USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 433 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 54 GLN : amide:sc= -10! C(o=-9.5!,f=-14!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -142:sc= 0.556 (180deg=0) USER MOD Set 1.3: A 58 TYR OH : rot 180:sc= 0.0142 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.778 K(o=-0.78,f=-1.6!) USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= -0.141 (180deg=-2.72!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.56 X(o=-2.6,f=-3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.681 F(o=-2.8!,f=-0.68) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.735 K(o=-0.74,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 11 3.887 1.865 9.175 1.00 0.00 N ATOM 117 CA TRP A 11 2.498 1.419 9.169 1.00 0.00 C ATOM 118 C TRP A 11 2.196 0.563 10.394 1.00 0.00 C ATOM 119 O TRP A 11 2.970 -0.326 10.750 1.00 0.00 O ATOM 120 CB TRP A 11 2.200 0.629 7.894 1.00 0.00 C ATOM 121 CG TRP A 11 2.219 1.472 6.655 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.315 2.029 6.059 1.00 0.00 C ATOM 123 CD2 TRP A 11 1.091 1.855 5.861 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.935 2.736 4.943 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.576 2.644 4.800 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.282 1.607 5.943 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.736 3.185 3.830 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.115 2.146 4.981 1.00 0.00 C ATOM 129 CH2 TRP A 11 -0.604 2.926 3.935 1.00 0.00 C ATOM 0 HA TRP A 11 1.859 2.302 9.199 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.933 -0.171 7.791 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.222 0.156 7.988 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.331 1.929 6.413 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.563 3.246 4.322 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.685 1.005 6.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.128 3.787 3.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.178 1.963 5.036 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.281 3.331 3.197 1.00 0.00 H new ATOM 140 N THR A 12 1.065 0.837 11.037 1.00 0.00 N ATOM 141 CA THR A 12 0.661 0.092 12.223 1.00 0.00 C ATOM 142 C THR A 12 -0.354 -0.991 11.874 1.00 0.00 C ATOM 143 O THR A 12 -1.149 -0.835 10.947 1.00 0.00 O ATOM 144 CB THR A 12 0.054 1.022 13.291 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.237 0.279 14.480 1.00 0.00 O ATOM 146 CG2 THR A 12 -1.216 1.682 12.775 1.00 0.00 C ATOM 0 H THR A 12 0.413 1.569 10.756 1.00 0.00 H new ATOM 0 HA THR A 12 1.561 -0.373 12.625 1.00 0.00 H new ATOM 0 HB THR A 12 0.782 1.800 13.519 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.621 0.878 15.154 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.626 2.334 13.546 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.985 2.271 11.887 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.948 0.915 12.521 1.00 0.00 H new ATOM 154 N VAL A 13 -0.320 -2.090 12.621 1.00 0.00 N ATOM 155 CA VAL A 13 -1.239 -3.199 12.391 1.00 0.00 C ATOM 156 C VAL A 13 -2.598 -2.698 11.915 1.00 0.00 C ATOM 157 O VAL A 13 -3.090 -3.111 10.866 1.00 0.00 O ATOM 158 CB VAL A 13 -1.432 -4.041 13.666 1.00 0.00 C ATOM 159 CG1 VAL A 13 -2.502 -5.100 13.449 1.00 0.00 C ATOM 160 CG2 VAL A 13 -0.117 -4.680 14.086 1.00 0.00 C ATOM 0 H VAL A 13 0.334 -2.236 13.390 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.794 -3.823 11.616 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.763 -3.382 14.469 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.625 -5.685 14.360 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.446 -4.617 13.198 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.203 -5.758 12.633 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.272 -5.271 14.989 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.245 -5.326 13.286 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.619 -3.901 14.284 1.00 0.00 H new ATOM 170 N GLU A 14 -3.199 -1.804 12.695 1.00 0.00 N ATOM 171 CA GLU A 14 -4.502 -1.247 12.352 1.00 0.00 C ATOM 172 C GLU A 14 -4.546 -0.827 10.886 1.00 0.00 C ATOM 173 O GLU A 14 -5.386 -1.299 10.120 1.00 0.00 O ATOM 174 CB GLU A 14 -4.819 -0.047 13.247 1.00 0.00 C ATOM 175 CG GLU A 14 -5.471 -0.426 14.566 1.00 0.00 C ATOM 176 CD GLU A 14 -5.767 0.778 15.438 1.00 0.00 C ATOM 177 OE1 GLU A 14 -4.869 1.193 16.201 1.00 0.00 O ATOM 178 OE2 GLU A 14 -6.896 1.305 15.359 1.00 0.00 O ATOM 0 H GLU A 14 -2.805 -1.451 13.567 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.253 -2.021 12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.897 0.497 13.451 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.478 0.633 12.708 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.399 -0.963 14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.817 -1.110 15.107 1.00 0.00 H new ATOM 185 N GLU A 15 -3.635 0.063 10.503 1.00 0.00 N ATOM 186 CA GLU A 15 -3.572 0.547 9.129 1.00 0.00 C ATOM 187 C GLU A 15 -3.283 -0.598 8.162 1.00 0.00 C ATOM 188 O GLU A 15 -4.012 -0.802 7.191 1.00 0.00 O ATOM 189 CB GLU A 15 -2.495 1.626 8.995 1.00 0.00 C ATOM 190 CG GLU A 15 -2.922 2.982 9.531 1.00 0.00 C ATOM 191 CD GLU A 15 -3.743 2.875 10.801 1.00 0.00 C ATOM 192 OE1 GLU A 15 -4.812 2.231 10.765 1.00 0.00 O ATOM 193 OE2 GLU A 15 -3.315 3.435 11.832 1.00 0.00 O ATOM 0 H GLU A 15 -2.932 0.463 11.124 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.541 0.977 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.599 1.301 9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.224 1.729 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.036 3.587 9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.503 3.503 8.770 1.00 0.00 H new ATOM 200 N GLN A 16 -2.216 -1.341 8.435 1.00 0.00 N ATOM 201 CA GLN A 16 -1.830 -2.464 7.588 1.00 0.00 C ATOM 202 C GLN A 16 -3.060 -3.202 7.070 1.00 0.00 C ATOM 203 O GLN A 16 -3.371 -3.154 5.880 1.00 0.00 O ATOM 204 CB GLN A 16 -0.930 -3.428 8.363 1.00 0.00 C ATOM 205 CG GLN A 16 0.527 -2.998 8.407 1.00 0.00 C ATOM 206 CD GLN A 16 1.465 -4.147 8.720 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.446 -5.180 8.050 1.00 0.00 O ATOM 208 NE2 GLN A 16 2.295 -3.973 9.742 1.00 0.00 N ATOM 0 H GLN A 16 -1.603 -1.186 9.236 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.279 -2.071 6.734 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.304 -3.520 9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.995 -4.417 7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.802 -2.561 7.447 