HG23 ILE A 113 8.011 -7.238 -9.445 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.432 -7.356 -13.240 1.00 0.72 H new ATOM 0 HD12 ILE A 113 8.009 -6.532 -13.282 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.735 -7.871 -12.142 1.00 0.72 H new ATOM 1908 N ALA A 114 9.238 -3.186 -9.178 1.00 0.56 N ATOM 1909 CA ALA A 114 10.315 -2.602 -8.381 1.00 0.59 C ATOM 1910 C ALA A 114 9.750 -1.718 -7.277 1.00 0.59 C ATOM 1911 O ALA A 114 10.239 -1.733 -6.147 1.00 0.60 O ATOM 1912 CB ALA A 114 11.240 -1.795 -9.285 1.00 0.63 C ATOM 0 H ALA A 114 9.169 -2.812 -10.125 1.00 0.56 H new ATOM 0 HA ALA A 114 10.882 -3.406 -7.913 1.00 0.59 H new ATOM 0 HB1 ALA A 114 12.043 -1.360 -8.689 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.666 -2.449 -10.046 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.673 -0.998 -9.767 1.00 0.63 H new ATOM 1918 N ASP A 115 8.721 -0.965 -7.605 1.00 0.61 N ATOM 1919 CA ASP A 115 8.167 0.026 -6.691 1.00 0.66 C ATOM 1920 C ASP A 115 7.363 -0.620 -5.569 1.00 0.60 C ATOM 1921 O ASP A 115 7.700 -0.487 -4.396 1.00 0.59 O ATOM 1922 CB ASP A 115 7.291 0.996 -7.481 1.00 0.77 C ATOM 1923 CG ASP A 115 6.619 2.039 -6.622 1.00 1.03 C ATOM 1924 OD1 ASP A 115 7.331 2.772 -5.908 1.00 1.20 O ATOM 1925 OD2 ASP A 115 5.382 2.165 -6.715 1.00 1.73 O ATOM 0 H ASP A 115 8.244 -1.018 -8.505 1.00 0.61 H new ATOM 0 HA ASP A 115 8.993 0.563 -6.224 1.00 0.66 H new ATOM 0 HB2 ASP A 115 7.903 1.495 -8.233 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.528 0.431 -8.015 1.00 0.77 H new ATOM 1930 N PHE A 116 6.329 -1.344 -5.946 1.00 0.60 N ATOM 1931 CA PHE A 116 5.387 -1.873 -4.971 1.00 0.60 C ATOM 1932 C PHE A 116 5.700 -3.322 -4.610 1.00 0.56 C ATOM 1933 O PHE A 116 5.377 -3.761 -3.513 1.00 0.55 O ATOM 1934 CB PHE A 116 3.958 -1.758 -5.497 1.00 0.68 C ATOM 1935 CG PHE A 116 3.045 -0.958 -4.622 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.408 -1.546 -3.545 1.00 1.01 C ATOM 1937 CD2 PHE A 116 2.813 0.378 -4.892 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.551 -0.816 -2.747 1.00 1.29 C ATOM 1939 CE2 PHE A 116 1.959 1.117 -4.095 1.00 1.62 C ATOM 1940 CZ PHE A 116 1.327 0.517 -3.021 1.00 1.52 C ATOM 0 H PHE A 116 6.117 -1.581 -6.915 1.00 0.60 H new ATOM 0 HA PHE A 116 5.484 -1.277 -4.064 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.983 -1.305 -6.488 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.544 -2.760 -5.615 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.583 -2.589 -3.326 1.00 1.01 H new ATOM 0 HD2 PHE A 116 3.303 0.848 -5.732 1.00 1.11 H new ATOM 0 HE1 PHE A 116 1.057 -1.287 -1.910 1.00 1.29 H new ATOM 0 HE2 PHE A 116 1.786 2.161 -4.311 1.00 1.62 H new ATOM 0 HZ PHE A 116 0.659 1.092 -2.397 1.00 1.52 H new ATOM 1950 N GLY A 117 6.357 -4.039 -5.518 1.00 0.55 N ATOM 1951 CA GLY A 117 6.591 -5.473 -5.338 1.00 0.56 C ATOM 1952 C GLY A 117 7.079 -5.870 -3.941 1.00 0.54 C ATOM 1953 O GLY A 117 6.394 -6.622 -3.235 