USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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 40 GLN : amide:sc= 0.922 K(o=2.8,f=-0.81) USER MOD Set 1.2: A 74 SER OG : rot -106:sc= 1.89 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0519 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0454 X(o=-0.045,f=-0.046) USER MOD Single : A 26 GLN : amide:sc= 0.555 K(o=0.55,f=-0.74) USER MOD Single : A 28 ASN : amide:sc= 0.65 K(o=0.65,f=-12!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.19) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.414 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0194) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 171:sc= 1.48 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LEU A 8 2.415 -3.311 -1.249 1.00 0.00 N ATOM 104 CA LEU A 8 3.656 -3.242 -2.012 1.00 0.00 C ATOM 105 C LEU A 8 4.480 -2.024 -1.615 1.00 0.00 C ATOM 106 O LEU A 8 4.131 -0.891 -1.946 1.00 0.00 O ATOM 107 CB LEU A 8 3.352 -3.193 -3.515 1.00 0.00 C ATOM 108 CG LEU A 8 2.527 -4.364 -4.065 1.00 0.00 C ATOM 109 CD1 LEU A 8 2.215 -4.119 -5.535 1.00 0.00 C ATOM 110 CD2 LEU A 8 3.300 -5.661 -3.879 1.00 0.00 C ATOM 0 HA LEU A 8 4.236 -4.137 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.821 -2.266 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.297 -3.152 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 8 1.585 -4.444 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.629 -4.951 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.646 -3.195 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.146 -4.036 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.714 -6.493 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.247 -5.600 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.494 -5.820 -2.818 1.00 0.00 H new ATOM 122 N LEU A 9 5.576 -2.265 -0.903 1.00 0.00 N ATOM 123 CA LEU A 9 6.410 -1.184 -0.392 1.00 0.00 C ATOM 124 C LEU A 9 7.658 -1.000 -1.246 1.00 0.00 C ATOM 125 O LEU A 9 8.311 -1.972 -1.626 1.00 0.00 O ATOM 126 CB LEU A 9 6.814 -1.467 1.060 1.00 0.00 C ATOM 127 CG LEU A 9 5.656 -1.677 2.044 1.00 0.00 C ATOM 128 CD1 LEU A 9 6.211 -2.065 3.407 1.00 0.00 C ATOM 129 CD2 LEU A 9 4.827 -0.405 2.132 1.00 0.00 C ATOM 0 H LEU A 9 5.907 -3.200 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 9 5.827 -0.264 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.445 -2.355 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.423 -0.637 1.417 1.00 0.00 H new ATOM 0 HG LEU A 9 5.011 -2.483 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.388 -2.214 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.783 -2.989 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.860 -1.271 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.004 -0.555 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.455 0.415 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.427 -0.163 1.147 1.00 0.00 H new ATOM 141 N TYR A 10 7.985 0.253 -1.545 1.00 0.00 N ATOM 142 CA TYR A 10 9.172 0.568 -2.331 1.00 0.00 C ATOM 143 C TYR A 10 10.047 1.593 -1.620 1.00 0.00 C ATOM 144 O TYR A 10 10.025 2.779 -1.953 1.00 0.00 O ATOM 145 CB TYR A 10 8.776 1.079 -3.718 1.00 0.00 C ATOM 146 CG TYR A 10 7.905 0.118 -4.496 1.00 0.00 C ATOM 147 CD1 TYR A 10 6.525 0.259 -4.473 1.00 0.00 C ATOM 148 CD2 TYR A 10 8.485 -0.904 -5.233 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.729 -0.619 -5.183 1.00 0.00 C ATOM 150 CE2 TYR A 10 7.689 -1.781 -5.943 1.00 0.00 C ATOM 151 CZ TYR A 10 6.317 -1.641 -5.920 1.00 0.00 C ATOM 152 OH TYR A 10 5.524 -2.515 -6.628 1.00 0.00 O ATOM 0 H TYR A 10 7.444 1.067 -1.254 1.00 0.00 H new ATOM 0 HA TYR A 10 9.750 -0.349 -2.446 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.248 2.026 -3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.680 1.282 -4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.073 1.055 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.559 -1.014 -5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.654 -0.512 -5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.141 -2.577 -6.517 1.00 0.00 H new ATOM 0 HH TYR A 10 6.089 -3.169 -7.090 1.00 0.00 H new ATOM 162 N ARG A 11 10.816 1.130 -0.641 1.00 0.00 N ATOM 163 CA ARG A 11 11.593 2.023 0.210 1.00 0.00 C ATOM 164 C ARG A 11 12.947 2.339 -0.412 1.00 0.00 C ATOM 165 O ARG A 11 13.845 1.497 -0.428 1.00 0.00 O ATOM 166 CB ARG A 11 11.802 1.405 1.585 1.00 0.00 C ATOM 167 CG ARG A 11 12.559 2.280 2.571 1.00 0.00 C ATOM 168 CD ARG A 11 12.703 1.619 3.894 1.00 0.00 C ATOM 169 NE ARG A 11 13.528 2.398 4.803 1.00 0.00 N ATOM 170 CZ ARG A 11 13.062 3.358 5.626 1.00 0.00 C ATOM 171 NH1 ARG A 11 11.779 3.645 5.642 1.00 0.00 N ATOM 172 NH2 ARG A 11 13.896 4.012 6.417 1.00 0.00 N ATOM 0 H ARG A 11 10.918 0.140 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 11 11.029 2.950 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.828 1.162 2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.341 0.465 1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.546 2.510 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.035 3.228 2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.717 1.471 4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.144 0.631 3.760 1.00 0.00 H new ATOM 0 HE ARG A 11 14.529 2.204 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.136 3.141 5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.427 4.372 6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.891 3.790 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.544 4.739 7.040 1.00 0.00 H new ATOM 186 N GLU A 12 13.087 3.557 -0.925 1.00 0.00 N ATOM 187 CA GLU A 12 14.342 3.997 -1.522 1.00 0.00 C ATOM 188 C GLU A 12 15.244 4.655 -0.485 1.00 0.00 C ATOM 189 O GLU A 12 14.842 5.603 0.189 1.00 0.00 O ATOM 190 CB GLU A 12 14.074 4.971 -2.671 1.00 0.00 C ATOM 191 CG GLU A 12 13.355 4.355 -3.863 1.00 0.00 C ATOM 192 CD GLU A 12 13.080 5.348 -4.957 1.00 0.00 C ATOM 193 OE1 GLU A 12 13.297 6.516 -4.742 1.00 0.00 O ATOM 194 OE2 GLU A 12 12.651 4.938 -6.010 1.00 0.00 O ATOM 0 H GLU A 12 12.346 4.257 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 12 14.852 3.116 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.480 5.803 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.024 5.385 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 12 13.958 3.539 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.413 3.921 -3.528 1.00 0.00 H new ATOM 201 N GLU A 13 16.466 4.146 -0.363 1.00 0.00 N ATOM 202 CA GLU A 13 17.434 4.696 0.578 1.00 0.00 C ATOM 203 C GLU A 13 18.698 5.155 -0.137 1.00 0.00 C ATOM 204 O GLU A 13 19.177 4.493 -1.057 1.00 0.00 O ATOM 205 CB GLU A 13 17.788 3.659 1.646 1.00 0.00 C ATOM 206 CG GLU A 13 16.626 3.259 2.545 1.00 0.00 C ATOM 207 CD GLU A 13 17.025 2.288 3.620 1.00 0.00 C ATOM 208 OE1 GLU A 13 18.138 1.818 3.587 1.00 0.00 O ATOM 209 OE2 GLU A 13 16.217 2.014 4.476 1.00 0.00 O ATOM 0 H GLU A 13 16.809 3.353 -0.905 1.00 0.00 H new ATOM 0 HA GLU A 13 16.978 5.562 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 13 18.175 2.766 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 13 18.592 4.055 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.207 4.153 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.838 2.815 1.936 1.00 0.00 H new ATOM 216 N THR A 14 19.234 6.293 0.292 1.00 0.00 N ATOM 217 CA THR A 14 20.447 6.840 -0.303 1.00 0.00 C ATOM 218 C THR A 14 21.673 6.502 0.535 1.00 0.00 C ATOM 219 O THR A 14 21.776 6.906 1.693 1.00 0.00 O ATOM 220 CB THR A 14 20.342 8.367 -0.473 1.00 0.00 C ATOM 221 OG1 THR A 14 19.236 8.680 -1.330 1.00 0.00 O ATOM 222 CG2 THR A 14 21.620 8.926 -1.078 1.00 0.00 C ATOM 0 H THR A 14 18.847 6.854 1.050 1.00 0.00 H new ATOM 0 HA THR A 14 20.558 6.383 -1.286 1.00 0.00 H new ATOM 0 HB THR A 14 20.190 8.817 0.508 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.169 9.652 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.527 10.006 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.462 8.700 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.789 8.473 -2.055 1.00 0.00 H new ATOM 230 N ILE A 15 22.602 5.758 -0.057 1.00 0.00 N ATOM 231 CA ILE A 15 23.847 5.408 0.617 1.00 0.00 C ATOM 232 C ILE A 15 24.974 6.351 0.215 1.00 0.00 C ATOM 233 O ILE A 15 25.279 6.501 -0.968 1.00 0.00 O ATOM 234 CB ILE A 15 24.253 3.957 0.300 1.00 0.00 C ATOM 235 CG1 ILE A 15 23.167 2.985 0.767 1.00 0.00 C ATOM 236 CG2 ILE A 15 25.587 3.624 0.952 1.00 0.00 C ATOM 237 CD1 ILE A 15 23.352 1.573 0.258 1.00 0.00 C ATOM 0 H ILE A 15 22.516 5.386 -1.003 1.00 0.00 H new ATOM 0 HA ILE A 15 23.675 5.504 1.689 1.00 0.00 H new ATOM 0 HB ILE A 15 24.364 3.855 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 15 23.151 2.969 1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 15 22.196 3.355 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 15 25.859 2.595 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 15 26.355 4.298 0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.503 3.740 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 15 22.544 0.943 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 15 23.338 1.574 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 15 24.308 1.182 0.608 1.00 0.00 H new ATOM 249 N GLU A 16 25.589 6.986 1.207 1.00 0.00 N ATOM 250 CA GLU A 16 26.680 7.921 0.958 1.00 0.00 C ATOM 251 