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.649 -2.219 9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.277 -3.101 10.271 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.950 -4.712 9.998 1.00 0.00 H new ATOM 217 N LYS A 17 -3.757 -3.886 7.972 1.00 0.00 N ATOM 218 CA LYS A 17 -4.954 -4.634 7.608 1.00 0.00 C ATOM 219 C LYS A 17 -5.997 -3.719 6.974 1.00 0.00 C ATOM 220 O LYS A 17 -6.595 -4.056 5.952 1.00 0.00 O ATOM 221 CB LYS A 17 -5.546 -5.322 8.840 1.00 0.00 C ATOM 222 CG LYS A 17 -6.041 -4.351 9.899 1.00 0.00 C ATOM 223 CD LYS A 17 -6.549 -5.081 11.131 1.00 0.00 C ATOM 224 CE LYS A 17 -6.428 -4.220 12.378 1.00 0.00 C ATOM 225 NZ LYS A 17 -7.175 -4.801 13.528 1.00 0.00 N ATOM 0 H LYS A 17 -3.513 -3.937 8.961 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.669 -5.392 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.373 -5.959 8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.791 -5.973 9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.233 -3.677 10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.839 -3.735 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.591 -5.365 10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.984 -6.003 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.377 -4.113 12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.807 -3.220 12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.068 -4.185 14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.183 -4.880 13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.797 -5.745 13.746 1.00 0.00 H new ATOM 239 N LYS A 18 -6.208 -2.558 7.585 1.00 0.00 N ATOM 240 CA LYS A 18 -7.176 -1.592 7.080 1.00 0.00 C ATOM 241 C LYS A 18 -7.001 -1.380 5.580 1.00 0.00 C ATOM 242 O LYS A 18 -7.979 -1.276 4.838 1.00 0.00 O ATOM 243 CB LYS A 18 -7.027 -0.258 7.815 1.00 0.00 C ATOM 244 CG LYS A 18 -8.111 0.750 7.472 1.00 0.00 C ATOM 245 CD LYS A 18 -8.346 1.726 8.613 1.00 0.00 C ATOM 246 CE LYS A 18 -9.631 2.515 8.415 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.210 2.966 9.711 1.00 0.00 N ATOM 0 H LYS A 18 -5.721 -2.263 8.431 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.175 -1.989 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.040 -0.441 8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.054 0.172 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.827 1.300 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.039 0.225 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.394 1.181 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.503 2.413 8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.432 3.382 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.358 1.898 7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.085 3.500 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.424 2.138 10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.526 3.576 10.203 1.00 0.00 H new ATOM 261 N LEU A 19 -5.749 -1.317 5.138 1.00 0.00 N ATOM 262 CA LEU A 19 -5.446 -1.119 3.725 1.00 0.00 C ATOM 263 C LEU A 19 -5.815 -2.354 2.910 1.00 0.00 C ATOM 264 O LEU A 19 -6.663 -2.291 2.021 1.00 0.00 O ATOM 265 CB LEU A 19 -3.961 -0.799 3.542 1.00 0.00 C ATOM 266 CG LEU A 19 -3.396 -1.015 2.138 1.00 0.00 C ATOM 267 CD1 LEU A 19 -4.082 -0.097 1.139 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.891 -0.787 2.128 1.00 0.00 C ATOM 0 H LEU A 19 -4.928 -1.400 5.738 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.040 -0.279 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.797 0.242 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.389 -1.411 4.240 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.590 -2.047 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.667 -0.265 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.151 -0.308 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.921 0.941 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.506 -0.945 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.676 0.234 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.412 -1.487 2.813 1.00 0.00 H new ATOM 280 N GLU A 20 -5.175 -3.476 3.223 1.00 0.00 N ATOM 281 CA GLU A 20 -5.438 -4.726 2.520 1.00 0.00 C ATOM 282 C GLU A 20 -6.908 -4.829 2.124 1.00 0.00 C ATOM 283 O GLU A 20 -7.237 -5.305 1.038 1.00 0.00 O ATOM 284 CB GLU A 20 -5.049 -5.920 3.394 1.00 0.00 C ATOM 285 CG GLU A 20 -3.559 -6.004 3.682 1.00 0.00 C ATOM 286 CD GLU A 20 -3.089 -7.427 3.916 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.245 -7.924 5.051 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.566 -8.042 2.964 1.00 0.00 O ATOM 0 H GLU A 20 -4.471 -3.545 3.958 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.834 -4.737 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.590 -5.860 4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.368 -6.839 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.006 -5.576 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.328 -5.400 4.559 1.00 0.00 H new ATOM 295 N GLN A 21 -7.787 -4.380 3.015 1.00 0.00 N ATOM 296 CA GLN A 21 -9.222 -4.422 2.760 1.00 0.00 C ATOM 297 C GLN A 21 -9.631 -3.339 1.767 1.00 0.00 C ATOM 298 O GLN A 21 -10.402 -3.590 0.840 1.00 0.00 O ATOM 299 CB GLN A 21 -9.999 -4.253 4.066 1.00 0.00 C ATOM 300 CG GLN A 21 -10.041 -5.512 4.917 1.00 0.00 C ATOM 301 CD GLN A 21 -10.374 -6.751 4.108 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.149 -6.694 3.154 1.00 0.00 O ATOM 303 NE2 GLN A 21 -9.787 -7.881 4.487 1.00 0.00 N ATOM 0 H GLN A 21 -7.530 -3.983 3.919 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.460 -5.394 2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.548 -3.448 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.019 -3.947 3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.076 -5.649 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.782 -5.388 5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.151 -7.883 5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.972 -8.747 3.981 1.00 0.00 H new ATOM 312 N LEU A 22 -9.110 -2.133 1.968 1.00 0.00 N ATOM 313 CA LEU A 22 -9.421 -1.010 1.090 1.00 0.00 C ATOM 314 C LEU A 22 -9.013 -1.313 -0.348 1.00 0.00 C ATOM 315 O LEU A 22 -9.719 -0.959 -1.293 1.00 0.00 O ATOM 316 CB LEU A 22 -8.712 0.255 1.578 1.00 0.00 C ATOM 317 CG LEU A 22 -9.274 0.892 2.849 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.185 1.649 3.593 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.436 1.816 2.514 1.00 0.00 C ATOM 0 H LEU A 22 -8.471 -1.908 2.730 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.499 -0.848 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.662 