USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 636 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 31 LYS NZ :NH3+ -128:sc= 0.603 (180deg=-0.0285) USER MOD Set 1.2: A 106 TYR OH : rot 165:sc= 0.326 USER MOD Set 2.1: A 68 CYS SG : rot -123:sc= 1.5 USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0.537 USER MOD Set 3.1: A 49 SER OG : rot -73:sc= 0.832 USER MOD Set 3.2: A 64 HIS : no HD1:sc= -7.58! C(o=-6.7!,f=-19!) USER MOD Set 4.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 GLN :FLIP amide:sc= -0.0604 F(o=-2.4,f=-1.6) USER MOD Set 4.3: A 24 GLN :FLIP amide:sc= -1.54! C(o=-2.1!,f=-1.6!) USER MOD Set 5.1: A 13 TYR OH : rot 166:sc= -1.02 USER MOD Set 5.2: A 15 LYS NZ :NH3+ -130:sc= 0.0182 (180deg=-0.432!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 16 HIS : no HD1:sc= -0.281 K(o=-0.28,f=-0.99) USER MOD Single : A 17 MET CE :methyl -162:sc= -1.51 (180deg=-2.75!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0.369 (180deg=0.354) USER MOD Single : A 28 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.55) USER MOD Single : A 40 SER OG : rot -140:sc= 0.299 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -125:sc= -0.0301 (180deg=-0.428) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0.349) USER MOD Single : A 54 SER OG : rot 64:sc= 0.15 USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.38! USER MOD Single : A 59 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.3!) USER MOD Single : A 65 TYR OH : rot -149:sc= -1.32 USER MOD Single : A 69 SER OG : rot 38:sc= -2.71! USER MOD Single : A 70 THR OG1 : rot -90:sc= -3.19! USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -4.89! C(o=-8.5!,f=-4.9!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-3.4!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -54:sc= -0.593! USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -3.445 3.064 -11.971 1.00 0.00 N ATOM 151 CA GLU A 11 -3.799 4.052 -10.908 1.00 0.00 C ATOM 152 C GLU A 11 -3.031 3.757 -9.620 1.00 0.00 C ATOM 153 O GLU A 11 -2.495 4.645 -8.989 1.00 0.00 O ATOM 154 CB GLU A 11 -5.298 3.861 -10.653 1.00 0.00 C ATOM 155 CG GLU A 11 -5.920 5.188 -10.233 1.00 0.00 C ATOM 156 CD GLU A 11 -6.144 6.065 -11.467 1.00 0.00 C ATOM 157 OE1 GLU A 11 -6.588 5.536 -12.472 1.00 0.00 O ATOM 158 OE2 GLU A 11 -5.865 7.249 -11.386 1.00 0.00 O ATOM 0 HA GLU A 11 -3.551 5.068 -11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.786 3.489 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.452 3.113 -9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.867 5.012 -9.723 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.267 5.699 -9.525 1.00 0.00 H new ATOM 165 N TRP A 12 -3.002 2.514 -9.218 1.00 0.00 N ATOM 166 CA TRP A 12 -2.314 2.128 -7.947 1.00 0.00 C ATOM 167 C TRP A 12 -0.972 2.838 -7.788 1.00 0.00 C ATOM 168 O TRP A 12 -0.503 3.041 -6.689 1.00 0.00 O ATOM 169 CB TRP A 12 -2.109 0.616 -8.030 1.00 0.00 C ATOM 170 CG TRP A 12 -1.368 0.272 -9.284 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.945 -0.083 -10.455 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.071 0.244 -9.512 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.952 -0.326 -11.387 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.307 -0.140 -10.854 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.183 0.509 -8.693 1.00 0.00 C ATOM 176 CZ2 TRP A 12 1.600 -0.254 -11.365 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.487 0.395 -9.204 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.694 0.015 -10.538 1.00 0.00 C ATOM 0 H TRP A 12 -3.431 1.738 -9.722 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.912 2.416 -7.082 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.552 0.267 -7.160 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.073 0.108 -8.016 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.007 -0.164 -10.633 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -1.129 -0.608 -12.351 1.00 0.00 H new ATOM 0 HE3 TRP A 12 1.034 0.802 -7.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 1.755 -0.548 -12.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.334 0.601 -8.566 1.00 0.00 H new ATOM 0 HH2 TRP A 12 3.698 -0.070 -10.926 1.00 0.00 H new ATOM 189 N TYR A 13 -0.349 3.222 -8.861 1.00 0.00 N ATOM 190 CA TYR A 13 0.964 3.918 -8.722 1.00 0.00 C ATOM 191 C TYR A 13 0.743 5.405 -8.433 1.00 0.00 C ATOM 192 O TYR A 13 0.075 6.099 -9.174 1.00 0.00 O ATOM 193 CB TYR A 13 1.679 3.733 -10.059 1.00 0.00 C ATOM 194 CG TYR A 13 3.111 4.178 -9.907 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.973 3.474 -9.058 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.576 5.300 -10.603 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.300 3.890 -8.907 1.00 0.00 C ATOM 198 CE2 TYR A 13 4.903 5.716 -10.453 1.00 0.00 C ATOM 199 CZ TYR A 13 5.766 5.010 -9.605 1.00 0.00 C ATOM 200 OH TYR A 13 7.075 5.421 -9.456 1.00 0.00 O ATOM 0 H TYR A 13 -0.681 3.089 -9.816 1.00 0.00 H new ATOM 0 HA TYR A 13 1.551 3.512 -7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.639 2.688 -10.368 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.183 4.314 -10.836 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.614 2.610 -8.520 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.910 5.845 -11.256 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.965 3.347 -8.252 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.262 6.581 -10.991 1.00 0.00 H new ATOM 0 HH TYR A 13 7.299 6.062 -10.162 1.00 0.00 H new ATOM 210 N SER A 14 1.296 5.895 -7.353 1.00 0.00 N ATOM 211 CA SER A 14 1.115 7.334 -7.005 1.00 0.00 C ATOM 212 C SER A 14 2.432 7.934 -6.511 1.00 0.00 C ATOM 213 O SER A 14 3.129 7.349 -5.704 1.00 0.00 O ATOM 214 CB SER A 14 0.081 7.343 -5.883 1.00 0.00 C ATOM 215 OG SER A 14 -1.008 6.503 -6.240 1.00 0.00 O ATOM 0 H SER A 14 1.865 5.359 -6.698 1.00 0.00 H new ATOM 0 HA SER A 14 0.797 7.924 