C GLU A 16 27.925 7.539 1.749 1.00 0.00 C ATOM 252 O GLU A 16 27.928 7.581 2.979 1.00 0.00 O ATOM 253 CB GLU A 16 26.253 9.346 1.318 1.00 0.00 C ATOM 254 CG GLU A 16 25.092 9.882 0.492 1.00 0.00 C ATOM 255 CD GLU A 16 24.728 11.297 0.845 1.00 0.00 C ATOM 256 OE1 GLU A 16 25.402 11.878 1.661 1.00 0.00 O ATOM 257 OE2 GLU A 16 23.775 11.798 0.296 1.00 0.00 O ATOM 0 H GLU A 16 25.350 6.870 2.192 1.00 0.00 H new ATOM 0 HA GLU A 16 26.921 7.876 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 16 25.977 9.374 2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 16 27.108 10.011 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 16 25.351 9.832 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 16 24.222 9.241 0.638 1.00 0.00 H new ATOM 264 N THR A 17 28.981 7.165 1.035 1.00 0.00 N ATOM 265 CA THR A 17 30.239 6.787 1.668 1.00 0.00 C ATOM 266 C THR A 17 31.344 7.781 1.334 1.00 0.00 C ATOM 267 O THR A 17 31.667 7.995 0.165 1.00 0.00 O ATOM 268 CB THR A 17 30.671 5.372 1.243 1.00 0.00 C ATOM 269 OG1 THR A 17 29.676 4.423 1.651 1.00 0.00 O ATOM 270 CG2 THR A 17 32.004 5.007 1.879 1.00 0.00 C ATOM 0 H THR A 17 28.991 7.115 0.016 1.00 0.00 H new ATOM 0 HA THR A 17 30.073 6.796 2.745 1.00 0.00 H new ATOM 0 HB THR A 17 30.780 5.352 0.159 1.00 0.00 H new ATOM 0 HG1 THR A 17 29.951 3.523 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 17 32.293 4.003 1.567 1.00 0.00 H new ATOM 0 HG22 THR A 17 32.766 5.719 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 17 31.909 5.036 2.964 1.00 0.00 H new ATOM 278 N LYS A 18 31.921 8.386 2.367 1.00 0.00 N ATOM 279 CA LYS A 18 32.994 9.357 2.184 1.00 0.00 C ATOM 280 C LYS A 18 34.261 8.687 1.669 1.00 0.00 C ATOM 281 O LYS A 18 34.640 7.612 2.135 1.00 0.00 O ATOM 282 CB LYS A 18 33.282 10.089 3.496 1.00 0.00 C ATOM 283 CG LYS A 18 32.156 10.998 3.970 1.00 0.00 C ATOM 284 CD LYS A 18 32.520 11.696 5.272 1.00 0.00 C ATOM 285 CE LYS A 18 31.386 12.586 5.759 1.00 0.00 C ATOM 286 NZ LYS A 18 31.713 13.245 7.053 1.00 0.00 N ATOM 0 H LYS A 18 31.663 8.221 3.340 1.00 0.00 H new ATOM 0 HA LYS A 18 32.665 10.081 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 18 33.488 9.351 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 18 34.187 10.685 3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 18 31.940 11.743 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 18 31.248 10.412 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 18 32.753 10.951 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 18 33.419 12.295 5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 18 31.174 13.347 5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 18 30.481 11.990 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 30.915 13.842 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 31.891 12.520 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 32.562 13.834 6.938 1.00 0.00 H new ATOM 300 N ILE A 19 34.912 9.327 0.704 1.00 0.00 N ATOM 301 CA ILE A 19 36.091 8.755 0.064 1.00 0.00 C ATOM 302 C ILE A 19 37.363 9.452 0.529 1.00 0.00 C ATOM 303 O ILE A 19 37.484 10.673 0.431 1.00 0.00 O ATOM 304 CB ILE A 19 35.984 8.849 -1.469 1.00 0.00 C ATOM 305 CG1 ILE A 19 34.672 8.224 -1.952 1.00 0.00 C ATOM 306 CG2 ILE A 19 37.175 8.170 -2.128 1.00 0.00 C ATOM 307 CD1 ILE A 19 34.521 6.764 -1.587 1.00 0.00 C ATOM 0 H ILE A 19 34.643 10.244 0.347 1.00 0.00 H new ATOM 0 HA ILE A 19 36.140 7.705 0.354 1.00 0.00 H new ATOM 0 HB ILE A 19 35.989 9.901 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 19 33.837 8.783 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 19 34.609 8.327 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 19 37.083 8.246 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 19 38.095 8.658 -1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 19 37.201 7.119 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 19 33.568 6.392 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 19 35.335 6.192 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 19 34.551 6.655 -0.503 1.00 0.00 H new ATOM 319 N ASP A 20 38.309 8.668 1.035 1.00 0.00 N ATOM 320 CA ASP A 20 39.558 9.213 1.554 1.00 0.00 C ATOM 321 C ASP A 20 40.428 9.765 0.431 1.00 0.00 C ATOM 322 O ASP A 20 40.216 9.453 -0.741 1.00 0.00 O ATOM 323 CB ASP A 20 40.331 8.142 2.327 1.00 0.00 C ATOM 324 CG ASP A 20 39.668 7.768 3.646 1.00 0.00 C ATOM 325 OD1 ASP A 20 38.811 8.498 4.085 1.00 0.00 O ATOM 326 OD2 ASP A 20 40.024 6.756 4.201 1.00 0.00 O ATOM 0 H ASP A 20 38.234 7.653 1.097 1.00 0.00 H new ATOM 0 HA ASP A 20 39.306 10.031 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 20 40.424 7.250 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.341 8.501 2.523 1.00 0.00 H new ATOM 331 N PHE A 21 41.406 10.586 0.797 1.00 0.00 N ATOM 332 CA PHE A 21 42.295 11.201 -0.182 1.00 0.00 C ATOM 333 C PHE A 21 43.747 11.135 0.274 1.00 0.00 C ATOM 334 O PHE A 21 44.028 10.925 1.454 1.00 0.00 O ATOM 335 CB PHE A 21 41.897 12.659 -0.423 1.00 0.00 C ATOM 336 CG PHE A 21 42.066 13.540 0.782 1.00 0.00 C ATOM 337 CD1 PHE A 21 43.281 14.157 1.042 1.00 0.00 C ATOM 338 CD2 PHE A 21 41.012 13.754 1.657 1.00 0.00 C ATOM 339 CE1 PHE A 21 43.438 14.968 2.150 1.00 0.00 C ATOM 340 CE2 PHE A 21 41.166 14.565 2.764 1.00 0.00 C ATOM 341 CZ PHE A 21 42.381 15.173 3.011 1.00 0.00 C ATOM 0 H PHE A 21 41.603 10.841 1.765 1.00 0.00 H new ATOM 0 HA PHE A 21 42.199 10.643 -1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 21 42.496 13.059 -1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 21 40.856 12.694 -0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 21 44.113 14.002 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 21 40.059 13.281 1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 21 44.390 15.442 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 21 40.336 14.724 3.437 1.00 0.00 H new ATOM 0 HZ PHE A 21 42.503 15.807 3.876 1.00 0.00 H new ATOM 351 N GLN A 22 44.666 11.314 -0.668 1.00 0.00 N ATOM 352 CA GLN A 22 46.092 11.243 -0.370 1.00 0.00 C ATOM 353 C GLN A 22 46.675 12.629 -0.131 1.00 0.00 C ATOM 354 O GLN A 22 46.152 13.627 -0.626 1.00 0.00 O ATOM 355 CB GLN A 22 46.843 10.549 -1.510 1.00 0.00 C ATOM 356 CG GLN A 22 46.387 9.126 -1.781 1.00 0.00 C ATOM 357 CD GLN A 22 46.647 8.202 -0.606 1.00 0.00 C ATOM 358 OE1 GLN A 22 47.775 8.099 -0.116 1.00 0.00 O ATOM 359 NE2 GLN A 22 45.602 7.522 -0.147 1.00 0.00 N ATOM 0 H GLN A 22 44.449 11.510 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 22 46.212 10.660 0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 22 46.722 11.137 -2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 22 47.907 10.539 -1.276 1.00 0.00 H new ATOM 0 HG2 GLN A 22 45.321 9.126 -2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 22 46.903 8.743 -2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 22 44.687 7.638 -0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 22 45.715 6.884 0.641 1.00 0.00 H new ATOM 368 N GLU A 23 47.762 12.685 0.632 1.00 0.00 N ATOM 369 CA GLU A 23 48.417 13.950 0.940 1.00 0.00 C ATOM 370 C GLU A 23 49.881 13.930 0.519 1.00 0.00 C ATOM 371 O GLU A 23 50.598 12.964 0.780 1.00 0.00 O ATOM 372 CB GLU A 23 48.311 14.255 2.436 1.00 0.00 C ATOM 373 CG GLU A 23 48.937 15.578 2.855 1.00 0.00 C ATOM 374 CD GLU A 23 48.740 15.883 4.313 1.00 0.00 C ATOM 375 OE1 GLU A 23 48.180 15.064 5.002 1.00 0.00 O ATOM 376 OE2 GLU A 23 49.149 16.937 4.740 1.00 0.00 O ATOM 0 H GLU A 23 48.208 11.868 1.049 1.00 0.00 H new ATOM 0 HA GLU A 23 47.909 14.733 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 23 47.259 14.259 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 23 48.788 13.449 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 23 50.004 15.555 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 23 48.506 16.383 2.259 1.00 0.00 H new ATOM 383 N GLU A 24 50.319 15.001 -0.133 1.00 0.00 N ATOM 384 CA GLU A 24 51.688 15.093 -0.624 1.00 0.00 C ATOM 385 C GLU A 24 52.224 16.514 -0.500 1.00 0.00 C ATOM 386 O GLU A 24 51.562 17.473 -0.896 1.00 0.00 O ATOM 387 CB GLU A 24 51.765 14.634 -2.082 1.00 0.00 C ATOM 388 CG GLU A 24 53.163 14.678 -2.682 1.00 0.00 C ATOM 389 CD GLU A 24 53.205 14.187 -4.103 1.00 0.00 C ATOM 390 OE1 GLU A 24 52.205 13.700 -4.573 1.00 0.00 O ATOM 391 OE2 GLU A 24 54.239 14.299 -4.718 1.00 0.00 O ATOM 0 H GLU A 24 49.744 15.819 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 24 52.306 14.438 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 24 51.386 13.614 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 24 51.105 15.260 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 24 53.537 15.701 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 24 53.834 14.072 -2.073 1.00 0.00 H new ATOM 398 N ILE A 25 53.426 16.642 0.051 1.00 0.00 N ATOM 399 CA ILE A 25 54.104 17.931 0.119 1.00 0.00 C ATOM 400 C ILE A 25 55.313 17.966 -0.808 1.00 0.00 C ATOM 401 O ILE A 25 56.257 17.194 -0.642 1.00 0.00 O ATOM 402 CB ILE A 25 54.551 18.241 1.559 1.00 0.00 C ATOM 403 CG1 ILE A 25 53.346 18.247 2.502 1.00 0.00 C ATOM 404 CG2 ILE A 25 55.281 19.575 1.614 1.00 0.00 C ATOM 405 CD1 ILE A 25 53.716 18.334 3.965 1.00 0.00 C ATOM 0 H ILE A 25 53.951 15.868 0.457 1.00 0.00 H new ATOM 0 HA ILE A 25 53.392 18.690 -0.204 1.00 0.00 H new ATOM 0 HB ILE A 25 55.239 17.460 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 