0.016 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.744 0.996 0.779 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.644 0.098 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.604 2.096 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.385 0.961 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.784 2.434 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.823 2.260 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.092 2.605 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.226 1.245 2.026 1.00 0.00 H new ATOM 331 N LEU A 23 -7.871 -1.972 -0.507 1.00 0.00 N ATOM 332 CA LEU A 23 -7.369 -2.326 -1.830 1.00 0.00 C ATOM 333 C LEU A 23 -8.455 -3.004 -2.661 1.00 0.00 C ATOM 334 O LEU A 23 -8.700 -2.625 -3.807 1.00 0.00 O ATOM 335 CB LEU A 23 -6.155 -3.248 -1.707 1.00 0.00 C ATOM 336 CG LEU A 23 -4.836 -2.574 -1.329 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.764 -3.617 -1.050 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.386 -1.626 -2.431 1.00 0.00 C ATOM 0 H LEU A 23 -7.275 -2.272 0.264 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.070 -1.408 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.377 -4.011 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.017 -3.763 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.995 -1.993 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.832 -3.119 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.083 -4.256 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.607 -4.225 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.446 -1.155 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.245 -2.185 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.145 -0.858 -2.583 1.00 0.00 H new ATOM 350 N ILE A 24 -9.103 -4.004 -2.074 1.00 0.00 N ATOM 351 CA ILE A 24 -10.164 -4.732 -2.759 1.00 0.00 C ATOM 352 C ILE A 24 -11.355 -3.824 -3.047 1.00 0.00 C ATOM 353 O ILE A 24 -11.882 -3.806 -4.160 1.00 0.00 O ATOM 354 CB ILE A 24 -10.643 -5.940 -1.933 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.478 -6.896 -1.666 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.772 -6.661 -2.654 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.712 -7.821 -0.492 1.00 0.00 C ATOM 0 H ILE A 24 -8.912 -4.329 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.745 -5.089 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.021 -5.580 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.298 -7.494 -2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.575 -6.313 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.100 -7.512 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.608 -5.976 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.419 -7.012 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.846 -8.470 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.863 -7.231 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.596 -8.430 -0.679 1.00 0.00 H new ATOM 369 N LYS A 25 -11.775 -3.069 -2.037 1.00 0.00 N ATOM 370 CA LYS A 25 -12.902 -2.155 -2.181 1.00 0.00 C ATOM 371 C LYS A 25 -12.666 -1.176 -3.326 1.00 0.00 C ATOM 372 O LYS A 25 -13.569 -0.898 -4.115 1.00 0.00 O ATOM 373 CB LYS A 25 -13.131 -1.387 -0.878 1.00 0.00 C ATOM 374 CG LYS A 25 -14.159 -0.275 -1.000 1.00 0.00 C ATOM 375 CD LYS A 25 -13.865 0.865 -0.040 1.00 0.00 C ATOM 376 CE LYS A 25 -14.238 0.500 1.389 1.00 0.00 C ATOM 377 NZ LYS A 25 -13.786 1.534 2.361 1.00 0.00 N ATOM 0 H LYS A 25 -11.351 -3.072 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.790 -2.745 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.454 -2.086 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.184 -0.961 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.168 0.103 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.153 -0.674 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.806 1.118 -0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.419 1.752 -0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.319 0.380 1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.792 -0.461 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.269 1.077 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.160 2.212 1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.613 2.037 2.743 1.00 0.00 H new ATOM 391 N TYR A 26 -11.446 -0.657 -3.413 1.00 0.00 N ATOM 392 CA TYR A 26 -11.091 0.292 -4.461 1.00 0.00 C ATOM 393 C TYR A 26 -10.234 -0.375 -5.533 1.00 0.00 C ATOM 394 O TYR A 26 -9.008 -0.435 -5.435 1.00 0.00 O ATOM 395 CB TYR A 26 -10.345 1.487 -3.866 1.00 0.00 C ATOM 396 CG TYR A 26 -11.244 2.463 -3.142 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.062 3.338 -3.847 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.275 2.513 -1.754 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.885 4.232 -3.190 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.096 3.403 -1.089 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.899 4.260 -1.811 1.00 0.00 C ATOM 402 OH TYR A 26 -13.717 5.150 -1.152 1.00 0.00 O ATOM 0 H TYR A 26 -10.686 -0.878 -2.770 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.013 0.643 -4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.586 1.123 -3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.822 2.012 -4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.054 3.319 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.646 1.844 -1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.514 4.905 -3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.109 3.427 -0.009 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.608 5.040 -0.184 1.00 0.00 H new ATOM 412 N PRO A 27 -10.894 -0.888 -6.582 1.00 0.00 N ATOM 413 CA PRO A 27 -10.213 -1.559 -7.694 1.00 0.00 C ATOM 414 C PRO A 27 -9.407 -0.588 -8.550 1.00 0.00 C ATOM 415 O PRO A 27 -9.556 0.630 -8.458 1.00 0.00 O ATOM 416 CB PRO A 27 -11.365 -2.158 -8.505 1.00 0.00 C ATOM 417 CG PRO A 27 -12.539 -1.297 -8.189 1.00 0.00 C ATOM 418 CD PRO A 27 -12.354 -0.852 -6.764 1.00 0.00 C ATOM 0 HA PRO A 27 -9.491 -2.297 -7.345 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.144 -2.150 -9.572 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.548 -3.195 -8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.588 -0.441 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.471 -1.849 -8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.755 0.148 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.862 -1.517 -6.066 1.00 0.00 H new ATOM 426 N PRO A 28 -8.531 -1.139 -9.404 1.00 0.00 N ATOM 427 CA PRO A 28 -7.685 -0.339 -10.294 1.00 0.00 C ATOM 428 C PRO A 28 -8.485 0.340 -11.400 1.00 0.00 C ATOM 429 O PRO A 28 -9.539 -0.149 -11.805 1.00 0.00 O ATOM 430 CB PRO A 28 -6.721 -1.370 -10.888 1.00 0.00 C ATOM 431 CG PRO A 28 -7.455 -2.665 -10.807 1.00 0.00 C ATOM 432 CD PRO A 28 -8.301 -2.584 -9.567 1.00 0.00 C ATOM 0 HA PRO A 28 -7.189 0.473 -9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.464 -1.124 -11.918 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.787 -1.408 -10.327 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.073 -2.819 -11.692 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.761 -3.504 -10.752 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.238 -3.129 -9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.790 -3.009 -8.703 1.00 0.00 H new ATOM 440 N GLU A 29 -7.977 1.470 -11.883 1.00 0.00 N ATOM 441 CA GLU A 29 -8.647 2.216 -12.942 1.00 0.00 C ATOM 442 C GLU A 29 -7.631 2.904 -13.849 1.00 0.00 C ATOM 443 O GLU A 29 -6.432 2.899 -13.571 1.00 0.00 O ATOM 444 CB GLU A 29 -9.597 3.255 -12.343 1.00 0.00 C ATOM 445 CG GLU A 29 -9.038 3.954 -11.115 1.00 0.00 C ATOM 446 CD GLU A 29 -10.122 4.411 -10.159 1.00 0.00 C ATOM 447 OE1 GLU A 29 -11.237 4.718 -10.631 1.00 0.00 O ATOM 448 OE2 GLU A 29 -9.857 4.461 -8.940 1.00 0.00 O ATOM 0 H GLU A 29 -7.105 1.888 -11.558 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.223 1.510 -13.540 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.830 4.002 -13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.535 2.767 -12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.361 3.278 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.449 4.816 -11.429 1.00 0.00 H new ATOM 455 N GLU A 30 -8.120 3.494 -14.936 1.00 0.00 N ATOM 456 CA GLU A 30 -7.254 4.185 -15.884 1.00 0.00 C ATOM 457 C GLU A 30 -6.138 4.930 -15.159 1.00 0.00 C ATOM 458 O GLU A 30 -4.971 4.851 -15.543 1.00 0.00 O ATOM 459 CB GLU A 30 -8.069 5.164 -16.732 1.00 0.00 C ATOM 460 CG GLU A 30 -7.436 5.475 -18.079 1.00 0.00 C ATOM 461 CD GLU A 30 -8.436 6.020 -19.080 1.00 0.00 C ATOM 462 OE1 GLU A 30 -9.142 6.993 -18.745 1.00 0.00 O ATOM 463 OE2 GLU A 30 -8.510 5.473 -20.201 1.00 0.00 O ATOM 0 H GLU A 30 -9.110 3.507 -15.181 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.803 3.438 -16.537 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.064 4.750 -16.894 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.197 6.093 -16.177 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.634 6.200 -17.941 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.982 4.569 -18.481 1.00 0.00 H new ATOM 470 N VAL A 31 -6.505 5.656 -14.107 1.00 0.00 N ATOM 471 CA VAL A 31 -5.535 6.416 -13.327 1.00 0.00 C ATOM 472 C VAL A 31 -5.444 5.888 -11.899 1.00 0.00 C ATOM 473 O VAL A 31 -6.408 5.961 -11.138 1.00 0.00 O ATOM 474 CB VAL A 31 -5.896 7.912 -13.287 1.00 0.00 C ATOM 475 CG1 VAL A 31 -4.899 8.680 -12.432 1.00 0.00 C ATOM 476 CG2 VAL A 31 -5.954 8.484 -14.696 1.00 0.00 C ATOM 0 H VAL A 31 -7.467 5.734 -13.776 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.569 6.296 -13.818 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.882 8.018 -12.835 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.171 9.735 -12.416 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.912 8.286 -11.416 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.899 8.569 -12.851 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.210 9.542 -14.649 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.983 8.367 -15.176 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.711 7.953 -15.273 1.00 0.00 H new ATOM 486 N GLU A 32 -4.278 5.357 -11.544 1.00 0.00 N ATOM 487 CA GLU A 32 -4.062 4.817 -10.207 1.00 0.00 C ATOM 488 C GLU A 32 -3.927 5.939 -9.182 1.00 0.00 C ATOM 489 O GLU A 32 -4.197 5.747 -7.996 1.00 0.00 O ATOM 490 CB GLU A 32 -2.810 3.938 -10.185 1.00 0.00 C ATOM 491 CG GLU A 32 -1.552 4.658 -10.641 1.00 0.00 C ATOM 492 CD GLU A 32 -1.348 4.582 -12.142 1.00 0.00 C ATOM 493 OE1 GLU A 32 -2.266 4.103 -12.841 1.00 0.00 O ATOM 494 OE2 GLU A 32 -0.273 5.002 -12.617 1.00 0.00 O ATOM 0 H GLU A 32 -3.470 5.289 -12.163 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.928 4.210 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.657 3.563 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.974 3.071 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.606 5.704 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.687 4.225 -10.138 1.00 0.00 H new ATOM 501 N SER A 33 -3.507 7.111 -9.648 1.00 0.00 N ATOM 502 CA SER A 33 -3.331 8.263 -8.772 1.00 0.00 C ATOM 503 C SER A 33 -4.602 8.537 -7.972 1.00 0.00 C ATOM 504 O SER A 33 -4.573 8.599 -6.743 1.00 0.00 O ATOM 505 CB SER A 33 -2.954 9.500 -9.590 1.00 0.00 C ATOM 506 OG SER A 33 -1.578 9.487 -9.928 1.00 0.00 O ATOM 0 H SER A 33 -3.282 7.288 -10.627 1.00 0.00 H new ATOM 0 HA SER A 33 -2.524 8.037 -8.074 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.555 9.536 -10.499 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.183 10.401 -9.020 1.00 0.00 H new ATOM 0 HG SER A 33 -1.362 10.287 -10.452 1.00 0.00 H new ATOM 512 N ARG A 34 -5.715 8.699 -8.680 1.00 0.00 N ATOM 513 CA ARG A 34 -6.996 8.967 -8.038 1.00 0.00 C ATOM 514 C ARG A 34 -7.401 7.810 -7.128 1.00 0.00 C ATOM 515 O ARG A 34 -7.960 8.020 -6.052 1.00 0.00 O ATOM 516 CB ARG A 34 -8.079 9.203 -9.092 1.00 0.00 C ATOM 517 CG ARG A 34 -8.141 8.120 -10.156 1.00 0.00 C ATOM 518 CD ARG A 34 -9.351 8.295 -11.060 1.00 0.00 C ATOM 519 NE ARG A 34 -9.056 9.144 -12.211 1.00 0.00 N ATOM 520 CZ ARG A 34 -9.983 9.589 -13.053 1.00 0.00 C ATOM 521 NH1 ARG A 34 -11.256 9.268 -12.871 1.00 0.00 N ATOM 522 NH2 ARG A 34 -9.636 10.357 -14.077 1.00 0.00 N ATOM 0 H ARG A 34 -5.755 8.649 -9.698 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.888 9.865 -7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.048 9.269 -8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.901 10.164 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.231 8.145 -10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.181 7.141 -9.678 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.689 7.318 -11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.170 8.731 -10.489 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.086 9.410 -12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.526 8.678 -12.084 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.966 9.611 -13.518 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.657 10.606 -14.219 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.348 10.698 -14.723 1.00 0.00 H new ATOM 536 N ARG A 35 -7.114 6.589 -7.569 1.00 