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.533 6.996 -4.954 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.272 8.359 -5.706 1.00 0.00 H new ATOM 0 HG SER A 14 -1.673 6.506 -5.520 1.00 0.00 H new ATOM 221 N LYS A 15 2.775 9.096 -6.989 1.00 0.00 N ATOM 222 CA LYS A 15 4.044 9.742 -6.554 1.00 0.00 C ATOM 223 C LYS A 15 3.852 10.476 -5.224 1.00 0.00 C ATOM 224 O LYS A 15 3.100 11.424 -5.125 1.00 0.00 O ATOM 225 CB LYS A 15 4.392 10.731 -7.672 1.00 0.00 C ATOM 226 CG LYS A 15 5.654 10.260 -8.405 1.00 0.00 C ATOM 227 CD LYS A 15 5.486 8.801 -8.848 1.00 0.00 C ATOM 228 CE LYS A 15 6.366 7.894 -7.978 1.00 0.00 C ATOM 229 NZ LYS A 15 5.455 6.830 -7.460 1.00 0.00 N ATOM 0 H LYS A 15 2.229 9.629 -7.666 1.00 0.00 H new ATOM 0 HA LYS A 15 4.837 9.012 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.561 10.810 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.552 11.725 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.839 10.894 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.521 10.353 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.441 8.502 -8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.762 8.695 -9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.181 7.463 -8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.819 8.455 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.570 6.746 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.470 7.080 -7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.690 5.922 -7.910 1.00 0.00 H new ATOM 243 N HIS A 16 4.544 10.037 -4.207 1.00 0.00 N ATOM 244 CA HIS A 16 4.443 10.690 -2.868 1.00 0.00 C ATOM 245 C HIS A 16 2.999 10.701 -2.359 1.00 0.00 C ATOM 246 O HIS A 16 2.541 11.680 -1.801 1.00 0.00 O ATOM 247 CB HIS A 16 4.955 12.117 -3.073 1.00 0.00 C ATOM 248 CG HIS A 16 6.445 12.090 -3.272 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.029 11.544 -4.405 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.483 12.538 -2.494 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.362 11.676 -4.277 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.693 12.276 -3.131 1.00 0.00 N ATOM 0 H HIS A 16 5.183 9.243 -4.247 1.00 0.00 H new ATOM 0 HA HIS A 16 5.023 10.151 -2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.470 12.568 -3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.704 12.733 -2.209 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.377 13.020 -1.534 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.077 11.338 -5.012 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.631 12.495 -2.795 1.00 0.00 H new ATOM 260 N MET A 17 2.282 9.621 -2.524 1.00 0.00 N ATOM 261 CA MET A 17 0.877 9.583 -2.021 1.00 0.00 C ATOM 262 C MET A 17 0.887 9.295 -0.515 1.00 0.00 C ATOM 263 O MET A 17 1.453 8.319 -0.064 1.00 0.00 O ATOM 264 CB MET A 17 0.202 8.447 -2.792 1.00 0.00 C ATOM 265 CG MET A 17 -1.251 8.298 -2.327 1.00 0.00 C ATOM 266 SD MET A 17 -2.363 9.019 -3.560 1.00 0.00 S ATOM 267 CE MET A 17 -1.813 10.734 -3.388 1.00 0.00 C ATOM 0 H MET A 17 2.605 8.769 -2.982 1.00 0.00 H new ATOM 0 HA MET A 17 0.350 10.525 -2.168 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.232 8.653 -3.862 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.743 7.514 -2.631 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.490 7.245 -2.180 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.388 8.793 -1.366 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.564 11.401 -3.811 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.674 10.967 -2.332 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.869 10.868 -3.917 1.00 0.00 H new ATOM 277 N THR A 18 0.283 10.152 0.264 1.00 0.00 N ATOM 278 CA THR A 18 0.274 9.950 1.745 1.00 0.00 C ATOM 279 C THR A 18 -0.537 8.710 2.138 1.00 0.00 C ATOM 280 O THR A 18 -1.554 8.397 1.545 1.00 0.00 O ATOM 281 CB THR A 18 -0.378 11.210 2.313 1.00 0.00 C ATOM 282 OG1 THR A 18 0.106 12.350 1.613 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.035 11.338 3.798 1.00 0.00 C ATOM 0 H THR A 18 -0.206 10.986 -0.061 1.00 0.00 H new ATOM 0 HA THR A 18 1.281 9.790 2.130 1.00 0.00 H new ATOM 0 HB THR A 18 -1.460 11.144 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.313 13.159 1.975 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.500 12.237 4.203 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.406 10.464 4.334 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.046 11.404 3.917 1.00 0.00 H new ATOM 291 N ARG A 19 -0.091 8.013 3.151 1.00 0.00 N ATOM 292 CA ARG A 19 -0.822 6.798 3.618 1.00 0.00 C ATOM 293 C ARG A 19 -2.243 7.175 4.031 1.00 0.00 C ATOM 294 O ARG A 19 -3.201 6.465 3.779 1.00 0.00 O ATOM 295 CB ARG A 19 -0.030 6.311 4.840 1.00 0.00 C ATOM 296 CG ARG A 19 -0.205 7.297 6.011 1.00 0.00 C ATOM 297 CD ARG A 19 0.714 6.890 7.167 1.00 0.00 C ATOM 298 NE ARG A 19 1.764 7.948 7.222 1.00 0.00 N ATOM 299 CZ ARG A 19 2.730 7.860 8.096 1.00 0.00 C ATOM 300 NH1 ARG A 19 2.469 7.510 9.325 1.00 0.00 N ATOM 301 NH2 ARG A 19 3.957 8.120 7.737 1.00 0.00 N ATOM 0 H ARG A 19 0.754 8.235 3.678 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.899 6.034 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.374 5.320 5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.026 6.220 4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.031 8.310 5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.243 7.302 6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.164 6.832 8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.153 5.908 6.994 1.00 0.00 H new ATOM 0 HE ARG A 19 1.727 8.738 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.510 7.305 9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.224 7.441 10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.160 8.391 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.713 8.052 8.418 1.00 0.00 H new ATOM 315 N SER A 20 -2.370 8.299 4.671 1.00 0.00 N ATOM 316 CA SER A 20 -3.697 