25 52.703 19.090 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 25 52.763 17.341 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 25 55.590 19.779 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 25 56.160 19.535 0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 25 54.616 20.368 1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 25 52.809 18.333 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 25 54.334 17.478 4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 25 54.272 19.254 4.146 1.00 0.00 H new ATOM 417 N GLN A 26 55.278 18.867 -1.784 1.00 0.00 N ATOM 418 CA GLN A 26 56.311 18.925 -2.811 1.00 0.00 C ATOM 419 C GLN A 26 57.221 20.130 -2.610 1.00 0.00 C ATOM 420 O GLN A 26 56.780 21.182 -2.146 1.00 0.00 O ATOM 421 CB GLN A 26 55.680 18.973 -4.205 1.00 0.00 C ATOM 422 CG GLN A 26 54.864 17.742 -4.561 1.00 0.00 C ATOM 423 CD GLN A 26 54.307 17.805 -5.971 1.00 0.00 C ATOM 424 OE1 GLN A 26 54.112 18.889 -6.529 1.00 0.00 O ATOM 425 NE2 GLN A 26 54.048 16.642 -6.556 1.00 0.00 N ATOM 0 H GLN A 26 54.544 19.568 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 26 56.915 18.022 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 26 55.039 19.852 -4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 26 56.470 19.098 -4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 26 55.488 16.854 -4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 26 54.042 17.637 -3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 26 54.225 15.770 -6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 26 53.672 16.620 -7.504 1.00 0.00 H new ATOM 434 N GLU A 27 58.492 19.971 -2.961 1.00 0.00 N ATOM 435 CA GLU A 27 59.468 21.045 -2.816 1.00 0.00 C ATOM 436 C GLU A 27 59.448 21.974 -4.022 1.00 0.00 C ATOM 437 O GLU A 27 59.912 21.613 -5.104 1.00 0.00 O ATOM 438 CB GLU A 27 60.872 20.467 -2.627 1.00 0.00 C ATOM 439 CG GLU A 27 61.948 21.508 -2.350 1.00 0.00 C ATOM 440 CD GLU A 27 63.312 20.904 -2.164 1.00 0.00 C ATOM 441 OE1 GLU A 27 63.497 19.773 -2.544 1.00 0.00 O ATOM 442 OE2 GLU A 27 64.170 21.575 -1.641 1.00 0.00 O ATOM 0 H GLU A 27 58.871 19.107 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 27 59.198 21.624 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 27 60.851 19.755 -1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 27 61.146 19.909 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 27 61.980 22.218 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 27 61.680 22.071 -1.456 1.00 0.00 H new ATOM 449 N ASN A 28 58.907 23.173 -3.831 1.00 0.00 N ATOM 450 CA ASN A 28 58.786 24.141 -4.914 1.00 0.00 C ATOM 451 C ASN A 28 59.952 25.121 -4.909 1.00 0.00 C ATOM 452 O ASN A 28 60.105 25.914 -3.980 1.00 0.00 O ATOM 453 CB ASN A 28 57.465 24.882 -4.823 1.00 0.00 C ATOM 454 CG ASN A 28 57.219 25.772 -6.009 1.00 0.00 C ATOM 455 OD1 ASN A 28 58.097 25.948 -6.862 1.00 0.00 O ATOM 456 ND2 ASN A 28 56.041 26.337 -6.081 1.00 0.00 N ATOM 0 H ASN A 28 58.545 23.497 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 28 58.812 23.594 -5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 28 56.653 24.160 -4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 28 57.451 25.483 -3.914 1.00 0.00 H new ATOM 0 HD21 ASN A 28 55.817 26.951 -6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 28 55.347 26.163 -5.354 1.00 0.00 H new ATOM 463 N PRO A 29 60.771 25.064 -5.954 1.00 0.00 N ATOM 464 CA PRO A 29 61.968 25.893 -6.035 1.00 0.00 C ATOM 465 C PRO A 29 61.613 27.342 -6.343 1.00 0.00 C ATOM 466 O PRO A 29 62.451 28.236 -6.222 1.00 0.00 O ATOM 467 CB PRO A 29 62.756 25.249 -7.180 1.00 0.00 C ATOM 468 CG PRO A 29 61.709 24.632 -8.043 1.00 0.00 C ATOM 469 CD PRO A 29 60.688 24.102 -7.072 1.00 0.00 C ATOM 0 HA PRO A 29 62.531 25.932 -5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 29 63.339 25.989 -7.728 1.00 0.00 H new ATOM 0 HB3 PRO A 29 63.458 24.502 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 29 61.270 25.364 -8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 29 62.122 23.834 -8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 29 59.690 24.075 -7.509 1.00 0.00 H new ATOM 0 HD3 PRO A 29 60.923 23.087 -6.751 1.00 0.00 H new ATOM 477 N ASP A 30 60.366 27.569 -6.742 1.00 0.00 N ATOM 478 CA ASP A 30 59.893 28.913 -7.051 1.00 0.00 C ATOM 479 C ASP A 30 59.551 29.682 -5.781 1.00 0.00 C ATOM 480 O ASP A 30 59.361 30.897 -5.812 1.00 0.00 O ATOM 481 CB ASP A 30 58.666 28.854 -7.964 1.00 0.00 C ATOM 482 CG ASP A 30 58.990 28.334 -9.359 1.00 0.00 C ATOM 483 OD1 ASP A 30 60.136 28.384 -9.738 1.00 0.00 O ATOM 484 OD2 ASP A 30 58.089 27.893 -10.030 1.00 0.00 O ATOM 0 H ASP A 30 59.664 26.838 -6.859 1.00 0.00 H new ATOM 0 HA ASP A 30 60.699 29.436 -7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 30 57.911 28.213 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 30 58.231 29.850 -8.045 1.00 0.00 H new ATOM 489 N LEU A 31 59.475 28.966 -4.664 1.00 0.00 N ATOM 490 CA LEU A 31 59.174 29.582 -3.378 1.00 0.00 C ATOM 491 C LEU A 31 60.393 29.574 -2.464 1.00 0.00 C ATOM 492 O LEU A 31 61.215 28.660 -2.519 1.00 0.00 O ATOM 493 CB LEU A 31 58.013 28.847 -2.697 1.00 0.00 C ATOM 494 CG LEU A 31 56.698 28.806 -3.486 1.00 0.00 C ATOM 495 CD1 LEU A 31 55.670 27.985 -2.719 1.00 0.00 C ATOM 496 CD2 LEU A 31 56.200 30.225 -3.719 1.00 0.00 C ATOM 0 H LEU A 31 59.618 27.957 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 31 58.889 30.618 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 31 58.325 27.823 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 31 57.823 29.320 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 31 56.861 28.335 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 31 54.736 27.956 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 31 56.043 26.970 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 31 55.494 28.441 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 31 55.266 30.195 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 31 56.032 30.714 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 31 56.945 30.784 -4.285 1.00 0.00 H new ATOM 508 N ALA A 32 60.504 30.599 -1.625 1.00 0.00 N ATOM 509 CA ALA A 32 61.620 30.708 -0.693 1.00 0.00 C ATOM 510 C ALA A 32 61.378 29.871 0.556 1.00 0.00 C ATOM 511 O ALA A 32 60.238 29.694 0.986 1.00 0.00 O ATOM 512 CB ALA A 32 61.854 32.164 -0.317 1.00 0.00 C ATOM 0 H ALA A 32 59.834 31.366 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 32 62.512 30.323 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 32 62.690 32.230 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 32 62.083 32.739 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 32 60.957 32.567 0.154 1.00 0.00 H new ATOM 518 N GLU A 33 62.458 29.356 1.135 1.00 0.00 N ATOM 519 CA GLU A 33 62.363 28.514 2.321 1.00 0.00 C ATOM 520 C GLU A 33 61.546 29.191 3.414 1.00 0.00 C ATOM 521 O GLU A 33 61.834 30.321 3.807 1.00 0.00 O ATOM 522 CB GLU A 33 63.759 28.177 2.849 1.00 0.00 C ATOM 523 CG GLU A 33 63.772 27.199 4.015 1.00 0.00 C ATOM 524 CD GLU A 33 65.159 26.893 4.507 1.00 0.00 C ATOM 525 OE1 GLU A 33 66.089 27.478 4.007 1.00 0.00 O ATOM 526 OE2 GLU A 33 65.289 26.073 5.386 1.00 0.00 O ATOM 0 H GLU A 33 63.410 29.508 0.801 1.00 0.00 H new ATOM 0 HA GLU A 33 61.856 27.592 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 33 64.351 27.760 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 33 64.249 29.100 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.184 27.611 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.287 26.272 3.710 1.00 0.00 H new ATOM 533 N GLY A 34 60.525 28.494 3.901 1.00 0.00 N ATOM 534 CA GLY A 34 59.637 29.044 4.918 1.00 0.00 C ATOM 535 C GLY A 34 58.276 29.394 4.329 1.00 0.00 C ATOM 536 O GLY A 34 57.297 29.553 5.058 1.00 0.00 O ATOM 0 H GLY A 34 60.292 27.546 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 34 59.512 28.322 5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.088 29.935 5.355 1.00 0.00 H new ATOM 540 N THR A 35 58.222 29.513 3.007 1.00 0.00 N ATOM 541 CA THR A 35 56.976 29.823 2.316 1.00 0.00 C ATOM 542 C THR A 35 56.167 28.562 2.046 1.00 0.00 C ATOM 543 O THR A 35 56.683 27.587 1.500 1.00 0.00 O ATOM 544 CB THR A 35 57.246 30.559 0.991 1.00 0.00 C ATOM 545 OG1 THR A 35 57.911 31.800 1.257 1.00 0.00 O ATOM 546 CG2 THR A 35 55.941 30.834 0.259 1.00 0.00 C ATOM 0 H THR A 35 59.028 29.399 2.392 1.00 0.00 H new ATOM 0 HA THR A 35 56.398 30.476 2.970 1.00 0.00 H new ATOM 0 HB THR A 35 57.877 29.928 0.365 1.00 0.00 H new ATOM 0 HG1 THR A 35 58.084 32.266 0.412 1.00 0.00 H new ATOM 0 HG21 THR A 35 56.151 31.355 -0.675 1.00 0.00 H new ATOM 0 HG22 THR A 35 55.439 29.891 0.044 1.00 0.00 H new ATOM 0 HG23 THR A 35 55.297 31.454 0.883 1.00 0.00 H new ATOM 554 N VAL A 36 54.896 28.586 2.432 1.00 0.00 N ATOM 555 CA VAL A 36 53.997 27.465 2.182 1.00 0.00 C ATOM 556 C VAL A 36 52.788 27.899 1.365 1.00 0.00 C ATOM 557 O VAL A 36 52.086 28.842 1.730 1.00 0.00 O ATOM 558 CB VAL A 36 53.521 26.855 3.514 1.00 0.00 C ATOM 559 CG1 VAL A 36 52.542 25.719 3.260 1.00 0.00 C ATOM 560 CG2 VAL A 36 54.717 26.367 4.317 1.00 0.00 C ATOM 0 H VAL A 36 54.464 29.371 2.920 1.00 0.00 H new ATOM 0 HA VAL A 36 54.551 26.717 1.614 1.00 0.00 H new ATOM 0 HB VAL A 36 53.005 27.623 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 36 52.216 25.300 