0.00 N ATOM 537 CA ARG A 35 -7.450 5.400 -6.795 1.00 0.00 C ATOM 538 C ARG A 35 -6.871 5.487 -5.386 1.00 0.00 C ATOM 539 O ARG A 35 -7.578 5.274 -4.401 1.00 0.00 O ATOM 540 CB ARG A 35 -6.926 4.145 -7.497 1.00 0.00 C ATOM 541 CG ARG A 35 -6.892 2.917 -6.602 1.00 0.00 C ATOM 542 CD ARG A 35 -6.101 1.785 -7.239 1.00 0.00 C ATOM 543 NE ARG A 35 -6.014 0.619 -6.365 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.725 -0.604 -6.798 1.00 0.00 C ATOM 545 NH1 ARG A 35 -5.497 -0.818 -8.086 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.665 -1.615 -5.941 1.00 0.00 N ATOM 0 H ARG A 35 -6.650 6.398 -8.457 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.536 5.340 -6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.553 3.935 -8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.921 4.340 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.447 3.178 -5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.910 2.583 -6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.571 1.499 -8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.097 2.134 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.184 0.750 -5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.543 -0.043 -8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.275 -1.758 -8.415 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.841 -1.454 -4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.443 -2.553 -6.274 1.00 0.00 H new ATOM 560 N TRP A 36 -5.583 5.799 -5.299 1.00 0.00 N ATOM 561 CA TRP A 36 -4.910 5.914 -4.010 1.00 0.00 C ATOM 562 C TRP A 36 -5.545 7.008 -3.159 1.00 0.00 C ATOM 563 O TRP A 36 -5.663 6.870 -1.942 1.00 0.00 O ATOM 564 CB TRP A 36 -3.423 6.206 -4.213 1.00 0.00 C ATOM 565 CG TRP A 36 -2.794 5.372 -5.288 1.00 0.00 C ATOM 566 CD1 TRP A 36 -2.038 5.818 -6.335 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.869 3.949 -5.422 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.639 4.757 -7.111 1.00 0.00 N ATOM 569 CE2 TRP A 36 -2.135 3.600 -6.573 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.483 2.935 -4.682 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -2.001 2.281 -6.998 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.350 1.627 -5.106 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.613 1.309 -6.254 1.00 0.00 C ATOM 0 H TRP A 36 -4.984 5.977 -6.105 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.018 4.965 -3.486 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.298 7.260 -4.461 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.895 6.035 -3.275 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.791 6.852 -6.525 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.066 4.821 -7.952 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.051 3.170 -3.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.434 2.034 -7.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.822 0.836 -4.543 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.526 0.276 -6.558 1.00 0.00 H new ATOM 584 N GLN A 37 -5.952 8.094 -3.808 1.00 0.00 N ATOM 585 CA GLN A 37 -6.575 9.212 -3.109 1.00 0.00 C ATOM 586 C GLN A 37 -7.825 8.759 -2.362 1.00 0.00 C ATOM 587 O GLN A 37 -8.058 9.156 -1.220 1.00 0.00 O ATOM 588 CB GLN A 37 -6.932 10.324 -4.097 1.00 0.00 C ATOM 589 CG GLN A 37 -7.645 11.503 -3.455 1.00 0.00 C ATOM 590 CD GLN A 37 -7.241 11.713 -2.009 1.00 0.00 C ATOM 591 OE1 GLN A 37 -8.082 11.709 -1.110 1.00 0.00 O ATOM 592 NE2 GLN A 37 -5.947 11.897 -1.777 1.00 0.00 N ATOM 0 H GLN A 37 -5.862 8.224 -4.816 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.859 9.597 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.020 10.679 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.565 9.911 -4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.428 12.407 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.722 11.344 -3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.284 11.893 -2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.615 12.043 -0.823 1.00 0.00 H new ATOM 601 N LYS A 38 -8.628 7.925 -3.015 1.00 0.00 N ATOM 602 CA LYS A 38 -9.855 7.416 -2.413 1.00 0.00 C ATOM 603 C LYS A 38 -9.548 6.583 -1.173 1.00 0.00 C ATOM 604 O LYS A 38 -10.202 6.727 -0.140 1.00 0.00 O ATOM 605 CB LYS A 38 -10.633 6.575 -3.427 1.00 0.00 C ATOM 606 CG LYS A 38 -11.046 7.346 -4.669 1.00 0.00 C ATOM 607 CD LYS A 38 -11.811 6.466 -5.643 1.00 0.00 C ATOM 608 CE LYS A 38 -11.624 6.930 -7.079 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.568 8.025 -7.436 1.00 0.00 N ATOM 0 H LYS A 38 -8.451 7.587 -3.961 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.465 8.268 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.021 5.723 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.525 6.174 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.665 8.196 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.160 7.749 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.472 5.434 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.871 6.479 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.599 7.274 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.772 6.088 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.408 8.313 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.546 7.689 -7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.409 8.839 -6.808 1.00 0.00 H new ATOM 623 N ILE A 39 -8.550 5.713 -1.283 1.00 0.00 N ATOM 624 CA ILE A 39 -8.155 4.859 -0.169 1.00 0.00 C ATOM 625 C ILE A 39 -7.605 5.685 0.988 1.00 0.00 C ATOM 626 O ILE A 39 -8.031 5.530 2.132 1.00 0.00 O ATOM 627 CB ILE A 39 -7.096 3.827 -0.599 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.717 2.784 -1.530 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.483 3.158 0.622 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.729 2.177 -2.502 1.00 0.00 C ATOM 0 H ILE A 39 -8.000 5.581 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.051 4.332 0.158 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.305 4.344 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.158 1.989 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.529 3.247 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.736 2.431 0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.009 3.912 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.263 2.651 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.239 1.446 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.306 2.962 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.930 1.684 -1.948 1.00 0.00 H new ATOM 642 N ALA A 40 -6.655 6.563 0.682 1.00 0.00 N ATOM 643 CA