8.765 5.131 1.00 0.00 C ATOM 317 C SER A 20 -4.547 9.128 3.918 1.00 0.00 C ATOM 318 O SER A 20 -5.741 8.901 3.896 1.00 0.00 O ATOM 319 CB SER A 20 -3.377 9.975 6.009 1.00 0.00 C ATOM 320 OG SER A 20 -4.167 11.089 5.612 1.00 0.00 O ATOM 0 H SER A 20 -1.596 8.923 4.897 1.00 0.00 H new ATOM 0 HA SER A 20 -4.269 8.021 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.570 9.737 7.055 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.319 10.223 5.929 1.00 0.00 H new ATOM 0 HG SER A 20 -3.956 11.859 6.181 1.00 0.00 H new ATOM 326 N GLN A 21 -3.934 9.659 2.894 1.00 0.00 N ATOM 327 CA GLN A 21 -4.703 9.996 1.668 1.00 0.00 C ATOM 328 C GLN A 21 -5.264 8.707 1.078 1.00 0.00 C ATOM 329 O GLN A 21 -6.396 8.654 0.645 1.00 0.00 O ATOM 330 CB GLN A 21 -3.697 10.643 0.719 1.00 0.00 C ATOM 331 CG GLN A 21 -3.465 12.093 1.143 1.00 0.00 C ATOM 332 CD GLN A 21 -4.576 12.977 0.574 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.374 13.607 1.393 1.00 0.00 O flip ATOM 334 NE2 GLN A 21 -4.719 13.095 -0.626 1.00 0.00 N flip ATOM 0 H GLN A 21 -2.937 9.872 2.856 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.540 10.668 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.757 10.092 0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.069 10.606 -0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.449 12.167 2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.494 12.436 0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.095 12.602 -1.265 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.463 13.687 -0.995 1.00 0.00 H new ATOM 343 N ALA A 22 -4.483 7.655 1.087 1.00 0.00 N ATOM 344 CA ALA A 22 -4.983 6.359 0.555 1.00 0.00 C ATOM 345 C ALA A 22 -6.179 5.911 1.388 1.00 0.00 C ATOM 346 O ALA A 22 -7.216 5.574 0.864 1.00 0.00 O ATOM 347 CB ALA A 22 -3.818 5.376 0.701 1.00 0.00 C ATOM 0 H ALA A 22 -3.526 7.642 1.439 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.308 6.426 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.119 4.397 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.964 5.737 0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.541 5.293 1.752 1.00 0.00 H new ATOM 353 N GLU A 23 -6.043 5.921 2.686 1.00 0.00 N ATOM 354 CA GLU A 23 -7.180 5.508 3.561 1.00 0.00 C ATOM 355 C GLU A 23 -8.435 6.316 3.231 1.00 0.00 C ATOM 356 O GLU A 23 -9.496 5.762 3.014 1.00 0.00 O ATOM 357 CB GLU A 23 -6.731 5.817 4.992 1.00 0.00 C ATOM 358 CG GLU A 23 -5.519 4.962 5.356 1.00 0.00 C ATOM 359 CD GLU A 23 -5.061 5.304 6.775 1.00 0.00 C ATOM 360 OE1 GLU A 23 -5.849 5.130 7.690 1.00 0.00 O ATOM 361 OE2 GLU A 23 -3.929 5.735 6.923 1.00 0.00 O ATOM 0 H GLU A 23 -5.194 6.197 3.180 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.425 4.455 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.481 6.874 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.547 5.621 5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.774 3.904 5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.709 5.140 4.648 1.00 0.00 H new ATOM 368 N GLN A 24 -8.334 7.619 3.208 1.00 0.00 N ATOM 369 CA GLN A 24 -9.538 8.439 2.913 1.00 0.00 C ATOM 370 C GLN A 24 -9.995 8.239 1.470 1.00 0.00 C ATOM 371 O GLN A 24 -11.168 8.044 1.220 1.00 0.00 O ATOM 372 CB GLN A 24 -9.143 9.896 3.178 1.00 0.00 C ATOM 373 CG GLN A 24 -8.006 10.326 2.248 1.00 0.00 C ATOM 374 CD GLN A 24 -7.591 11.758 2.589 1.00 0.00 C ATOM 375 OE1 GLN A 24 -7.997 12.741 1.832 1.00 0.00 O flip ATOM 376 NE2 GLN A 24 -6.889 11.987 3.554 1.00 0.00 N flip ATOM 0 H GLN A 24 -7.477 8.144 3.379 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.379 8.146 3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.006 10.545 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.833 10.011 4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.156 9.653 2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.328 10.266 1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.571 11.220 4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.618 12.946 3.771 1.00 0.00 H new ATOM 385 N LEU A 25 -9.105 8.276 0.511 1.00 0.00 N ATOM 386 CA LEU A 25 -9.570 8.073 -0.887 1.00 0.00 C ATOM 387 C LEU A 25 -9.986 6.613 -1.080 1.00 0.00 C ATOM 388 O LEU A 25 -10.783 6.301 -1.944 1.00 0.00 O ATOM 389 CB LEU A 25 -8.410 8.476 -1.806 1.00 0.00 C ATOM 390 CG LEU A 25 -7.238 7.507 -1.656 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.431 6.325 -2.610 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.934 8.240 -2.002 1.00 0.00 C ATOM 0 H LEU A 25 -8.105 8.434 0.632 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.444 8.681 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.748 8.488 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.084 9.488 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.191 7.139 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.596 5.632 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.361 5.811 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.473 6.689 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.093 7.555 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.982 8.602 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.801 9.084 -1.326 1.00 0.00 H new ATOM 404 N LEU A 26 -9.495 5.718 -0.256 1.00 0.00 N ATOM 405 CA LEU A 26 -9.922 4.297 -0.381 1.00 0.00 C ATOM 406 C LEU A 26 -11.316 4.177 0.233 1.00 0.00 C ATOM 407 O LEU A 26 -12.267 3.801 -0.424 1.00 0.00 O ATOM 408 CB LEU A 26 -8.903 3.476 0.416 1.00 0.00 C ATOM 409 CG LEU A 26 -7.772 3.001 -0.507 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.699 2.284 0.320 1.00 0.00 C ATOM 411 CD2 LEU A 26 -8.331 2.034 -1.558 1.00 0.00 C ATOM 0 H LEU A 26 -8.825 5.911 0.488 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.963 3.948 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.493 4.078 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.394 2.617 0.874 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.333 3.865 