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 36 51.677 26.099 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 36 53.030 24.943 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 36 54.373 25.937 5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 36 55.254 25.609 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 36 55.383 27.205 4.523 1.00 0.00 H new ATOM 570 N ARG A 37 52.550 27.207 0.256 1.00 0.00 N ATOM 571 CA ARG A 37 51.415 27.510 -0.608 1.00 0.00 C ATOM 572 C ARG A 37 50.684 26.240 -1.024 1.00 0.00 C ATOM 573 O ARG A 37 51.263 25.361 -1.664 1.00 0.00 O ATOM 574 CB ARG A 37 51.873 28.258 -1.851 1.00 0.00 C ATOM 575 CG ARG A 37 50.754 28.702 -2.779 1.00 0.00 C ATOM 576 CD ARG A 37 51.262 29.559 -3.881 1.00 0.00 C ATOM 577 NE ARG A 37 52.094 28.810 -4.810 1.00 0.00 N ATOM 578 CZ ARG A 37 52.719 29.344 -5.878 1.00 0.00 C ATOM 579 NH1 ARG A 37 52.597 30.627 -6.138 1.00 0.00 N ATOM 580 NH2 ARG A 37 53.455 28.577 -6.664 1.00 0.00 N ATOM 0 H ARG A 37 53.129 26.431 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 37 50.730 28.138 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 37 52.438 29.137 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 37 52.557 27.620 -2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 37 50.259 27.826 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 37 50.004 29.249 -2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 37 50.421 29.996 -4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 37 51.837 30.385 -3.463 1.00 0.00 H new ATOM 0 HE ARG A 37 52.213 27.811 -4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 37 52.029 31.219 -5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 37 53.070 31.031 -6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 37 53.550 27.582 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 37 53.928 28.981 -7.472 1.00 0.00 H new ATOM 594 N VAL A 38 49.411 26.148 -0.657 1.00 0.00 N ATOM 595 CA VAL A 38 48.603 24.978 -0.979 1.00 0.00 C ATOM 596 C VAL A 38 48.157 25.000 -2.435 1.00 0.00 C ATOM 597 O VAL A 38 47.509 25.947 -2.882 1.00 0.00 O ATOM 598 CB VAL A 38 47.363 24.917 -0.066 1.00 0.00 C ATOM 599 CG1 VAL A 38 46.475 23.744 -0.452 1.00 0.00 C ATOM 600 CG2 VAL A 38 47.796 24.811 1.388 1.00 0.00 C ATOM 0 H VAL A 38 48.916 26.871 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 38 49.220 24.094 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 38 46.785 25.833 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 38 45.604 23.716 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 38 46.148 23.860 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 38 47.035 22.815 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 38 46.915 24.768 2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 38 48.389 23.907 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 38 48.395 25.682 1.654 1.00 0.00 H new ATOM 610 N LYS A 39 48.507 23.951 -3.172 1.00 0.00 N ATOM 611 CA LYS A 39 48.140 23.846 -4.579 1.00 0.00 C ATOM 612 C LYS A 39 46.761 23.219 -4.742 1.00 0.00 C ATOM 613 O LYS A 39 45.969 23.647 -5.582 1.00 0.00 O ATOM 614 CB LYS A 39 49.182 23.031 -5.345 1.00 0.00 C ATOM 615 CG LYS A 39 48.901 22.892 -6.836 1.00 0.00 C ATOM 616 CD LYS A 39 50.049 22.198 -7.552 1.00 0.00 C ATOM 617 CE LYS A 39 49.779 22.077 -9.045 1.00 0.00 C ATOM 618 NZ LYS A 39 50.902 21.415 -9.762 1.00 0.00 N ATOM 0 H LYS A 39 49.045 23.160 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 39 48.107 24.854 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 39 50.158 23.497 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 39 49.242 22.036 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.982 22.325 -6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.741 23.878 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.971 22.757 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 39 50.199 21.206 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 39 48.863 21.508 -9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 39 49.615 23.069 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 50.678 21.353 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 51.772 21.971 -9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 51.043 20.458 -9.379 1.00 0.00 H new ATOM 632 N GLN A 40 46.480 22.202 -3.935 1.00 0.00 N ATOM 633 CA GLN A 40 45.184 21.533 -3.968 1.00 0.00 C ATOM 634 C GLN A 40 44.704 21.194 -2.563 1.00 0.00 C ATOM 635 O GLN A 40 45.429 20.582 -1.779 1.00 0.00 O ATOM 636 CB GLN A 40 45.260 20.261 -4.816 1.00 0.00 C ATOM 637 CG GLN A 40 43.927 19.555 -4.999 1.00 0.00 C ATOM 638 CD GLN A 40 44.011 18.407 -5.986 1.00 0.00 C ATOM 639 OE1 GLN A 40 44.983 18.284 -6.737 1.00 0.00 O ATOM 640 NE2 GLN A 40 42.991 17.556 -5.992 1.00 0.00 N ATOM 0 H GLN A 40 47.133 21.822 -3.249 1.00 0.00 H new ATOM 0 HA GLN A 40 44.466 22.219 -4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 40 45.662 20.515 -5.797 1.00 0.00 H new ATOM 0 HB3 GLN A 40 45.964 19.570 -4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 40 43.584 19.178 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 40 43.183 20.273 -5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.207 17.695 -5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.992 16.764 -6.634 1.00 0.00 H new ATOM 649 N GLU A 41 43.476 21.595 -2.250 1.00 0.00 N ATOM 650 CA GLU A 41 42.926 21.406 -0.913 1.00 0.00 C ATOM 651 C GLU A 41 42.519 19.956 -0.684 1.00 0.00 C ATOM 652 O GLU A 41 41.962 19.310 -1.572 1.00 0.00 O ATOM 653 CB GLU A 41 41.721 22.325 -0.697 1.00 0.00 C ATOM 654 CG GLU A 41 42.059 23.808 -0.664 1.00 0.00 C ATOM 655 CD GLU A 41 40.852 24.679 -0.451 1.00 0.00 C ATOM 656 OE1 GLU A 41 39.803 24.339 -0.944 1.00 0.00 O ATOM 657 OE2 GLU A 41 40.979 25.685 0.206 1.00 0.00 O ATOM 0 H GLU A 41 42.843 22.053 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 41 43.704 21.661 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 41 40.997 22.148 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 41 41.237 22.054 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 41 42.780 23.994 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 41 42.541 24.087 -1.601 1.00 0.00 H new ATOM 664 N GLY A 42 42.800 19.450 0.512 1.00 0.00 N ATOM 665 CA GLY A 42 42.501 18.063 0.846 1.00 0.00 C ATOM 666 C GLY A 42 41.034 17.890 1.220 1.00 0.00 C ATOM 667 O GLY A 42 40.638 18.155 2.355 1.00 0.00 O ATOM 0 H GLY A 42 43.235 19.981 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 42 42.741 17.422 -0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 42 43.131 17.742 1.676 1.00 0.00 H new ATOM 671 N LYS A 43 40.232 17.445 0.259 1.00 0.00 N ATOM 672 CA LYS A 43 38.801 17.269 0.476 1.00 0.00 C ATOM 673 C LYS A 43 38.386 15.818 0.266 1.00 0.00 C ATOM 674 O LYS A 43 38.939 15.121 -0.584 1.00 0.00 O ATOM 675 CB LYS A 43 38.002 18.184 -0.454 1.00 0.00 C ATOM 676 CG LYS A 43 38.244 19.671 -0.233 1.00 0.00 C ATOM 677 CD LYS A 43 37.393 20.514 -1.171 1.00 0.00 C ATOM 678 CE LYS A 43 37.670 21.999 -0.986 1.00 0.00 C ATOM 679 NZ LYS A 43 36.863 22.836 -1.915 1.00 0.00 N ATOM 0 H LYS A 43 40.549 17.199 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 43 38.585 17.539 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 43 38.249 17.938 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 43 36.940 17.978 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 43 38.015 19.929 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 43 39.298 19.898 -0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 43 37.596 20.230 -2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.338 20.313 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 43 37.450 22.284 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 43 38.730 22.193 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 37.082 23.840 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.091 22.583 -2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 35.851 22.670 -1.741 1.00 0.00 H new ATOM 693 N LEU A 44 37.409 15.369 1.047 1.00 0.00 N ATOM 694 CA LEU A 44 36.881 14.017 0.911 1.00 0.00 C ATOM 695 C LEU A 44 35.923 13.916 -0.270 1.00 0.00 C ATOM 696 O LEU A 44 35.247 14.885 -0.618 1.00 0.00 O ATOM 697 CB LEU A 44 36.161 13.597 2.198 1.00 0.00 C ATOM 698 CG LEU A 44 37.048 13.457 3.442 1.00 0.00 C ATOM 699 CD1 LEU A 44 36.172 13.297 4.677 1.00 0.00 C ATOM 700 CD2 LEU A 44 37.977 12.264 3.271 1.00 0.00 C ATOM 0 H LEU A 44 36.967 15.922 1.781 1.00 0.00 H new ATOM 0 HA LEU A 44 37.721 13.347 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 44 35.381 14.328 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 44 35.664 12.643 2.020 1.00 0.00 H new ATOM 0 HG LEU A 44 37.657 14.352 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 44 36.803 13.198 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 44 35.532 14.173 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 44 35.553 12.406 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 44 38.607 12.164 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 44 37.385 11.358 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 44 38.605 12.415 2.393 1.00 0.00 H new ATOM 712 N GLY A 45 35.869 12.739 -0.883 1.00 0.00 N ATOM 713 CA GLY A 45 34.882 12.459 -1.919 1.00 0.00 C ATOM 714 C GLY A 45 33.627 11.829 -1.330 1.00 0.00 C ATOM 715 O GLY A 45 33.407 11.876 -0.119 1.00 0.00 O ATOM 0 H GLY A 45 36.498 11.962 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.620 13.383 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 45 35.313 11.790 -2.664 1.00 0.00 H new ATOM 719 N LYS A 46 32.807 11.238 -2.192 1.00 0.00 N ATOM 720 CA LYS A 46 31.577 10.587 -1.757 1.00 0.00 C ATOM 721 C LYS A 46 31.036 9.655 -2.833 1.00 0.00 C ATOM 722 O LYS A 46 30.834 10.064 -3.977 1.00 0.00 O ATOM 723 CB LYS A 46 30.522 11.629 -1.384 1.00 0.00 C ATOM 724 CG LYS A 46 29.204 11.042 -0.894 1.00 0.00 C ATOM 725 CD LYS A 46 28.211 12.138 -0.537 1.00 0.00 C ATOM 726 CE LYS A 46 28.579 12.815 0.775 1.00 0.00 C ATOM 727 NZ LYS A 46 27.498 13.715 1.259 1.00 0.00 N ATOM 0 H LYS A 46 32.972 11.196 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 46 31.811 9.990 -0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 46 30.928 12.278 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 46 30.325 12.257 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 46 28.779 10.401 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 46 29.385 10.414 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 46 28.183 12.880 -1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 46 27.210 11.713 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 46 28.784 12.056 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 46 29.496 13.389 0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 27.802 14.182 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 27.296 14.435 0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 26.639 13.158 1.443 1.00 0.00 H new ATOM 741 N LYS A 47 30.804 8.401 -2.461 1.00 0.00 N ATOM 742 CA LYS A 47 30.148 7.448 -3.349 1.00 0.00 C ATOM 743 C LYS A 47 28.665 7.323 -3.024 1.00 0.00 C ATOM 744 O LYS A 47 28.293 6.885 -1.936 1.00 0.00 O ATOM 745 CB LYS A 47 30.824 6.078 -3.257 1.00 0.00 C ATOM 746 CG LYS A 47 30.244 5.027 -4.194 1.00 0.00 C ATOM 747 CD LYS A 47 30.975 3.700 -4.054 1.00 0.00 C ATOM 748 CE LYS A 47 30.380 2.641 -4.971 1.00 0.00 C ATOM 749 NZ LYS A 47 31.072 1.331 -4.830 1.00 0.00 N ATOM 0 H LYS A 47 31.061 8.020 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 47 30.243 7.822 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 47 31.886 6.195 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.746 5.716 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 47 29.185 4.887 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 47 30.314 5.376 -5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 47 32.030 3.837 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 47 30.921 3.360 -3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.321 2.518 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 47 30.447 2.977 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 30.637 0.638 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.078 1.442 -5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 30.986 0.997 -3.849 1.00 0.00 H new ATOM 763 N VAL A 48 27.822 7.710 -3.975 1.00 0.00 N ATOM 764 CA VAL A 48 26.378 7.687 -3.775 1.00 0.00 C ATOM 765 C VAL A 48 25.751 6.460 -4.424 1.00 0.00 C ATOM 766 O VAL A 48 25.992 6.176 -5.597 1.00 0.00 O ATOM 767 CB VAL A 48 25.737 8.959 -4.361 1.00 0.00 C ATOM 768 CG1 VAL A 48 24.224 8.909 -4.213 1.00 0.00 C ATOM 769 CG2 VAL A 48 26.306 10.190 -3.674 1.00 0.00 C ATOM 0 H VAL A 48 28.115 8.044 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 48 26.193 7.646 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 48 25.971 9.015 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 48 23.787 9.815 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 48 23.835 8.040 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 48 23.964 8.836 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 48 25.848 11.085 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 48 26.095 10.141 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 48 27.384 10.227 -3.829 1.00 0.00 H new ATOM 779 N GLU A 49 24.946 5.736 -3.654 1.00 0.00 N ATOM 780 CA GLU A 49 24.227 4.578 -4.172 1.00 0.00 C ATOM 781 C GLU A 49 22.801 4.531 -3.639 1.00 0.00 C ATOM 782 O GLU A 49 22.576 4.229 -2.467 1.00 0.00 O ATOM 783 CB GLU A 49 24.962 3.286 -3.807 1.00 0.00 C ATOM 784 CG GLU A 49 24.306 2.019 -4.336 1.00 0.00 C ATOM 785 CD GLU A 49 25.115 0.783 -4.060 1.00 0.00 C ATOM 786 OE1 GLU A 49 26.216 0.911 -3.581 1.00 0.00 O ATOM 787 OE2 GLU A 49 24.632 -0.292 -4.330 1.00 0.00 O ATOM 0 H GLU A 49 24.775 5.931 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 49 24.184 4.671 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 49 25.981 3.341 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 49 25.034 3.217 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.320 1.910 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 49 24.155 2.116 -5.411 1.00 0.00 H new ATOM 794 N ILE A 50 21.841 4.832 -4.506 1.00 0.00 N ATOM 795 CA ILE A 50 20.433 4.816 -4.126 1.00 0.00 C ATOM 796 C ILE A 50 19.780 3.488 -4.486 1.00 0.00 C ATOM 797 O ILE A 50 19.767 3.088 -5.650 1.00 0.00 O ATOM 798 CB ILE A 50 19.667 5.966 -4.805 1.00 0.00 C ATOM 799 CG1 ILE A 50 20.281 7.316 -4.422 1.00 0.00 C ATOM 800 CG2 ILE A 50 18.195 5.921 -4.428 1.00 0.00 C ATOM 801 CD1 ILE A 50 19.762 8.476 -5.240 1.00 0.00 C ATOM 0 H ILE A 50 22.012 5.090 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 50 20.388 4.947 -3.045 1.00 0.00 H new ATOM 0 HB ILE A 50 19.747 5.845 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 50 20.082 7.509 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 50 21.363 7.258 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.669 6.741 -4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 50 17.766 4.972 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.093 6.018 -3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 50 20.243 9.397 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 50 19.985 8.307 -6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.684 8.562 -5.106 1.00 0.00 H new ATOM 813 N VAL A 51 19.240 2.808 -3.481 1.00 0.00 N ATOM 814 CA VAL A 51 18.693 1.469 -3.668 1.00 0.00 C ATOM 815 C VAL A 51 17.229 1.410 -3.254 1.00 0.00 C ATOM 816 O VAL A 51 16.856 1.887 -2.182 1.00 0.00 O ATOM 817 CB VAL A 51 19.498 0.444 -2.847 1.00 0.00 C ATOM 818 CG1 VAL A 51 18.904 -0.948 -3.003 1.00 0.00 C ATOM 819 CG2 VAL A 51 20.955 0.460 -3.283 1.00 0.00 C ATOM 0 H VAL A 51 19.169 3.162 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 51 18.766 1.226 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 51 19.447 0.717 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 51 19.485 -1.659 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 51 17.872 -0.945 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.928 -1.238 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 51 21.518 -0.267 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.021 0.204 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 51 21.372 1.454 -3.123 1.00 0.00 H new ATOM 829 N ARG A 52 16.401 0.820 -4.110 1.00 0.00 N ATOM 830 CA ARG A 52 14.988 0.631 -3.802 1.00 0.00 C ATOM 831 C ARG A 52 14.740 -0.733 -3.170 1.00 0.00 C ATOM 832 O ARG A 52 15.105 -1.765 -3.733 1.00 0.00 O ATOM 833 CB ARG A 52 14.144 0.764 -5.061 1.00 0.00 C ATOM 834 CG ARG A 52 12.647 0.606 -4.847 1.00 0.00 C ATOM 835 CD ARG A 52 11.892 0.742 -6.119 1.00 0.00 C ATOM 836 NE ARG A 52 11.945 2.099 -6.638 1.00 0.00 N ATOM 837 CZ ARG A 52 11.548 2.462 -7.874 1.00 0.00 C ATOM 838 NH1 ARG A 52 11.072 1.559 -8.702 1.00 0.00 N ATOM 839 NH2 ARG A 52 11.637 3.725 -8.252 1.00 0.00 N ATOM 0 H ARG A 52 16.684 0.464 -5.023 1.00 0.00 H new ATOM 0 HA ARG A 52 14.701 1.405 -3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.332 1.741 -5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.474 0.017 -5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.444 -0.370 -4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.300 1.356 -4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.301 0.054 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.853 0.456 -5.957 1.00 0.00 H new ATOM 0 HE ARG A 52 12.308 2.828 -6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.003 0.584 -8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.771 1.833 -9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.006 4.425 -7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.337 4.000 -9.187 1.00 0.00 H new ATOM 853 N ILE A 53 14.116 -0.731 -1.997 1.00 0.00 N ATOM 854 CA ILE A 53 13.827 -1.967 -1.281 1.00 0.00 C ATOM 855 C ILE A 53 12.380 -2.397 -1.485 1.00 0.00 C ATOM 856 O ILE A 53 11.452 -1.706 -1.064 1.00 0.00 O ATOM 857 CB ILE A 53 14.109 -1.809 0.225 1.00 0.00 C ATOM 858 CG1 ILE A 53 15.571 -1.418 0.456 1.00 0.00 C ATOM 859 CG2 ILE A 53 13.774 -3.094 0.966 1.00 0.00 C ATOM 860 CD1 ILE A 53 15.874 -1.004 1.878 1.00 0.00 C ATOM 0 H ILE A 53 13.800 0.115 -1.522 1.00 0.00 H new ATOM 0 HA ILE A 53 14.482 -2.737 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 53 13.475 -1.013 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.209 -2.260 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.828 -0.598 -0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.979 -2.965 2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.719 -3.330 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.383 -3.909 