1.00 0.55 O ATOM 0 H GLY A 117 6.736 -3.654 -6.383 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.666 -6.008 -5.551 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.326 -5.803 -6.072 1.00 0.56 H new ATOM 1957 N PRO A 118 8.253 -5.373 -3.503 1.00 0.52 N ATOM 1958 CA PRO A 118 8.836 -5.751 -2.205 1.00 0.53 C ATOM 1959 C PRO A 118 7.931 -5.397 -1.029 1.00 0.46 C ATOM 1960 O PRO A 118 7.870 -6.122 -0.039 1.00 0.45 O ATOM 1961 CB PRO A 118 10.133 -4.936 -2.139 1.00 0.54 C ATOM 1962 CG PRO A 118 9.934 -3.826 -3.112 1.00 0.65 C ATOM 1963 CD PRO A 118 9.103 -4.407 -4.216 1.00 0.53 C ATOM 0 HA PRO A 118 8.987 -6.828 -2.134 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.309 -4.554 -1.134 1.00 0.54 H new ATOM 0 HB3 PRO A 118 10.997 -5.545 -2.405 1.00 0.54 H new ATOM 0 HG2 PRO A 118 9.430 -2.980 -2.645 1.00 0.65 H new ATOM 0 HG3 PRO A 118 10.888 -3.459 -3.490 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.512 -3.644 -4.723 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.718 -4.891 -4.975 1.00 0.53 H new ATOM 1971 N ALA A 119 7.220 -4.287 -1.149 1.00 0.46 N ATOM 1972 CA ALA A 119 6.346 -3.823 -0.087 1.00 0.42 C ATOM 1973 C ALA A 119 5.035 -4.591 -0.078 1.00 0.44 C ATOM 1974 O ALA A 119 4.471 -4.865 0.980 1.00 0.43 O ATOM 1975 CB ALA A 119 6.072 -2.341 -0.243 1.00 0.41 C ATOM 0 H ALA A 119 7.232 -3.689 -1.976 1.00 0.46 H new ATOM 0 HA ALA A 119 6.852 -3.998 0.862 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.415 -2.006 0.560 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.012 -1.790 -0.197 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.592 -2.159 -1.204 1.00 0.41 H new ATOM 1981 N CYS A 120 4.569 -4.967 -1.268 1.00 0.47 N ATOM 1982 CA CYS A 120 3.452 -5.892 -1.410 1.00 0.50 C ATOM 1983 C CYS A 120 3.715 -7.181 -0.636 1.00 0.52 C ATOM 1984 O CYS A 120 2.785 -7.803 -0.135 1.00 0.53 O ATOM 1985 CB CYS A 120 3.207 -6.230 -2.882 1.00 0.56 C ATOM 1986 SG CYS A 120 2.576 -4.848 -3.882 1.00 1.17 S ATOM 0 H CYS A 120 4.954 -4.640 -2.154 1.00 0.47 H new ATOM 0 HA CYS A 120 2.567 -5.403 -1.004 1.00 0.50 H new ATOM 0 HB2 CYS A 120 4.141 -6.582 -3.321 1.00 0.56 H new ATOM 0 HB3 CYS A 120 2.497 -7.056 -2.938 1.00 0.56 H new ATOM 1991 N LYS A 121 4.982 -7.582 -0.551 1.00 0.54 N ATOM 1992 CA LYS A 121 5.355 -8.775 0.213 1.00 0.58 C ATOM 1993 C LYS A 121 4.874 -8.705 1.664 1.00 0.59 C ATOM 1994 O LYS A 121 4.187 -9.615 2.127 1.00 0.65 O ATOM 1995 CB LYS A 121 6.865 -9.004 0.170 1.00 0.63 C ATOM 1996 CG LYS A 121 7.296 -10.031 -0.867 1.00 1.01 C ATOM 1997 CD LYS A 121 6.843 -9.648 -2.266 1.00 1.04 C ATOM 1998 CE LYS A 121 7.257 -10.689 -3.291 1.00 1.37 C ATOM 1999 NZ LYS A 121 8.736 -10.838 -3.367 1.00 1.47 N ATOM 0 H LYS A 121 5.764 -7.103 -0.998 1.00 0.54 H new ATOM 0 HA LYS A 121 4.856 -9.620 -0.261 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.362 -8.057 -0.040 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.203 -9.330 