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.897 1.948 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.294 2.970 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.141 1.424 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.524 1.700 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.775 1.172 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.091 2.542 -2.152 1.00 0.00 H new ATOM 423 N LYS A 27 -11.446 4.527 1.489 1.00 0.00 N ATOM 424 CA LYS A 27 -12.781 4.472 2.155 1.00 0.00 C ATOM 425 C LYS A 27 -13.819 5.232 1.324 1.00 0.00 C ATOM 426 O LYS A 27 -14.911 4.757 1.081 1.00 0.00 O ATOM 427 CB LYS A 27 -12.572 5.181 3.492 1.00 0.00 C ATOM 428 CG LYS A 27 -13.819 5.023 4.365 1.00 0.00 C ATOM 429 CD LYS A 27 -14.049 3.541 4.666 1.00 0.00 C ATOM 430 CE LYS A 27 -14.503 3.374 6.118 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.991 3.367 6.057 1.00 0.00 N ATOM 0 H LYS A 27 -10.681 4.849 2.082 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.143 3.450 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.704 4.764 4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.366 6.238 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.697 5.579 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.688 5.440 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.802 3.135 3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.131 2.978 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.121 2.448 6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.137 4.189 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.378 3.341 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.323 4.226 5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.313 2.529 5.533 1.00 0.00 H new ATOM 445 N GLN A 28 -13.480 6.420 0.906 1.00 0.00 N ATOM 446 CA GLN A 28 -14.438 7.242 0.104 1.00 0.00 C ATOM 447 C GLN A 28 -14.785 6.563 -1.229 1.00 0.00 C ATOM 448 O GLN A 28 -15.938 6.494 -1.607 1.00 0.00 O ATOM 449 CB GLN A 28 -13.715 8.566 -0.139 1.00 0.00 C ATOM 450 CG GLN A 28 -14.743 9.663 -0.417 1.00 0.00 C ATOM 451 CD GLN A 28 -15.420 10.072 0.893 1.00 0.00 C ATOM 452 OE1 GLN A 28 -16.440 9.523 1.260 1.00 0.00 O ATOM 453 NE2 GLN A 28 -14.890 11.019 1.618 1.00 0.00 N ATOM 0 H GLN A 28 -12.578 6.861 1.085 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.385 7.376 0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.113 8.829 0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.032 8.470 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.256 10.526 -0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.488 9.306 -1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.034 11.479 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.332 11.299 2.494 1.00 0.00 H new ATOM 462 N GLU A 29 -13.812 6.059 -1.947 1.00 0.00 N ATOM 463 CA GLU A 29 -14.126 5.391 -3.246 1.00 0.00 C ATOM 464 C GLU A 29 -14.929 4.121 -2.969 1.00 0.00 C ATOM 465 O GLU A 29 -15.848 3.785 -3.689 1.00 0.00 O ATOM 466 CB GLU A 29 -12.772 5.076 -3.896 1.00 0.00 C ATOM 467 CG GLU A 29 -12.948 4.914 -5.411 1.00 0.00 C ATOM 468 CD GLU A 29 -13.537 6.194 -6.008 1.00 0.00 C ATOM 469 OE1 GLU A 29 -12.808 7.168 -6.108 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.706 6.180 -6.356 1.00 0.00 O ATOM 0 H GLU A 29 -12.824 6.081 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.726 6.014 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.063 5.877 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.357 4.163 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.987 4.695 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.604 4.069 -5.621 1.00 0.00 H new ATOM 477 N GLY A 30 -14.605 3.434 -1.909 1.00 0.00 N ATOM 478 CA GLY A 30 -15.363 2.208 -1.552 1.00 0.00 C ATOM 479 C GLY A 30 -14.961 1.036 -2.449 1.00 0.00 C ATOM 480 O GLY A 30 -15.734 0.125 -2.670 1.00 0.00 O ATOM 0 H GLY A 30 -13.844 3.672 -1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.178 1.952 -0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.432 2.396 -1.650 1.00 0.00 H new ATOM 484 N LYS A 31 -13.759 1.039 -2.955 1.00 0.00 N ATOM 485 CA LYS A 31 -13.314 -0.093 -3.822 1.00 0.00 C ATOM 486 C LYS A 31 -12.739 -1.206 -2.951 1.00 0.00 C ATOM 487 O LYS A 31 -11.579 -1.169 -2.591 1.00 0.00 O ATOM 488 CB LYS A 31 -12.205 0.474 -4.712 1.00 0.00 C ATOM 489 CG LYS A 31 -12.644 1.803 -5.345 1.00 0.00 C ATOM 490 CD LYS A 31 -13.999 1.637 -6.045 1.00 0.00 C ATOM 491 CE LYS A 31 -13.900 2.152 -7.484 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.926 1.379 -8.238 1.00 0.00 N ATOM 0 H LYS A 31 -13.066 1.773 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.138 -0.502 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.301 0.627 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.957 -0.243 -5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.716 2.573 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.895 2.137 -6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.295 0.588 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.769 2.186 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.096 3.223 -7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.903 1.990 -7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.489 0.948 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.315 0.631 -7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.692 2.017 -8.535 1.00 0.00 H new ATOM 506 N GLU A 32 -13.519 -2.197 -2.597 1.00 0.00 N ATOM 507 CA GLU A 32 -12.947 -3.276 -1.741 1.00 0.00 C ATOM 508 C GLU A 32 -11.745 -3.897 -2.436 1.00 0.00 C ATOM 509 O GLU A 32 -11.796 -4.251 -3.598 1.00 0.00 O ATOM 510 CB GLU A 32 -14.033 -4.327 -1.509 1.00 0.00 C ATOM 511 CG GLU A 32 -14.766 -4.636 -2.820 1.00 0.00 C ATOM 512 CD GLU A 32 -14.973 -6.147 -2.949 1.00 0.00 C ATOM 513 OE1 GLU A 32 -14.031 -6.878 -2.688 1.00 0.00 O ATOM 514 OE2 GLU A 32 -16.068 -6.546 -3.307 1.00 0.00 O ATOM 0 H GLU A 32 -14.500 -2.304 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.617 -2.871 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.587 -5.238 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.743 -3.968 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.728 -4.124 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.190 -4.264 -3.667 1.00 0.00 H new ATOM 521 N GLY A 33 -10.660 -4.013 -1.734 1.00 0.00 N ATOM 522 CA GLY A 33 -9.444 -4.585 -2.339 1.00 0.00 C ATOM 523 C GLY A 33 -8.736 -3.511 -3.171 1.00 0.00 C ATOM 524 O GLY A 33 -7.848 -3.809 -3.943 1.00 0.00 O ATOM 0 H GLY A 33 -10.567 -3.732 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.777 -4.956 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.704 -5.436 -2.969 1.00 0.00 H new ATOM 528 N GLY A 34 -9.104 -2.255 -3.017 1.00 0.00 N ATOM 529 CA GLY A 34 -8.426 -1.186 -3.802 1.00 0.00 C ATOM 530 C GLY A 34 -6.931 -1.294 -3.558 1.00 0.00 C ATOM 531 O GLY A 34 -6.504 -1.641 -2.476 1.00 0.00 O ATOM 0 H GLY A 34 -9.838 -1.934 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.647 -1.296 -4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.790 -0.204 -3.501 1.00 0.00 H new ATOM 535 N PHE A 35 -6.133 -1.043 -4.555 1.00 0.00 N ATOM 536 CA PHE A 35 -4.662 -1.180 -4.367 1.00 0.00 C ATOM 537 C PHE A 35 -3.907 0.078 -4.809 1.00 0.00 C ATOM 538 O PHE A 35 -4.029 0.525 -5.933 1.00 0.00 O ATOM 539 CB PHE A 35 -4.294 -2.361 -5.256 1.00 0.00 C ATOM 540 CG PHE A 35 -2.885 -2.811 -4.962 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.811 -2.249 -5.662 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.654 -3.800 -4.001 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.505 -2.677 -5.399 1.00 0.00 C ATOM 544 CE2 PHE A 35 -1.348 -4.227 -3.736 1.00 0.00 C ATOM 545 CZ PHE A 35 -0.273 -3.667 -4.437 1.00 0.00 C ATOM 0 H PHE A 35 -6.431 -0.751 -5.486 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.396 -1.324 -3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.989 -3.183 -5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.382 -2.078 -6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.990 -1.486 -6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.484 -4.234 -3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.324 -2.243 -5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.169 -4.988 -2.991 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.735 -3.999 -4.236 1.00 0.00 H new ATOM 555 N ILE A 36 -3.106 0.631 -3.934 1.00 0.00 N ATOM 556 CA ILE A 36 -2.313 1.840 -4.298 1.00 0.00 C ATOM 557 C ILE A 36 -0.854 1.635 -3.878 1.00 0.00 C ATOM 558 O ILE A 36 -0.561 0.855 -2.995 1.00 0.00 O ATOM 559 CB ILE A 36 -2.928 3.001 -3.509 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.403 3.166 -3.885 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.173 4.292 -3.838 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.999 4.364 -3.131 1.00 0.00 C ATOM 0 H ILE A 36 -2.968 0.295 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.333 2.034 -5.370 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.852 2.790 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.499 3.316 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.955 2.259 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.608 5.120 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.124 4.180 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.249 4.496 -4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.049 4.478 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.917 4.195 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.455 5.270 -3.399 1.00 0.00 H new ATOM 574 N VAL A 37 0.058 2.331 -4.497 1.00 0.00 N ATOM 575 CA VAL A 37 1.495 2.185 -4.125 1.00 0.00 C ATOM 576 C VAL A 37 2.231 3.499 -4.376 1.00 0.00 C ATOM 577 O VAL A 37 1.916 4.227 -5.298 1.00 0.00 O ATOM 578 CB VAL A 37 2.055 1.087 -5.031 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.508 0.805 -4.638 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.232 -0.194 -4.871 1.00 0.00 C ATOM 0 H VAL A 37 -0.129 2.997 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 37 1.616 1.933 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 37 2.006 1.417 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.913 0.023 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.099 1.713 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.547 0.478 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.638 -0.970 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.276 -0.528 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.196 0.003 -5.145 1.00 0.00 H new ATOM 590 N ARG A 38 3.211 3.809 -3.573 1.00 0.00 N ATOM 591 CA ARG A 38 3.963 5.082 -3.784 1.00 0.00 C ATOM 592 C ARG A 38 5.380 4.970 -3.214 1.00 0.00 C ATOM 593 O ARG A 38 5.687 4.075 -2.451 1.00 0.00 O ATOM 594 CB ARG A 38 3.162 6.150 -3.034 1.00 0.00 C ATOM 595 CG ARG A 38 3.078 5.788 -1.547 1.00 0.00 C ATOM 596 CD ARG A 38 4.221 6.468 -0.791 1.00 0.00 C ATOM 597 NE ARG A 38 3.612 6.940 0.483 1.00 0.00 N ATOM 598 CZ ARG A 38 4.305 6.912 1.587 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.451 7.533 1.655 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.853 6.262 2.625 1.00 0.00 N ATOM 0 H ARG A 38 3.523 3.242 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 38 4.070 5.322 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.636 7.124 -3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.160 6.229 -3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.118 6.105 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.137 4.707 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.039 5.773 -0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.634 7.299 -1.363 1.00 0.00 H new ATOM 0 HE ARG A 38 2.652 7.285 0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.805 8.041 0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.993 7.511 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.958 