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.928 -0.742 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.263 -0.142 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 53 15.650 -1.830 2.553 1.00 0.00 H new ATOM 872 N PHE A 54 12.194 -3.541 -2.134 1.00 0.00 N ATOM 873 CA PHE A 54 10.858 -4.042 -2.436 1.00 0.00 C ATOM 874 C PHE A 54 10.385 -5.025 -1.373 1.00 0.00 C ATOM 875 O PHE A 54 11.013 -6.059 -1.146 1.00 0.00 O ATOM 876 CB PHE A 54 10.839 -4.718 -3.808 1.00 0.00 C ATOM 877 CG PHE A 54 9.495 -5.264 -4.196 1.00 0.00 C ATOM 878 CD1 PHE A 54 8.352 -4.487 -4.072 1.00 0.00 C ATOM 879 CD2 PHE A 54 9.369 -6.556 -4.684 1.00 0.00 C ATOM 880 CE1 PHE A 54 7.115 -4.989 -4.429 1.00 0.00 C ATOM 881 CE2 PHE A 54 8.133 -7.060 -5.042 1.00 0.00 C ATOM 882 CZ PHE A 54 7.005 -6.274 -4.914 1.00 0.00 C ATOM 0 H PHE A 54 12.952 -4.140 -2.461 1.00 0.00 H new ATOM 0 HA PHE A 54 10.178 -3.190 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.160 -3.999 -4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.566 -5.530 -3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.430 -3.479 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.248 -7.176 -4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.233 -4.373 -4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.049 -8.068 -5.422 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.038 -6.666 -5.194 1.00 0.00 H new ATOM 892 N SER A 55 9.273 -4.696 -0.724 1.00 0.00 N ATOM 893 CA SER A 55 8.689 -5.570 0.286 1.00 0.00 C ATOM 894 C SER A 55 7.227 -5.866 -0.021 1.00 0.00 C ATOM 895 O SER A 55 6.502 -5.009 -0.528 1.00 0.00 O ATOM 896 CB SER A 55 8.807 -4.935 1.658 1.00 0.00 C ATOM 897 OG SER A 55 10.151 -4.748 2.010 1.00 0.00 O ATOM 0 H SER A 55 8.758 -3.829 -0.880 1.00 0.00 H new ATOM 0 HA SER A 55 9.239 -6.511 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.289 -3.976 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.318 -5.567 2.399 1.00 0.00 H new ATOM 0 HG SER A 55 10.202 -4.336 2.898 1.00 0.00 H new ATOM 903 N VAL A 56 6.798 -7.085 0.288 1.00 0.00 N ATOM 904 CA VAL A 56 5.412 -7.486 0.077 1.00 0.00 C ATOM 905 C VAL A 56 4.781 -7.989 1.370 1.00 0.00 C ATOM 906 O VAL A 56 5.338 -8.852 2.048 1.00 0.00 O ATOM 907 CB VAL A 56 5.332 -8.591 -0.993 1.00 0.00 C ATOM 908 CG1 VAL A 56 3.895 -9.062 -1.166 1.00 0.00 C ATOM 909 CG2 VAL A 56 5.893 -8.077 -2.310 1.00 0.00 C ATOM 0 H VAL A 56 7.391 -7.813 0.686 1.00 0.00 H new ATOM 0 HA VAL A 56 4.861 -6.608 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 56 5.930 -9.443 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.857 -9.843 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.525 -9.458 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.272 -8.223 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.833 -8.863 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.314 -7.214 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.934 -7.784 -2.173 1.00 0.00 H new ATOM 919 N ASN A 57 3.617 -7.444 1.705 1.00 0.00 N ATOM 920 CA ASN A 57 2.978 -7.729 2.984 1.00 0.00 C ATOM 921 C ASN A 57 3.881 -7.348 4.149 1.00 0.00 C ATOM 922 O ASN A 57 3.953 -8.060 5.151 1.00 0.00 O ATOM 923 CB ASN A 57 2.585 -9.193 3.069 1.00 0.00 C ATOM 924 CG ASN A 57 1.554 -9.576 2.044 1.00 0.00 C ATOM 925 OD1 ASN A 57 0.635 -8.802 1.751 1.00 0.00 O ATOM 926 ND2 ASN A 57 1.687 -10.755 1.494 1.00 0.00 N ATOM 0 H ASN A 57 3.096 -6.802 1.108 1.00 0.00 H new ATOM 0 HA ASN A 57 2.075 -7.123 3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.472 -9.812 2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.197 -9.404 4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.017 -11.069 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.461 -11.361 1.767 1.00 0.00 H new ATOM 933 N LYS A 58 4.570 -6.220 4.013 1.00 0.00 N ATOM 934 CA LYS A 58 5.528 -5.780 5.020 1.00 0.00 C ATOM 935 C LYS A 58 6.596 -6.839 5.263 1.00 0.00 C ATOM 936 O LYS A 58 6.937 -7.139 6.407 1.00 0.00 O ATOM 937 CB LYS A 58 4.813 -5.444 6.329 1.00 0.00 C ATOM 938 CG LYS A 58 3.792 -4.320 6.218 1.00 0.00 C ATOM 939 CD LYS A 58 3.168 -4.004 7.569 1.00 0.00 C ATOM 940 CE LYS A 58 2.240 -2.802 7.484 1.00 0.00 C ATOM 941 NZ LYS A 58 1.027 -3.091 6.671 1.00 0.00 N ATOM 0 H LYS A 58 4.482 -5.593 3.213 1.00 0.00 H new ATOM 0 HA LYS A 58 6.018 -4.882 4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.311 -6.340 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.558 -5.169 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.273 -3.427 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.011 -4.603 5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.612 -4.871 7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.954 -3.808 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.941 -2.503 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.777 -1.960 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.390 -2.270 6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.306 -3.285 5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.537 -3.921 7.062 1.00 0.00 H new ATOM 955 N GLU A 59 7.121 -7.403 4.180 1.00 0.00 N ATOM 956 CA GLU A 59 8.205 -8.373 4.270 1.00 0.00 C ATOM 957 C GLU A 59 9.180 -8.218 3.110 1.00 0.00 C ATOM 958 O GLU A 59 8.785 -8.256 1.945 1.00 0.00 O ATOM 959 CB GLU A 59 7.646 -9.797 4.293 1.00 0.00 C ATOM 960 CG GLU A 59 8.701 -10.885 4.439 1.00 0.00 C ATOM 961 CD GLU A 59 8.111 -12.264 4.528 1.00 0.00 C ATOM 962 OE1 GLU A 59 6.910 -12.380 4.480 1.00 0.00 O ATOM 963 OE2 GLU A 59 8.862 -13.204 4.644 1.00 0.00 O ATOM 0 H GLU A 59 6.812 -7.204 3.228 1.00 0.00 H new ATOM 0 HA GLU A 59 8.744 -8.185 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.937 -9.883 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.088 -9.970 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.381 -10.841 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.294 -10.691 5.332 1.00 0.00 H new ATOM 970 N GLU A 60 10.457 -8.044 3.436 1.00 0.00 N ATOM 971 CA GLU A 60 11.474 -7.770 2.428 1.00 0.00 C ATOM 972 C GLU A 60 11.563 -8.903 1.414 1.00 0.00 C ATOM 973 O GLU A 60 11.710 -10.069 1.782 1.00 0.00 O ATOM 974 CB GLU A 60 12.837 -7.557 3.091 1.00 0.00 C ATOM 975 CG GLU A 60 13.938 -7.118 2.136 1.00 0.00 C ATOM 976 CD GLU A 60 15.236 -6.823 2.836 1.00 0.00 C ATOM 977 OE1 GLU A 60 15.321 -7.066 4.016 1.00 0.00 O ATOM 978 OE2 GLU A 60 16.143 -6.354 2.190 1.00 0.00 O ATOM 0 H GLU A 60 10.812 -8.088 4.391 1.00 0.00 H new ATOM 0 HA GLU A 60 11.186 -6.860 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.733 -6.807 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.141 -8.485 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.101 -7.899 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.611 -6.229 1.597 1.00 0.00 H new ATOM 985 N VAL A 61 11.474 -8.554 0.135 1.00 0.00 N ATOM 986 CA VAL A 61 11.557 -9.540 -0.936 1.00 0.00 C ATOM 987 C VAL A 61 12.872 -9.419 -1.694 1.00 0.00 C ATOM 988 O VAL A 61 13.629 -10.384 -1.801 1.00 0.00 O ATOM 989 CB VAL A 61 10.384 -9.362 -1.918 1.00 0.00 C ATOM 990 CG1 VAL A 61 10.519 -10.323 -3.089 1.00 0.00 C ATOM 991 CG2 VAL A 61 9.064 -9.578 -1.193 1.00 0.00 C ATOM 0 H VAL A 61 11.344 -7.594 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 61 11.506 -10.529 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 61 10.404 -8.346 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.682 -10.183 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.453 -10.127 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.519 -11.349 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.239 -9.450 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.037 -10.586 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.969 -8.852 -0.385 1.00 0.00 H new ATOM 1001 N SER A 62 13.140 -8.229 -2.220 1.00 0.00 N ATOM 1002 CA SER A 62 14.330 -7.999 -3.030 1.00 0.00 C ATOM 1003 C SER A 62 14.667 -6.515 -3.105 1.00 0.00 C ATOM 1004 O SER A 62 13.915 -5.672 -2.615 1.00 0.00 O ATOM 1005 CB SER A 62 14.125 -8.551 -4.427 1.00 0.00 C ATOM 1006 OG SER A 62 13.189 -7.787 -5.137 1.00 0.00 O ATOM 0 H SER A 62 12.548 -7.407 -2.099 1.00 0.00 H new ATOM 0 HA SER A 62 15.164 -8.516 -2.556 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.075 -8.558 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.785 -9.585 -4.367 1.00 0.00 H new ATOM 0 HG SER A 62 13.075 -8.161 -6.035 1.00 0.00 H new ATOM 1012 N ARG A 63 15.802 -6.202 -3.721 1.00 0.00 N ATOM 1013 CA ARG A 63 16.243 -4.819 -3.856 1.00 0.00 C ATOM 1014 C ARG A 63 16.730 -4.532 -5.271 1.00 0.00 C ATOM 1015 O ARG A 63 17.164 -5.436 -5.984 1.00 0.00 O ATOM 1016 CB ARG A 63 17.360 -4.514 -2.868 1.00 0.00 C ATOM 1017 CG ARG A 63 16.994 -4.721 -1.407 1.00 0.00 C ATOM 1018 CD ARG A 63 18.096 -4.307 -0.501 1.00 0.00 C ATOM 1019 NE ARG A 63 17.827 -4.669 0.881 1.00 0.00 N ATOM 1020 CZ ARG A 63 18.566 -4.270 1.934 1.00 0.00 C ATOM 1021 NH1 ARG A 63 19.614 -3.499 1.747 1.00 0.00 N ATOM 1022 NH2 ARG A 63 18.238 -4.654 3.156 1.00 0.00 N ATOM 0 H ARG A 63 16.433 -6.888 -4.135 1.00 0.00 H new ATOM 0 HA ARG A 63 15.386 -4.180 -3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 63 18.218 -5.143 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.675 -3.480 -3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.096 -4.150 -1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.758 -5.771 