ALA A 40 -6.049 7.416 1.697 1.00 0.00 C ATOM 644 C ALA A 40 -7.113 8.148 2.507 1.00 0.00 C ATOM 645 O ALA A 40 -7.160 8.036 3.732 1.00 0.00 O ATOM 646 CB ALA A 40 -5.099 8.413 1.049 1.00 0.00 C ATOM 0 H ALA A 40 -6.289 6.702 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.484 6.781 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.653 9.044 1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.312 7.875 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.650 9.035 0.344 1.00 0.00 H new ATOM 652 N ASP A 41 -7.966 8.896 1.816 1.00 0.00 N ATOM 653 CA ASP A 41 -9.031 9.645 2.472 1.00 0.00 C ATOM 654 C ASP A 41 -9.777 8.768 3.472 1.00 0.00 C ATOM 655 O ASP A 41 -10.203 9.237 4.527 1.00 0.00 O ATOM 656 CB ASP A 41 -10.008 10.200 1.434 1.00 0.00 C ATOM 657 CG ASP A 41 -10.653 11.497 1.881 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.797 11.697 3.105 1.00 0.00 O ATOM 659 OD2 ASP A 41 -11.015 12.312 1.007 1.00 0.00 O ATOM 0 H ASP A 41 -7.941 9.000 0.802 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.577 10.475 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.480 10.365 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.784 9.460 1.238 1.00 0.00 H new ATOM 664 N GLU A 42 -9.932 7.492 3.132 1.00 0.00 N ATOM 665 CA GLU A 42 -10.628 6.550 4.000 1.00 0.00 C ATOM 666 C GLU A 42 -9.786 6.217 5.228 1.00 0.00 C ATOM 667 O GLU A 42 -10.274 6.256 6.359 1.00 0.00 O ATOM 668 CB GLU A 42 -10.963 5.268 3.235 1.00 0.00 C ATOM 669 CG GLU A 42 -12.276 5.338 2.473 1.00 0.00 C ATOM 670 CD GLU A 42 -13.463 5.601 3.380 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.365 5.301 4.588 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.489 6.108 2.880 1.00 0.00 O ATOM 0 H GLU A 42 -9.585 7.088 2.262 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.554 7.019 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.157 5.053 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.005 4.436 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.215 6.126 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.432 4.401 1.939 1.00 0.00 H new ATOM 679 N LEU A 43 -8.520 5.889 4.999 1.00 0.00 N ATOM 680 CA LEU A 43 -7.608 5.548 6.085 1.00 0.00 C ATOM 681 C LEU A 43 -7.666 6.595 7.193 1.00 0.00 C ATOM 682 O LEU A 43 -7.603 6.265 8.377 1.00 0.00 O ATOM 683 CB LEU A 43 -6.177 5.426 5.558 1.00 0.00 C ATOM 684 CG LEU A 43 -5.759 4.040 5.066 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.706 4.155 3.975 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.241 3.197 6.223 1.00 0.00 C ATOM 0 H LEU A 43 -8.101 5.852 4.070 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.919 4.589 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.051 6.134 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.492 5.730 6.350 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.635 3.546 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.421 3.158 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.112 4.720 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.829 4.669 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.948 2.214 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.378 3.688 6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.026 3.085 6.971 1.00 0.00 H new ATOM 698 N GLY A 44 -7.790 7.859 6.800 1.00 0.00 N ATOM 699 CA GLY A 44 -7.857 8.935 7.772 1.00 0.00 C ATOM 700 C GLY A 44 -6.757 9.960 7.579 1.00 0.00 C ATOM 701 O GLY A 44 -7.016 11.085 7.155 1.00 0.00 O ATOM 0 H GLY A 44 -7.845 8.157 5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.826 9.428 7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.788 8.518 8.777 1.00 0.00 H new ATOM 705 N ASN A 45 -5.526 9.570 7.893 1.00 0.00 N ATOM 706 CA ASN A 45 -4.382 10.465 7.754 1.00 0.00 C ATOM 707 C ASN A 45 -3.566 10.115 6.514 1.00 0.00 C ATOM 708 O ASN A 45 -3.104 11.000 5.792 1.00 0.00 O ATOM 709 CB ASN A 45 -3.496 10.392 8.999 1.00 0.00 C ATOM 710 CG ASN A 45 -4.048 11.211 10.150 1.00 0.00 C ATOM 711 OD1 ASN A 45 -5.200 11.044 10.549 1.00 0.00 O ATOM 712 ND2 ASN A 45 -3.224 12.102 10.690 1.00 0.00 N ATOM 0 H ASN A 45 -5.295 8.641 8.245 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.759 11.482 7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.397 9.352 9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.496 10.747 8.751 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.539 12.682 11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.277 12.206 10.327 1.00 0.00 H new ATOM 719 N ARG A 46 -3.392 8.820 6.272 1.00 0.00 N ATOM 720 CA ARG A 46 -2.631 8.353 5.120 1.00 0.00 C ATOM 721 C ARG A 46 -3.055 9.090 3.853 1.00 0.00 C ATOM 722 O ARG A 46 -4.234 9.391 3.661 1.00 0.00 O ATOM 723 CB ARG A 46 -2.820 6.846 4.933 1.00 0.00 C ATOM 724 CG ARG A 46 -1.814 6.006 5.703 1.00 0.00 C ATOM 725 CD ARG A 46 -0.420 6.121 5.107 1.00 0.00 C ATOM 726 NE ARG A 46 0.614 5.699 6.047 1.00 0.00 N ATOM 727 CZ ARG A 46 0.903 6.355 7.166 1.00 0.00 C ATOM 728 NH1 ARG A 46 0.239 7.458 7.481 1.00 0.00 N ATOM 729 NH2 ARG A 46 1.858 5.908 7.971 1.00 0.00 N ATOM 0 H ARG A 46 -3.768 8.075 6.859 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.577 8.560 5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.827 6.573 5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.743 6.608 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.793 6.326 6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.129 4.962 5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.360 5.512 4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.238 7.153 4.807 1.00 0.00 H new ATOM 0 HE ARG A 46 1.144 4.854 5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.495 7.805 6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.462 7.960 8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.371 5.060 7.731 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.079 6.412 8.830 1.00 0.00 H new ATOM 743 N THR A 47 -2.086 9.380 2.990 1.00 0.00 N ATOM 744 CA THR A 47 -2.358 10.083 1.743 1.00 0.00 C ATOM 745 C THR A 47 -2.126 9.177 0.539 1.00 0.00 C ATOM 746 O THR A 47 -1.483 8.134 0.650 1.00 0.00 O ATOM 747 CB THR A 47 -1.477 11.339 1.603 1.00 0.00 C ATOM 748 OG1 THR A 47 -1.585 11.867 0.276 1.00 0.00 O ATOM 749 CG2 THR A 47 -0.023 11.017 1.909 1.00 0.00 C ATOM 0 H THR A 47 -1.105 9.138 3.132 1.00 0.00 H new ATOM 0 HA THR A 47 -3.405 10.384 1.772 1.00 0.00 H new ATOM 0 HB THR A 47 -1.826 12.083 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.024 12.666 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.579 11.919 1.804 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.060 