5.776 2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.395 6.240 3.489 1.00 0.00 H new ATOM 614 N ASP A 39 6.244 5.877 -3.586 1.00 0.00 N ATOM 615 CA ASP A 39 7.646 5.835 -3.074 1.00 0.00 C ATOM 616 C ASP A 39 7.713 6.408 -1.655 1.00 0.00 C ATOM 617 O ASP A 39 6.862 7.173 -1.244 1.00 0.00 O ATOM 618 CB ASP A 39 8.446 6.705 -4.043 1.00 0.00 C ATOM 619 CG ASP A 39 9.940 6.556 -3.748 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.360 6.991 -2.689 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.637 6.008 -4.586 1.00 0.00 O ATOM 0 H ASP A 39 6.039 6.647 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 39 8.035 4.818 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.236 6.410 -5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.147 7.748 -3.943 1.00 0.00 H new ATOM 626 N SER A 40 8.719 6.043 -0.904 1.00 0.00 N ATOM 627 CA SER A 40 8.843 6.564 0.491 1.00 0.00 C ATOM 628 C SER A 40 9.875 7.697 0.549 1.00 0.00 C ATOM 629 O SER A 40 10.091 8.399 -0.421 1.00 0.00 O ATOM 630 CB SER A 40 9.309 5.366 1.316 1.00 0.00 C ATOM 631 OG SER A 40 9.401 5.745 2.683 1.00 0.00 O ATOM 0 H SER A 40 9.461 5.406 -1.196 1.00 0.00 H new ATOM 0 HA SER A 40 7.906 6.977 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.610 4.538 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.277 5.017 0.957 1.00 0.00 H new ATOM 0 HG SER A 40 10.199 5.339 3.082 1.00 0.00 H new ATOM 637 N SER A 41 10.512 7.884 1.677 1.00 0.00 N ATOM 638 CA SER A 41 11.526 8.974 1.793 1.00 0.00 C ATOM 639 C SER A 41 12.690 8.529 2.684 1.00 0.00 C ATOM 640 O SER A 41 13.835 8.548 2.278 1.00 0.00 O ATOM 641 CB SER A 41 10.778 10.143 2.434 1.00 0.00 C ATOM 642 OG SER A 41 11.710 11.155 2.794 1.00 0.00 O ATOM 0 H SER A 41 10.374 7.329 2.522 1.00 0.00 H new ATOM 0 HA SER A 41 11.954 9.242 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.040 10.543 1.739 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.234 9.803 3.315 1.00 0.00 H new ATOM 0 HG SER A 41 11.234 11.907 3.204 1.00 0.00 H new ATOM 648 N LYS A 42 12.406 8.130 3.897 1.00 0.00 N ATOM 649 CA LYS A 42 13.498 7.685 4.816 1.00 0.00 C ATOM 650 C LYS A 42 14.337 6.589 4.153 1.00 0.00 C ATOM 651 O LYS A 42 15.498 6.781 3.849 1.00 0.00 O ATOM 652 CB LYS A 42 12.779 7.135 6.049 1.00 0.00 C ATOM 653 CG LYS A 42 12.188 8.293 6.855 1.00 0.00 C ATOM 654 CD LYS A 42 11.234 7.743 7.917 1.00 0.00 C ATOM 655 CE LYS A 42 12.038 7.010 8.994 1.00 0.00 C ATOM 656 NZ LYS A 42 12.631 8.090 9.831 1.00 0.00 N ATOM 0 H LYS A 42 11.466 8.093 4.291 1.00 0.00 H new ATOM 0 HA LYS A 42 14.180 8.497 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.989 6.448 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.475 6.567 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.986 8.864 7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.657 8.977 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.663 8.556 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.515 7.064 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.399 6.356 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.812 6.383 8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.663 7.967 9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.411 9.015 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.234 8.043 10.791 1.00 0.00 H new ATOM 670 N ALA A 43 13.752 5.447 3.920 1.00 0.00 N ATOM 671 CA ALA A 43 14.506 4.335 3.268 1.00 0.00 C ATOM 672 C ALA A 43 14.350 4.411 1.752 1.00 0.00 C ATOM 673 O ALA A 43 15.049 3.745 1.013 1.00 0.00 O ATOM 674 CB ALA A 43 13.850 3.052 3.781 1.00 0.00 C ATOM 0 H ALA A 43 12.782 5.234 4.153 1.00 0.00 H new ATOM 0 HA ALA A 43 15.571 4.381 3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.351 2.188 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.933 3.010 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.798 3.043 3.497 1.00 0.00 H new ATOM 680 N GLY A 44 13.411 5.185 1.286 1.00 0.00 N ATOM 681 CA GLY A 44 13.185 5.261 -0.180 1.00 0.00 C ATOM 682 C GLY A 44 12.552 3.941 -0.611 1.00 0.00 C ATOM 683 O GLY A 44 12.744 3.473 -1.716 1.00 0.00 O ATOM 0 H GLY A 44 12.794 5.765 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.532 6.098 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.126 5.426 -0.706 1.00 0.00 H new ATOM 687 N LYS A 45 11.805 3.331 0.275 1.00 0.00 N ATOM 688 CA LYS A 45 11.161 2.032 -0.049 1.00 0.00 C ATOM 689 C LYS A 45 9.786 2.270 -0.679 1.00 0.00 C ATOM 690 O LYS A 45 9.407 3.392 -0.957 1.00 0.00 O ATOM 691 CB LYS A 45 11.019 1.313 1.295 1.00 0.00 C ATOM 692 CG LYS A 45 10.107 2.119 2.229 1.00 0.00 C ATOM 693 CD LYS A 45 10.916 2.637 3.419 1.00 0.00 C ATOM 694 CE LYS A 45 9.969 2.985 4.570 1.00 0.00 C ATOM 695 NZ LYS A 45 10.026 1.808 5.482 1.00 0.00 N ATOM 0 H LYS A 45 11.616 3.683 1.213 1.00 0.00 H new ATOM 0 HA LYS A 45 11.742 1.448 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.606 0.316 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.000 1.184 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.663 2.954 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.286 1.494 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.633 1.882 3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.489 3.517 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.284 3.895 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.955 3.157 4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.402 1.970 6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.714 0.958 4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.002 1.673 5.815 1.00 0.00 H new ATOM 709 N TYR A 46 9.040 1.226 -0.911 1.00 0.00 N ATOM 710 CA TYR A 46 7.693 1.394 -1.529 1.00 0.00 C ATOM 711 C TYR A 46 6.593 1.108 -0.499 1.00 0.00 C ATOM 712 O TYR A 46 6.807 0.402 0.468 1.00 0.00 O ATOM 713 CB TYR A 46 7.655 0.357 -2.652 1.00 0.00 C ATOM 714 CG TYR A 46 8.599 0.761 -3.765 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.981 