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 63 19.026 -4.774 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 63 18.239 -3.229 -0.573 1.00 0.00 H new ATOM 0 HE ARG A 63 17.022 -5.267 1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.868 -3.203 0.804 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.174 -3.197 2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.425 -5.253 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.798 -4.352 3.953 1.00 0.00 H new ATOM 1036 N GLU A 64 16.655 -3.267 -5.672 1.00 0.00 N ATOM 1037 CA GLU A 64 17.130 -2.850 -6.986 1.00 0.00 C ATOM 1038 C GLU A 64 17.724 -1.449 -6.938 1.00 0.00 C ATOM 1039 O GLU A 64 17.128 -0.530 -6.374 1.00 0.00 O ATOM 1040 CB GLU A 64 15.990 -2.897 -8.005 1.00 0.00 C ATOM 1041 CG GLU A 64 16.402 -2.544 -9.427 1.00 0.00 C ATOM 1042 CD GLU A 64 15.269 -2.651 -10.409 1.00 0.00 C ATOM 1043 OE1 GLU A 64 14.171 -2.932 -9.992 1.00 0.00 O ATOM 1044 OE2 GLU A 64 15.501 -2.452 -11.578 1.00 0.00 O ATOM 0 H GLU A 64 16.269 -2.512 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 64 17.913 -3.544 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.558 -3.898 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.206 -2.211 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.796 -1.528 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.211 -3.204 -9.740 1.00 0.00 H new ATOM 1051 N ILE A 65 18.902 -1.290 -7.532 1.00 0.00 N ATOM 1052 CA ILE A 65 19.605 -0.013 -7.509 1.00 0.00 C ATOM 1053 C ILE A 65 18.914 1.013 -8.398 1.00 0.00 C ATOM 1054 O ILE A 65 18.716 0.782 -9.590 1.00 0.00 O ATOM 1055 CB ILE A 65 21.067 -0.183 -7.962 1.00 0.00 C ATOM 1056 CG1 ILE A 65 21.824 -1.094 -6.991 1.00 0.00 C ATOM 1057 CG2 ILE A 65 21.752 1.171 -8.070 1.00 0.00 C ATOM 1058 CD1 ILE A 65 23.194 -1.503 -7.481 1.00 0.00 C ATOM 0 H ILE A 65 19.390 -2.031 -8.036 1.00 0.00 H new ATOM 0 HA ILE A 65 19.589 0.347 -6.480 1.00 0.00 H new ATOM 0 HB ILE A 65 21.073 -0.649 -8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 65 21.928 -0.583 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 65 21.230 -1.990 -6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 65 22.784 1.032 -8.391 1.00 0.00 H new ATOM 0 HG22 ILE A 65 21.225 1.788 -8.798 1.00 0.00 H new ATOM 0 HG23 ILE A 65 21.738 1.664 -7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 65 23.668 -2.147 -6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 65 23.097 -2.043 -8.423 1.00 0.00 H new ATOM 0 HD13 ILE A 65 23.806 -0.614 -7.634 1.00 0.00 H new ATOM 1070 N VAL A 66 18.548 2.147 -7.809 1.00 0.00 N ATOM 1071 CA VAL A 66 17.875 3.210 -8.546 1.00 0.00 C ATOM 1072 C VAL A 66 18.868 4.031 -9.358 1.00 0.00 C ATOM 1073 O VAL A 66 18.684 4.236 -10.558 1.00 0.00 O ATOM 1074 CB VAL A 66 17.118 4.136 -7.576 1.00 0.00 C ATOM 1075 CG1 VAL A 66 16.538 5.329 -8.322 1.00 0.00 C ATOM 1076 CG2 VAL A 66 16.020 3.358 -6.867 1.00 0.00 C ATOM 0 H VAL A 66 18.706 2.353 -6.823 1.00 0.00 H new ATOM 0 HA VAL A 66 17.168 2.742 -9.231 1.00 0.00 H new ATOM 0 HB VAL A 66 17.817 4.512 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 66 16.006 5.973 -7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 66 17.345 5.892 -8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.847 4.978 -9.088 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.489 4.020 -6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.321 2.961 -7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.462 2.535 -6.306 1.00 0.00 H new ATOM 1086 N SER A 67 19.920 4.501 -8.696 1.00 0.00 N ATOM 1087 CA SER A 67 20.892 5.384 -9.330 1.00 0.00 C ATOM 1088 C SER A 67 22.132 5.551 -8.462 1.00 0.00 C ATOM 1089 O SER A 67 22.042 5.595 -7.235 1.00 0.00 O ATOM 1090 CB SER A 67 20.267 6.739 -9.602 1.00 0.00 C ATOM 1091 OG SER A 67 21.190 7.605 -10.203 1.00 0.00 O ATOM 0 H SER A 67 20.121 4.285 -7.720 1.00 0.00 H new ATOM 0 HA SER A 67 21.194 4.930 -10.274 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.399 6.620 -10.250 1.00 0.00 H new ATOM 0 HB3 SER A 67 19.910 7.173 -8.668 1.00 0.00 H new ATOM 0 HG SER A 67 20.764 8.472 -10.371 1.00 0.00 H new ATOM 1097 N THR A 68 23.291 5.644 -9.106 1.00 0.00 N ATOM 1098 CA THR A 68 24.549 5.840 -8.395 1.00 0.00 C ATOM 1099 C THR A 68 25.285 7.071 -8.907 1.00 0.00 C ATOM 1100 O THR A 68 25.013 7.557 -10.005 1.00 0.00 O ATOM 1101 CB THR A 68 25.457 4.603 -8.525 1.00 0.00 C ATOM 1102 OG1 THR A 68 25.827 4.421 -9.898 1.00 0.00 O ATOM 1103 CG2 THR A 68 24.737 3.358 -8.029 1.00 0.00 C ATOM 0 H THR A 68 23.385 5.587 -10.120 1.00 0.00 H new ATOM 0 HA THR A 68 24.306 5.990 -7.343 1.00 0.00 H new ATOM 0 HB THR A 68 26.349 4.760 -7.918 1.00 0.00 H new ATOM 0 HG1 THR A 68 26.406 3.635 -9.979 1.00 0.00 H new ATOM 0 HG21 THR A 68 25.394 2.494 -8.129 1.00 0.00 H new ATOM 0 HG22 THR A 68 24.465 3.488 -6.982 1.00 0.00 H new ATOM 0 HG23 THR A 68 23.836 3.199 -8.621 1.00 0.00 H new ATOM 1111 N SER A 69 26.218 7.573 -8.105 1.00 0.00 N ATOM 1112 CA SER A 69 27.038 8.711 -8.501 1.00 0.00 C ATOM 1113 C SER A 69 28.299 8.803 -7.652 1.00 0.00 C ATOM 1114 O SER A 69 28.229 8.953 -6.433 1.00 0.00 O ATOM 1115 CB SER A 69 26.241 9.996 -8.380 1.00 0.00 C ATOM 1116 OG SER A 69 27.024 11.106 -8.721 1.00 0.00 O ATOM 0 H SER A 69 26.425 7.208 -7.175 1.00 0.00 H new ATOM 0 HA SER A 69 27.335 8.566 -9.540 1.00 0.00 H new ATOM 0 HB2 SER A 69 25.368 9.949 -9.030 1.00 0.00 H new ATOM 0 HB3 SER A 69 25.873 10.105 -7.360 1.00 0.00 H new ATOM 0 HG SER A 69 26.488 11.922 -8.637 1.00 0.00 H new ATOM 1122 N THR A 70 29.453 8.712 -8.305 1.00 0.00 N ATOM 1123 CA THR A 70 30.732 8.715 -7.605 1.00 0.00 C ATOM 1124 C THR A 70 31.399 10.082 -7.682 1.00 0.00 C ATOM 1125 O THR A 70 31.733 10.561 -8.766 1.00 0.00 O ATOM 1126 CB THR A 70 31.679 7.644 -8.176 1.00 0.00 C ATOM 1127 OG1 THR A 70 31.090 6.347 -8.018 1.00 0.00 O ATOM 1128 CG2 THR A 70 33.019 7.679 -7.458 1.00 0.00 C ATOM 0 H THR A 70 29.528 8.635 -9.319 1.00 0.00 H new ATOM 0 HA THR A 70 30.528 8.483 -6.560 1.00 0.00 H new ATOM 0 HB THR A 70 31.840 7.851 -9.234 1.00 0.00 H new ATOM 0 HG1 THR A 70 31.694 5.667 -8.384 1.00 0.00 H new ATOM 0 HG21 THR A 70 33.675 6.915 -7.875 1.00 0.00 H new ATOM 0 HG22 THR A 70 33.476 8.660 -7.588 1.00 0.00 H new ATOM 0 HG23 THR A 70 32.868 7.487 -6.396 1.00 0.00 H new ATOM 1136 N THR A 71 31.592 10.707 -6.525 1.00 0.00 N ATOM 1137 CA THR A 71 32.345 11.953 -6.443 1.00 0.00 C ATOM 1138 C THR A 71 33.792 11.696 -6.045 1.00 0.00 C ATOM 1139 O THR A 71 34.067 11.187 -4.958 1.00 0.00 O ATOM 1140 CB THR A 71 31.698 12.927 -5.441 1.00 0.00 C ATOM 1141 OG1 THR A 71 30.375 13.261 -5.881 1.00 0.00 O ATOM 1142 CG2 THR A 71 32.525 14.198 -5.322 1.00 0.00 C ATOM 0 H THR A 71 31.237 10.370 -5.630 1.00 0.00 H new ATOM 0 HA THR A 71 32.329 12.406 -7.434 1.00 0.00 H new ATOM 0 HB THR A 71 31.652 12.443 -4.465 1.00 0.00 H new ATOM 0 HG1 THR A 71 29.964 13.879 -5.242 1.00 0.00 H new ATOM 0 HG21 THR A 71 32.052 14.874 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 71 33.528 13.948 -4.975 1.00 0.00 H new ATOM 0 HG23 THR A 71 32.588 14.683 -6.296 1.00 0.00 H new ATOM 1150 N ALA A 72 34.716 12.051 -6.932 1.00 0.00 N ATOM 1151 CA ALA A 72 36.135 11.805 -6.701 1.00 0.00 C ATOM 1152 C ALA A 72 36.667 12.669 -5.565 1.00 0.00 C ATOM 1153 O ALA A 72 36.264 13.822 -5.409 1.00 0.00 O ATOM 1154 CB ALA A 72 36.930 12.055 -7.974 1.00 0.00 C ATOM 0 H ALA A 72 34.507 12.510 -7.818 1.00 0.00 H new ATOM 0 HA ALA A 72 36.252 10.761 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 72 37.987 11.867 -7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 72 36.577 11.387 -8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 72 36.796 13.090 -8.289 1.00 0.00 H new ATOM 1160 N PRO A 73 37.573 12.106 -4.774 1.00 0.00 N ATOM 1161 CA PRO A 73 38.207 12.844 -3.688 1.00 0.00 C ATOM 1162 C PRO A 73 39.238 13.830 -4.220 1.00 0.00 C ATOM 1163 O PRO A 73 39.615 13.778 -5.391 1.00 0.00 O ATOM 1164 CB PRO A 73 38.861 11.737 -2.855 1.00 0.00 C ATOM 1165 CG PRO A 73 39.209 10.685 -3.853 1.00 0.00 C ATOM 1166 CD PRO A 73 38.061 10.700 -4.828 1.00 0.00 C ATOM 0 HA PRO A 73 37.508 13.451 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 73 39.747 12.101 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 73 38.179 11.355 -2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 73 40.154 10.905 -4.349 1.00 0.00 H new ATOM 0 HG3 PRO A 73 39.316 9.709 -3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 73 38.385 10.426 -5.832 1.00 0.00 H new ATOM 0 HD3 PRO A 73 37.282 9.994 -4.541 1.00 0.00 H new ATOM 1174 N SER A 74 39.691 14.730 -3.354 1.00 0.00 N ATOM 1175 CA SER A 74 40.689 15.723 -3.732 1.00 0.00 C ATOM 1176 C SER A 74 41.942 15.600 -2.875 1.00 0.00 C ATOM 1177 O SER A 74 42.005 16.138 -1.769 1.00 0.00 O ATOM 1178 CB SER A 74 40.112 17.119 -3.601 1.00 0.00 C ATOM 1179 OG SER A 74 41.066 18.090 -3.933 1.00 0.00 O ATOM 0 H SER A 74 39.382 14.792 -2.384 1.00 0.00 H new ATOM 0 HA SER A 74 40.966 15.542 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 74 39.244 17.220 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 74 39.765 17.279 -2.580 1.00 0.00 H new ATOM 0 HG SER A 74 41.387 18.526 -3.116 1.00 0.00 H new ATOM 1185 N PRO A 75 42.938 14.887 -3.390 1.00 0.00 N ATOM 1186 CA PRO A 75 44.216 14.746 -2.702 1.00 0.00 C ATOM 1187 C PRO A 75 44.820 16.107 -2.379 1.00 0.00 C ATOM 1188 O PRO A 75 44.697 