1.154 1.00 0.63 H new ATOM 0 HG2 LYS A 121 8.381 -10.129 -0.851 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.884 -11.006 -0.606 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.759 -9.534 -2.280 1.00 1.04 H new ATOM 0 HD3 LYS A 121 7.269 -8.681 -2.535 1.00 1.04 H new ATOM 0 HE2 LYS A 121 6.808 -11.649 -3.035 1.00 1.37 H new ATOM 0 HE3 LYS A 121 6.870 -10.408 -4.270 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 8.987 -11.384 -4.216 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 9.178 -9.898 -3.417 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 9.079 -11.337 -2.521 1.00 1.47 H new ATOM 2013 N LYS A 122 5.252 -7.648 2.388 1.00 0.54 N ATOM 2014 CA LYS A 122 4.776 -7.490 3.766 1.00 0.55 C ATOM 2015 C LYS A 122 3.262 -7.264 3.772 1.00 0.53 C ATOM 2016 O LYS A 122 2.586 -7.588 4.746 1.00 0.57 O ATOM 2017 CB LYS A 122 5.523 -6.370 4.508 1.00 0.52 C ATOM 2018 CG LYS A 122 5.355 -4.977 3.924 1.00 0.46 C ATOM 2019 CD LYS A 122 6.265 -3.973 4.624 1.00 0.47 C ATOM 2020 CE LYS A 122 5.975 -3.884 6.117 1.00 1.15 C ATOM 2021 NZ LYS A 122 6.958 -3.030 6.835 1.00 1.50 N ATOM 0 H LYS A 122 5.869 -6.907 2.056 1.00 0.54 H new ATOM 0 HA LYS A 122 4.990 -8.411 4.309 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.184 -6.355 5.544 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.585 -6.613 4.524 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.582 -4.997 2.858 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.316 -4.661 4.023 1.00 0.46 H new ATOM 0 HD2 LYS A 122 7.306 -4.260 4.473 1.00 0.47 H new ATOM 0 HD3 LYS A 122 6.137 -2.990 4.171 1.00 0.47 H new ATOM 0 HE2 LYS A 122 4.972 -3.484 6.266 1.00 1.15 H new ATOM 0 HE3 LYS A 122 5.986 -4.886 6.547 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 6.941 -3.259 7.849 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.911 -3.204 6.457 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 6.711 -2.029 6.702 1.00 1.50 H new ATOM 2035 N ILE A 123 2.741 -6.686 2.697 1.00 0.49 N ATOM 2036 CA ILE A 123 1.313 -6.403 2.598 1.00 0.48 C ATOM 2037 C ILE A 123 0.475 -7.680 2.520 1.00 0.51 C ATOM 2038 O ILE A 123 -0.504 -7.881 3.237 1.00 0.54 O ATOM 2039 CB ILE A 123 1.004 -5.512 1.388 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.589 -4.121 1.618 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.499 -5.431 1.156 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.429 -3.200 0.439 1.00 0.44 C ATOM 0 H ILE A 123 3.285 -6.404 1.881 1.00 0.49 H new ATOM 0 HA ILE A 123 1.042 -5.873 3.511 1.00 0.48 H new ATOM 0 HB ILE A 123 1.459 -5.946 0.498 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.108 -3.672 2.487 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.649 -4.216 1.854 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.700 -4.795 0.294 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.893 -6.430 0.970 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.981 -5.010 2.038 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.867 -2.230 0.673 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.934 -3.627 -0.427 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.369 -3.075 0.216 1.00 0.44 H new ATOM 2054 N TYR A 124 0.937 -8.546 1.633 1.00 0.52 N ATOM 2055 CA TYR A 124 0.448 -9.905 1.441 1.00 0.58 C ATOM 2056 C TYR A 124 1.044 -10.843 2.488 1.00 0.64 C ATOM 2057 O TYR A 124 0.993 -12.053 2.319 1.00 0.82 O ATOM 2058 CB TYR A 124 0.761 -10.398 0.029 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.075 -9.722 -1.037 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -1.440 -9.962 -1.128 1.00 1.14 C ATOM 2061 CD2 TYR A 124 0.496 -8.836 -1.942 1.00 0.95 C ATOM 2062 CE1 TYR A 124 -2.211 -9.342 -2.090 1.00 1.28 C ATOM 2063 CE2 TYR A 124 -0.268 -8.210 -2.906 1.00 1.05 C ATOM 2064 CZ TYR A 124 -1.621 -8.467 -2.977 1.00 0.95 C ATOM 2065 OH TYR A 124 -2.387 -7.841 -3.931 1.00 1.17 O ATOM 0 H TYR A 124 1.699 -8.311 0.997 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.635 -9.900 1.565 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.816 -10.227 -0.183 1.00 0.59 H new ATOM 0 HB3 TYR A 124 0.597 -11.475 -0.018 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -1.906 -10.646 -0.434 1.00 1.14 H new ATOM 0 HD2 TYR A 124 1.556 -8.634 -1.890 1.00 0.95 H new ATOM 0 HE1 TYR A 124 -3.271 -9.541 -2.148 1.00 1.28 H new ATOM 0 HE2 TYR A 124 0.191 -7.523 -3.601 1.00 1.05 H new ATOM 0 HH TYR A 124 -3.006 -7.218 -3.496 1.00 1.17 H new ATOM 2075 N GLY A 125 1.435 -10.238 3.618 1.00 0.73 N ATOM 2076 CA GLY A 125 2.537 -10.621 4.532 1.00 0.86 C ATOM 2077 C GLY A 125 3.159 -12.009 4.422 1.00 0.71 C ATOM 2078 O GLY A 125 3.575 -12.580 5.434 1.00 0.78 O ATOM 0 H GLY A 125 0.955 -9.401 3.949 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.338 -9.893 4.400 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.169 -10.508 5.552 1.00 0.86 H new ATOM 2082 N VAL A 126 3.191 -12.555 3.223 1.00 0.71 N ATOM 2083 CA VAL A 126 4.013 -13.719 2.902 1.00 0.84 C ATOM 2084 C VAL A 126 5.427 -13.544 3.467 1.00 0.99 C ATOM 2085 O VAL A 126 6.060 -14.502 3.910 1.00 1.53 O ATOM 2086 CB VAL A 126 4.110 -13.942 1.371 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.765 -14.343 0.788 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.628 -12.694 0.670 1.00 0.98 C ATOM 0 H VAL A 126 2.646 -12.206 2.434 1.00 0.71 H new ATOM 0 HA VAL A 126 3.535 -14.588 3.354 1.00 0.84 H new ATOM 0 HB VAL A 126 4.816 -14.756 1.204 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.864 -14.492 -0.287 1.00 1.38 H new ATOM 0 HG12 VAL A 126 2.428 -15.269 1.253 1.00 1.38 H new ATOM 0 HG13 VAL A 126 2.036 -13.555 0.979 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.687 -12.877 -0.403 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.950 -11.862 0.860 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.619 -12.448 1.051 1.00 0.98 H new