0.840 -3.532 1.00 0.00 C ATOM 716 CD2 TYR A 46 8.090 1.056 -5.035 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.846 1.213 -4.567 1.00 0.00 C ATOM 718 CE2 TYR A 46 8.956 1.429 -6.069 1.00 0.00 C ATOM 719 CZ TYR A 46 10.334 1.508 -5.835 1.00 0.00 C ATOM 720 OH TYR A 46 11.187 1.878 -6.855 1.00 0.00 O ATOM 0 H TYR A 46 9.304 0.264 -0.700 1.00 0.00 H new ATOM 0 HA TYR A 46 7.526 2.408 -1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.936 -0.622 -2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.640 0.267 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.377 0.613 -2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.027 0.996 -5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.909 1.273 -4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.561 1.656 -7.048 1.00 0.00 H new ATOM 0 HH TYR A 46 10.669 2.047 -7.670 1.00 0.00 H new ATOM 730 N THR A 47 5.414 1.635 -0.708 1.00 0.00 N ATOM 731 CA THR A 47 4.295 1.377 0.250 1.00 0.00 C ATOM 732 C THR A 47 3.035 1.008 -0.529 1.00 0.00 C ATOM 733 O THR A 47 2.597 1.743 -1.393 1.00 0.00 O ATOM 734 CB THR A 47 4.083 2.687 1.019 1.00 0.00 C ATOM 735 OG1 THR A 47 5.274 3.022 1.715 1.00 0.00 O ATOM 736 CG2 THR A 47 2.930 2.515 2.023 1.00 0.00 C ATOM 0 H THR A 47 5.177 2.233 -1.500 1.00 0.00 H new ATOM 0 HA THR A 47 4.520 0.555 0.930 1.00 0.00 H new ATOM 0 HB THR A 47 3.834 3.484 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.141 3.860 2.206 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.781 3.447 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.016 2.258 1.487 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.175 1.718 2.726 1.00 0.00 H new ATOM 744 N VAL A 48 2.459 -0.127 -0.235 1.00 0.00 N ATOM 745 CA VAL A 48 1.227 -0.553 -0.967 1.00 0.00 C ATOM 746 C VAL A 48 -0.020 -0.322 -0.101 1.00 0.00 C ATOM 747 O VAL A 48 -0.211 -0.962 0.911 1.00 0.00 O ATOM 748 CB VAL A 48 1.440 -2.045 -1.243 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.117 -2.699 -1.649 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.455 -2.210 -2.377 1.00 0.00 C ATOM 0 H VAL A 48 2.786 -0.778 0.479 1.00 0.00 H new ATOM 0 HA VAL A 48 1.068 0.013 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 48 1.813 -2.526 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.280 -3.759 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.608 -2.585 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.264 -2.220 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.609 -3.271 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.078 -1.723 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.402 -1.754 -2.087 1.00 0.00 H new ATOM 760 N SER A 49 -0.869 0.587 -0.503 1.00 0.00 N ATOM 761 CA SER A 49 -2.107 0.869 0.285 1.00 0.00 C ATOM 762 C SER A 49 -3.310 0.139 -0.317 1.00 0.00 C ATOM 763 O SER A 49 -3.690 0.387 -1.444 1.00 0.00 O ATOM 764 CB SER A 49 -2.302 2.379 0.169 1.00 0.00 C ATOM 765 OG SER A 49 -1.671 3.022 1.269 1.00 0.00 O ATOM 0 H SER A 49 -0.758 1.149 -1.347 1.00 0.00 H new ATOM 0 HA SER A 49 -2.019 0.534 1.318 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.880 2.740 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.365 2.620 0.154 1.00 0.00 H new ATOM 0 HG SER A 49 -2.199 2.873 2.081 1.00 0.00 H new ATOM 771 N VAL A 50 -3.922 -0.753 0.422 1.00 0.00 N ATOM 772 CA VAL A 50 -5.106 -1.477 -0.133 1.00 0.00 C ATOM 773 C VAL A 50 -6.285 -1.407 0.846 1.00 0.00 C ATOM 774 O VAL A 50 -6.107 -1.539 2.043 1.00 0.00 O ATOM 775 CB VAL A 50 -4.646 -2.928 -0.333 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.343 -2.953 -1.135 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.409 -3.596 1.026 1.00 0.00 C ATOM 0 H VAL A 50 -3.657 -1.009 1.373 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.450 -1.035 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.422 -3.469 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.021 -3.985 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.506 -2.489 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.573 -2.402 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.083 -4.625 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.640 -3.049 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.335 -3.590 1.601 1.00 0.00 H new ATOM 787 N PHE A 51 -7.488 -1.191 0.361 1.00 0.00 N ATOM 788 CA PHE A 51 -8.649 -1.113 1.306 1.00 0.00 C ATOM 789 C PHE A 51 -9.802 -2.017 0.853 1.00 0.00 C ATOM 790 O PHE A 51 -9.994 -2.240 -0.322 1.00 0.00 O ATOM 791 CB PHE A 51 -9.059 0.368 1.287 1.00 0.00 C ATOM 792 CG PHE A 51 -10.568 0.530 1.211 1.00 0.00 C ATOM 793 CD1 PHE A 51 -11.253 0.230 0.026 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.276 0.988 2.326 1.00 0.00 C ATOM 795 CE1 PHE A 51 -12.642 0.386 -0.039 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.663 1.145 2.260 1.00 0.00 C ATOM 797 CZ PHE A 51 -13.346 0.844 1.079 1.00 0.00 C ATOM 0 H PHE A 51 -7.713 -1.068 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.389 -1.457 2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.684 0.861 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.596 0.863 0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.708 -0.122 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.750 1.221 3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -13.170 0.153 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.207 1.499 3.123 1.00 0.00 H new ATOM 0 HZ PHE A 51 -14.418 0.965 1.030 1.00 0.00 H new ATOM 807 N ALA A 52 -10.588 -2.512 1.782 1.00 0.00 N ATOM 808 CA ALA A 52 -11.750 -3.376 1.397 1.00 0.00 C ATOM 809 C ALA A 52 -12.908 -3.233 2.386 1.00 0.00 C ATOM 810 O ALA A 52 -12.745 -2.766 3.489 1.00 0.00 O ATOM 811 CB ALA A 52 -11.238 -4.809 1.405 1.00 0.00 C ATOM 0 H ALA A 52 -10.476 -2.356 2.784 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.132 -3.084 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.047 -5.486 