17.052 -3.157 1.00 0.00 O ATOM 1189 CB PRO A 75 45.069 13.975 -3.714 1.00 0.00 C ATOM 1190 CG PRO A 75 44.077 13.210 -4.521 1.00 0.00 C ATOM 1191 CD PRO A 75 42.906 14.146 -4.662 1.00 0.00 C ATOM 0 HA PRO A 75 44.136 14.238 -1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 75 45.654 14.650 -4.338 1.00 0.00 H new ATOM 0 HB3 PRO A 75 45.774 13.310 -3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 75 44.484 12.934 -5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 75 43.788 12.285 -4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 75 43.016 14.808 -5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 75 41.968 13.606 -4.794 1.00 0.00 H new ATOM 1199 N ARG A 76 45.474 16.199 -1.226 1.00 0.00 N ATOM 1200 CA ARG A 76 46.046 17.460 -0.768 1.00 0.00 C ATOM 1201 C ARG A 76 47.458 17.651 -1.305 1.00 0.00 C ATOM 1202 O ARG A 76 48.328 16.802 -1.109 1.00 0.00 O ATOM 1203 CB ARG A 76 46.073 17.515 0.752 1.00 0.00 C ATOM 1204 CG ARG A 76 46.566 18.829 1.336 1.00 0.00 C ATOM 1205 CD ARG A 76 46.607 18.790 2.820 1.00 0.00 C ATOM 1206 NE ARG A 76 46.980 20.076 3.386 1.00 0.00 N ATOM 1207 CZ ARG A 76 47.422 20.258 4.646 1.00 0.00 C ATOM 1208 NH1 ARG A 76 47.541 19.230 5.456 1.00 0.00 N ATOM 1209 NH2 ARG A 76 47.736 21.471 5.067 1.00 0.00 N ATOM 0 H ARG A 76 45.621 15.415 -0.591 1.00 0.00 H new ATOM 0 HA ARG A 76 45.414 18.263 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 76 45.067 17.323 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 76 46.709 16.710 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 76 47.562 19.048 0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 76 45.913 19.639 1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 76 45.630 18.495 3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 76 47.319 18.031 3.144 1.00 0.00 H new ATOM 0 HE ARG A 76 46.902 20.898 2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 76 47.299 18.294 5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 76 47.876 19.368 6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 76 47.644 22.269 4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 76 48.071 21.609 6.021 1.00 0.00 H new ATOM 1223 N ILE A 77 47.681 18.771 -1.985 1.00 0.00 N ATOM 1224 CA ILE A 77 48.999 19.093 -2.520 1.00 0.00 C ATOM 1225 C ILE A 77 49.514 20.412 -1.959 1.00 0.00 C ATOM 1226 O ILE A 77 48.901 21.462 -2.153 1.00 0.00 O ATOM 1227 CB ILE A 77 48.964 19.167 -4.057 1.00 0.00 C ATOM 1228 CG1 ILE A 77 48.478 17.839 -4.645 1.00 0.00 C ATOM 1229 CG2 ILE A 77 50.337 19.525 -4.604 1.00 0.00 C ATOM 1230 CD1 ILE A 77 48.240 17.883 -6.137 1.00 0.00 C ATOM 0 H ILE A 77 46.965 19.471 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 77 49.676 18.295 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 77 48.264 19.949 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 77 49.214 17.065 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 77 47.553 17.549 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 77 50.294 19.573 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 77 50.644 20.494 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 77 51.058 18.765 -4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 77 47.898 16.907 -6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 77 47.482 18.633 -6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 77 49.169 18.141 -6.646 1.00 0.00 H new ATOM 1242 N VAL A 78 50.643 20.352 -1.261 1.00 0.00 N ATOM 1243 CA VAL A 78 51.223 21.536 -0.639 1.00 0.00 C ATOM 1244 C VAL A 78 52.596 21.847 -1.221 1.00 0.00 C ATOM 1245 O VAL A 78 53.438 20.960 -1.359 1.00 0.00 O ATOM 1246 CB VAL A 78 51.348 21.333 0.883 1.00 0.00 C ATOM 1247 CG1 VAL A 78 52.016 22.538 1.527 1.00 0.00 C ATOM 1248 CG2 VAL A 78 49.974 21.090 1.487 1.00 0.00 C ATOM 0 H VAL A 78 51.175 19.495 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 78 50.559 22.376 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 78 51.971 20.460 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 78 52.096 22.378 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 78 53.012 22.671 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 78 51.419 23.430 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 78 50.070 20.947 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 78 49.333 21.949 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 78 49.533 20.199 1.041 1.00 0.00 H new ATOM 1258 N GLU A 79 52.816 23.112 -1.562 1.00 0.00 N ATOM 1259 CA GLU A 79 54.103 23.552 -2.087 1.00 0.00 C ATOM 1260 C GLU A 79 54.969 24.155 -0.989 1.00 0.00 C ATOM 1261 O GLU A 79 54.615 25.172 -0.393 1.00 0.00 O ATOM 1262 CB GLU A 79 53.900 24.573 -3.209 1.00 0.00 C ATOM 1263 CG GLU A 79 53.135 24.042 -4.413 1.00 0.00 C ATOM 1264 CD GLU A 79 52.916 25.084 -5.474 1.00 0.00 C ATOM 1265 OE1 GLU A 79 53.366 26.191 -5.294 1.00 0.00 O ATOM 1266 OE2 GLU A 79 52.299 24.774 -6.465 1.00 0.00 O ATOM 0 H GLU A 79 52.118 23.852 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 79 54.616 22.677 -2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.367 25.435 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 79 54.876 24.928 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 79 53.682 23.203 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 79 52.170 23.658 -4.083 1.00 0.00 H new ATOM 1273 N LYS A 80 56.107 23.522 -0.726 1.00 0.00 N ATOM 1274 CA LYS A 80 57.038 24.007 0.286 1.00 0.00 C ATOM 1275 C LYS A 80 58.230 24.707 -0.354 1.00 0.00 C ATOM 1276 O LYS A 80 58.846 24.182 -1.281 1.00 0.00 O ATOM 1277 CB LYS A 80 57.517 22.855 1.170 1.00 0.00 C ATOM 1278 CG LYS A 80 58.450 23.274 2.299 1.00 0.00 C ATOM 1279 CD LYS A 80 58.840 22.085 3.163 1.00 0.00 C ATOM 1280 CE LYS A 80 59.794 22.497 4.275 1.00 0.00 C ATOM 1281 NZ LYS A 80 60.183 21.343 5.130 1.00 0.00 N ATOM 0 H LYS A 80 56.407 22.670 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 80 56.509 24.731 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 80 56.648 22.357 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 80 58.028 22.122 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 80 59.346 23.733 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 80 57.963 24.030 2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 80 57.945 21.639 3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 80 59.309 21.321 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 80 60.688 22.943 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 80 59.323 23.263 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 60.833 21.666 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 59.333 20.932 5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 60.655 20.623 4.547 1.00 0.00 H new ATOM 1295 N GLY A 81 58.552 25.895 0.148 1.00 0.00 N ATOM 1296 CA GLY A 81 59.654 26.681 -0.391 1.00 0.00 C ATOM 1297 C GLY A 81 61.000 26.092 0.011 1.00 0.00 C ATOM 1298 O GLY A 81 61.078 25.251 0.906 1.00 0.00 O ATOM 0 H GLY A 81 58.064 26.334 0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 81 59.580 26.718 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 81 59.582 27.708 -0.032 1.00 0.00 H new ATOM 1302 N THR A 82 62.059 26.537 -0.657 1.00 0.00 N ATOM 1303 CA THR A 82 63.388 25.975 -0.449 1.00 0.00 C ATOM 1304 C THR A 82 64.474 26.975 -0.826 1.00 0.00 C ATOM 1305 O THR A 82 64.196 28.153 -1.051 1.00 0.00 O ATOM 1306 CB THR A 82 63.575 24.679 -1.260 1.00 0.00 C ATOM 1307 OG1 THR A 82 64.819 24.064 -0.903 1.00 0.00 O ATOM 1308 CG2 THR A 82 63.570 24.978 -2.751 1.00 0.00 C ATOM 0 H THR A 82 62.022 27.286 -1.348 1.00 0.00 H new ATOM 0 HA THR A 82 63.478 25.743 0.612 1.00 0.00 H new ATOM 0 HB THR A 82 62.750 24.004 -1.033 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.868 23.170 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.703 24.051 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 82 62.619 25.434 -3.027 1.00 0.00 H new ATOM 0 HG23 THR A 82 64.384 25.664 -2.987 1.00 0.00 H new ATOM 1316 N LYS A 83 65.712 26.498 -0.892 1.00 0.00 N ATOM 1317 CA LYS A 83 66.831 27.330 -1.320 1.00 0.00 C ATOM 1318 C LYS A 83 67.384 26.864 -2.660 1.00 0.00 C ATOM 1319 O LYS A 83 68.174 27.563 -3.294 1.00 0.00 O ATOM 1320 CB LYS A 83 67.938 27.323 -0.264 1.00 0.00 C ATOM 1321 CG LYS A 83 67.542 27.951 1.066 1.00 0.00 C ATOM 1322 CD LYS A 83 67.307 29.447 0.922 1.00 0.00 C ATOM 1323 CE LYS A 83 67.112 30.110 2.278 1.00 0.00 C ATOM 1324 NZ LYS A 83 66.910 31.580 2.155 1.00 0.00 N ATOM 0 H LYS A 83 65.966 25.539 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 83 66.462 28.348 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 83 68.249 26.293 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 83 68.804 27.854 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 83 66.637 27.473 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 83 68.326 27.773 1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 83 68.155 29.903 0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 83 66.429 29.621 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 83 66.251 29.666 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 83 67.981 29.915 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 66.781 31.993 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 67.742 32.008 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 66.066 31.767 1.577 1.00 0.00 H new