10.643 2.929 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.336 10.258 1.214 1.00 0.00 H new ATOM 757 N ALA A 48 -2.654 9.582 -0.611 1.00 0.00 N ATOM 758 CA ALA A 48 -2.501 8.808 -1.837 1.00 0.00 C ATOM 759 C ALA A 48 -1.079 8.275 -1.976 1.00 0.00 C ATOM 760 O ALA A 48 -0.868 7.152 -2.435 1.00 0.00 O ATOM 761 CB ALA A 48 -2.870 9.655 -3.046 1.00 0.00 C ATOM 0 H ALA A 48 -3.192 10.442 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.177 7.955 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.751 9.064 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.906 9.982 -2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.217 10.527 -3.092 1.00 0.00 H new ATOM 767 N LYS A 49 -0.106 9.087 -1.579 1.00 0.00 N ATOM 768 CA LYS A 49 1.297 8.698 -1.658 1.00 0.00 C ATOM 769 C LYS A 49 1.567 7.462 -0.807 1.00 0.00 C ATOM 770 O LYS A 49 1.798 6.374 -1.334 1.00 0.00 O ATOM 771 CB LYS A 49 2.194 9.851 -1.202 1.00 0.00 C ATOM 772 CG LYS A 49 2.602 10.786 -2.327 1.00 0.00 C ATOM 773 CD LYS A 49 1.423 11.602 -2.830 1.00 0.00 C ATOM 774 CE LYS A 49 1.599 11.996 -4.289 1.00 0.00 C ATOM 775 NZ LYS A 49 2.585 13.100 -4.450 1.00 0.00 N ATOM 0 H LYS A 49 -0.263 10.020 -1.199 1.00 0.00 H new ATOM 0 HA LYS A 49 1.524 8.459 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.673 10.424 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.091 9.441 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.387 11.457 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.021 10.206 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.505 11.025 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.314 12.499 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.928 11.129 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.638 12.304 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.677 13.339 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.259 13.936 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.509 12.797 -4.081 1.00 0.00 H new ATOM 789 N GLN A 50 1.536 7.637 0.510 1.00 0.00 N ATOM 790 CA GLN A 50 1.777 6.534 1.433 1.00 0.00 C ATOM 791 C GLN A 50 1.178 5.237 0.900 1.00 0.00 C ATOM 792 O GLN A 50 1.827 4.190 0.913 1.00 0.00 O ATOM 793 CB GLN A 50 1.188 6.854 2.808 1.00 0.00 C ATOM 794 CG GLN A 50 1.574 8.229 3.330 1.00 0.00 C ATOM 795 CD GLN A 50 2.942 8.672 2.852 1.00 0.00 C ATOM 796 OE1 GLN A 50 2.977 9.739 2.062 1.00 0.00 O flip ATOM 797 NE2 GLN A 50 3.958 8.062 3.188 1.00 0.00 N flip ATOM 0 H GLN A 50 1.346 8.532 0.962 1.00 0.00 H new ATOM 0 HA GLN A 50 2.855 6.403 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.101 6.787 2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.518 6.098 3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.828 8.957 3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.561 8.216 4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.886 7.247 3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.872 8.372 2.858 1.00 0.00 H new ATOM 806 N VAL A 51 -0.063 5.313 0.431 1.00 0.00 N ATOM 807 CA VAL A 51 -0.750 4.145 -0.108 1.00 0.00 C ATOM 808 C VAL A 51 -0.079 3.654 -1.386 1.00 0.00 C ATOM 809 O VAL A 51 0.087 2.452 -1.590 1.00 0.00 O ATOM 810 CB VAL A 51 -2.230 4.450 -0.403 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.918 3.233 -1.003 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.942 4.906 0.862 1.00 0.00 C ATOM 0 H VAL A 51 -0.614 6.171 0.413 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.692 3.366 0.652 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.278 5.259 -1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.963 3.468 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.422 2.957 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.862 2.401 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.987 5.117 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.886 4.120 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.464 5.808 1.244 1.00 0.00 H new ATOM 822 N ALA A 52 0.306 4.593 -2.244 1.00 0.00 N ATOM 823 CA ALA A 52 0.961 4.257 -3.502 1.00 0.00 C ATOM 824 C ALA A 52 2.238 3.459 -3.259 1.00 0.00 C ATOM 825 O ALA A 52 2.402 2.357 -3.782 1.00 0.00 O ATOM 826 CB ALA A 52 1.268 5.520 -4.292 1.00 0.00 C ATOM 0 H ALA A 52 0.175 5.593 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 52 0.280 3.636 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.757 5.253 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.340 6.050 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.927 6.163 -3.709 1.00 0.00 H new ATOM 832 N SER A 53 3.141 4.024 -2.463 1.00 0.00 N ATOM 833 CA SER A 53 4.406 3.367 -2.155 1.00 0.00 C ATOM 834 C SER A 53 4.168 2.003 -1.514 1.00 0.00 C ATOM 835 O SER A 53 4.785 1.010 -1.898 1.00 0.00 O ATOM 836 CB SER A 53 5.245 4.242 -1.221 1.00 0.00 C ATOM 837 OG SER A 53 5.641 5.441 -1.865 1.00 0.00 O ATOM 0 H SER A 53 3.020 4.935 -2.020 1.00 0.00 H new ATOM 0 HA SER A 53 4.948 3.221 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.670 4.479 -0.326 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.128 3.691 -0.897 1.00 0.00 H new ATOM 0 HG SER A 53 6.174 5.983 -1.247 1.00 0.00 H new ATOM 843 N GLN A 54 3.269 1.965 -0.535 1.00 0.00 N ATOM 844 CA GLN A 54 2.950 0.723 0.160 1.00 0.00 C ATOM 845 C GLN A 54 2.515 -0.356 -0.826 1.00 0.00 C ATOM 846 O GLN A 54 3.029 -1.474 -0.805 1.00 0.00 O ATOM 847 CB GLN A 54 1.847 0.962 1.192 1.00 0.00 C ATOM 848 CG GLN A 54 1.894 -0.003 2.366 1.00 0.00 C ATOM 849 CD GLN A 54 2.958 0.366 3.382 1.00 0.00 C ATOM 850 OE1 GLN A 54 3.786 1.244 3.139 1.00 0.00 O ATOM 851 NE2 GLN A 54 2.941 -0.305 4.528 1.00 0.00 N ATOM 0 H GLN A 54 2.749 2.779 -0.206 1.00 0.00 H new ATOM 0 HA GLN A 54 3.849 0.380 0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.927 1.982 1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.877 0.878 0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.920 -0.022 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.084 -1.011 1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.236 -1.025 4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.633 -0.100 5.249 1.00 0.00 H new ATOM 860 N VAL A 55 1.565 -0.014 -1.690 1.00 0.00 N ATOM 861 CA VAL A 55 1.061 -0.953 -2.685 1.00 0.00 C ATOM 862 C VAL A 55 2.205 -1.606 -3.453 1.00 0.00 C ATOM 863 O VAL A 55 2.096 -2.750 -3.892 1.00 0.00 O ATOM 864 CB VAL A 55 0.116 -0.260 -3.684 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.377 -1.250 -4.728 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.054 0.382 -2.952 1.00 0.00 C ATOM 0 H VAL A 55 1.128 0.907 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 55 0.506 -1.719 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 55 0.670 0.526 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.043 -0.742 -5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.474 -1.659 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.916 -2.060 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.712 0.867 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.610 -0.384 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.679 1.123 -2.246 1.00 0.00 H new ATOM 876 N GLN A 56 3.300 -0.870 -3.610 1.00 0.00 N ATOM 877 CA GLN A 56 4.465 -1.377 -4.326 1.00 0.00 C ATOM 878 C GLN A 56 5.072 -2.572 -3.600 1.00 0.00 C ATOM 879 O GLN A 56 5.251 -3.642 -4.183 1.00 0.00 O ATOM 880 CB GLN A 56 5.513 -0.275 -4.484 1.00 0.00 C ATOM 881 CG GLN A 56 4.970 0.995 -5.120 1.00 0.00 C ATOM 882 CD GLN A 56 6.067 1.941 -5.564 1.00 0.00 C ATOM 883 OE1 GLN A 56 6.138 3.085 -5.113 1.00 0.00 O ATOM 884 NE2 GLN A 56 6.933 1.469 -6.453 1.00 0.00 N ATOM 0 H GLN A 56 3.405 0.079 -3.251 1.00 0.00 H new ATOM 0 HA GLN A 56 4.139 -1.702 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.924 -0.033 -3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.336 -0.652 -5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.353 0.731 -5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.322 1.505 -4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.838 0.515 -6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.693 2.061 -6.788 1.00 0.00 H new ATOM 893 N LYS A 57 5.388 -2.384 -2.323 1.00 0.00 N ATOM 894 CA LYS A 57 5.974 -3.446 -1.514 1.00 0.00 C ATOM 895 C LYS A 57 4.939 -4.519 -1.191 1.00 0.00 C ATOM 896 O LYS A 57 5.238 -5.498 -0.506 1.00 0.00 O ATOM 897 CB LYS A 57 6.550 -2.871 -0.219 1.00 0.00 C ATOM 898 CG LYS A 57 5.578 -2.907 0.948 1.00 0.00 C ATOM 899 CD LYS A 57 6.159 -2.231 2.179 1.00 0.00 C ATOM 900 CE LYS A 57 5.798 -0.755 2.227 1.00 0.00 C ATOM 901 NZ LYS A 57 6.252 -0.113 3.492 1.00 0.00 N ATOM 0 H LYS A 57 5.248 -1.505 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 57 6.778 -3.904 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.447 -3.429 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.856 -1.840 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.649 -2.412 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.329 -3.942 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.789 -2.727 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.243 -2.342 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.250 -0.243 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.718 -0.642 2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.538 0.574 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.381 -0.841 4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.155 0.377 3.328 1.00 0.00 H new ATOM 915 N TYR A 58 3.722 -4.329 -1.688 1.00 0.00 N ATOM 916 CA TYR A 58 2.643 -5.280 -1.450 1.00 0.00 C ATOM 917 C TYR A 58 2.413 -6.160 -2.675 1.00 0.00 C ATOM 918 O TYR A 58 2.080 -7.339 -2.552 1.00 0.00 O ATOM 919 CB TYR A 58 1.353 -4.540 -1.091 1.00 0.00 C ATOM 920 CG TYR A 58 1.273 -4.131 0.362 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.425 -3.875 1.096 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.047 -4.002 1.002 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.358 -3.502 2.424 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.030 -3.628 2.330 1.00 0.00 C ATOM 925 CZ TYR A 58 1.128 -3.380 3.037 1.00 0.00 C ATOM 926 OH TYR A 58 1.055 -3.008 4.360 1.00 0.00 O ATOM 0 H TYR A 58 3.458 -3.525 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 58 2.933 -5.918 -0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.269 -3.650 -1.715 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.501 -5.177 -1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.390 -3.969 0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.862 -4.197 0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.263 -3.307 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.992 -3.530 2.812 1.00 0.00 H new ATOM 0 HH TYR A 58 0.116 -2.968 4.637 1.00 0.00 H new ATOM 936 N PHE A 59 2.595 -5.579 -3.856 1.00 0.00 N ATOM 937 CA PHE A 59 2.408 -6.309 -5.104 1.00 0.00 C ATOM 938 C PHE A 59 3.743 -6.531 -5.809 1.00 0.00 C ATOM 939 O PHE A 59 4.163 -7.669 -6.022 1.00 0.00 O ATOM 940 CB PHE A 59 1.452 -5.550 -6.026 1.00 0.00 C ATOM 941 CG PHE A 59 0.058 -5.434 -5.478 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.173 -4.815 -4.261 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.022 -5.944 -6.182 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.455 -4.707 -3.755 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.306 -5.839 -5.681 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.523 -5.219 -4.466 1.00 0.00 C ATOM 0 H PHE A 59 2.872 -4.605 -3.975 1.00 0.00 H new ATOM 0 HA PHE A 59 1.976 -7.281 -4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.848 -4.550 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.414 -6.054 -6.992 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.658 -4.412 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.858 -6.429 -7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.621 -4.223 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.139 -6.241 -6.239 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.525 -5.135 -4.073 1.00 0.00 H new ATOM 956 N ILE A 60 4.404 -5.437 -6.170 1.00 0.00 N ATOM 957 CA ILE A 60 5.691 -5.511 -6.850 1.00 0.00 C ATOM 958 C ILE A 60 6.661 -6.413 -6.095 1.00 0.00 C ATOM 959 O ILE A 60 7.319 -7.270 -6.687 1.00 0.00 O ATOM 960 CB ILE A 60 6.324 -4.116 -7.011 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.357 -3.173 -7.730 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.638 -4.216 -7.771 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.903 -1.774 -7.914 1.00 0.00 C ATOM 0 H ILE A 60 4.069 -4.488 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 60 5.502 -5.931 -7.838 1.00 0.00 H new ATOM 0 HB ILE A 60 6.529 -3.709 -6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.114 -3.591 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.426 -3.120 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.074 -3.222 -7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.328 -4.858 -7.223 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.456 -4.639 -8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.165 -1.160 -8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.120 -1.337 -6.939 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.818 -1.815 -8.505 1.00 0.00 H new