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.423 -4.908 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.877 -5.061 2.402 1.00 0.00 H new ATOM 817 N LYS A 53 -14.081 -3.642 1.985 1.00 0.00 N ATOM 818 CA LYS A 53 -15.268 -3.539 2.884 1.00 0.00 C ATOM 819 C LYS A 53 -15.704 -4.932 3.355 1.00 0.00 C ATOM 820 O LYS A 53 -16.862 -5.292 3.260 1.00 0.00 O ATOM 821 CB LYS A 53 -16.346 -2.913 2.004 1.00 0.00 C ATOM 822 CG LYS A 53 -15.975 -1.459 1.703 1.00 0.00 C ATOM 823 CD LYS A 53 -17.228 -0.583 1.774 1.00 0.00 C ATOM 824 CE LYS A 53 -16.816 0.890 1.806 1.00 0.00 C ATOM 825 NZ LYS A 53 -18.001 1.616 2.345 1.00 0.00 N ATOM 0 H LYS A 53 -14.270 -4.046 1.068 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.067 -2.955 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.444 -3.475 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.312 -2.957 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.232 -1.107 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.524 -1.386 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.868 -0.774 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.808 -0.829 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.941 1.040 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.555 1.247 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.973 2.607 2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.872 1.167 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.986 1.581 3.384 1.00 0.00 H new ATOM 839 N SER A 54 -14.791 -5.722 3.862 1.00 0.00 N ATOM 840 CA SER A 54 -15.164 -7.091 4.333 1.00 0.00 C ATOM 841 C SER A 54 -14.119 -7.627 5.318 1.00 0.00 C ATOM 842 O SER A 54 -13.445 -8.604 5.054 1.00 0.00 O ATOM 843 CB SER A 54 -15.197 -7.947 3.068 1.00 0.00 C ATOM 844 OG SER A 54 -13.951 -7.834 2.391 1.00 0.00 O ATOM 0 H SER A 54 -13.806 -5.479 3.970 1.00 0.00 H new ATOM 0 HA SER A 54 -16.119 -7.097 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.391 -8.988 3.325 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.009 -7.623 2.417 1.00 0.00 H new ATOM 0 HG SER A 54 -13.238 -8.199 2.955 1.00 0.00 H new ATOM 850 N THR A 55 -13.985 -6.996 6.455 1.00 0.00 N ATOM 851 CA THR A 55 -12.990 -7.461 7.472 1.00 0.00 C ATOM 852 C THR A 55 -13.289 -6.770 8.806 1.00 0.00 C ATOM 853 O THR A 55 -14.434 -6.520 9.125 1.00 0.00 O ATOM 854 CB THR A 55 -11.615 -7.041 6.940 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.680 -6.800 5.540 1.00 0.00 O ATOM 856 CG2 THR A 55 -10.600 -8.151 7.218 1.00 0.00 C ATOM 0 H THR A 55 -14.524 -6.174 6.726 1.00 0.00 H new ATOM 0 HA THR A 55 -13.028 -8.538 7.634 1.00 0.00 H new ATOM 0 HB THR A 55 -11.307 -6.124 7.443 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.796 -6.531 5.213 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.622 -7.853 6.840 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.536 -8.325 8.292 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.917 -9.067 6.720 1.00 0.00 H new ATOM 864 N GLY A 56 -12.281 -6.439 9.583 1.00 0.00 N ATOM 865 CA GLY A 56 -12.544 -5.738 10.877 1.00 0.00 C ATOM 866 C GLY A 56 -13.484 -4.562 10.601 1.00 0.00 C ATOM 867 O GLY A 56 -14.303 -4.191 11.419 1.00 0.00 O ATOM 0 H GLY A 56 -11.299 -6.623 9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.993 -6.423 11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.610 -5.384 11.314 1.00 0.00 H new ATOM 871 N ASP A 57 -13.379 -4.000 9.426 1.00 0.00 N ATOM 872 CA ASP A 57 -14.260 -2.875 9.032 1.00 0.00 C ATOM 873 C ASP A 57 -15.097 -3.314 7.821 1.00 0.00 C ATOM 874 O ASP A 57 -14.751 -3.026 6.695 1.00 0.00 O ATOM 875 CB ASP A 57 -13.301 -1.756 8.645 1.00 0.00 C ATOM 876 CG ASP A 57 -13.862 -0.412 9.112 1.00 0.00 C ATOM 877 OD1 ASP A 57 -14.704 0.132 8.416 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.441 0.052 10.159 1.00 0.00 O ATOM 0 H ASP A 57 -12.706 -4.282 8.714 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.947 -2.561 9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.324 -1.929 9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.157 -1.745 7.565 1.00 0.00 H new ATOM 883 N PRO A 58 -16.165 -4.022 8.087 1.00 0.00 N ATOM 884 CA PRO A 58 -17.037 -4.534 7.001 1.00 0.00 C ATOM 885 C PRO A 58 -17.461 -3.435 6.028 1.00 0.00 C ATOM 886 O PRO A 58 -17.849 -3.704 4.908 1.00 0.00 O ATOM 887 CB PRO A 58 -18.238 -5.077 7.774 1.00 0.00 C ATOM 888 CG PRO A 58 -17.988 -4.886 9.280 1.00 0.00 C ATOM 889 CD PRO A 58 -16.574 -4.330 9.476 1.00 0.00 C ATOM 0 HA PRO A 58 -16.540 -5.274 6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.147 -4.556 7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.386 -6.133 7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.725 -4.202 9.702 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.097 -5.835 9.805 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.569 -3.442 10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.911 -5.058 9.944 1.00 0.00 H new ATOM 897 N GLN A 59 -17.411 -2.208 6.445 1.00 0.00 N ATOM 898 CA GLN A 59 -17.837 -1.103 5.537 1.00 0.00 C ATOM 899 C GLN A 59 -16.648 -0.247 5.090 1.00 0.00 C ATOM 900 O GLN A 59 -16.830 0.806 4.511 1.00 0.00 O ATOM 901 CB GLN A 59 -18.822 -0.266 6.356 1.00 0.00 C ATOM 902 CG GLN A 59 -18.218 0.037 7.727 1.00 0.00 C ATOM 903 CD GLN A 59 -18.775 1.361 8.254 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.127 2.234 7.486 1.00 0.00 O ATOM 905 NE2 GLN A 59 -18.873 1.547 9.542 1.00 0.00 N ATOM 0 H GLN A 59 -17.096 -1.917 7.370 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.285 -1.495 4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.048 0.663 5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.763 -0.803 6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.449 -0.769 8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.132 0.092 7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.578 0.814 10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.245 2.425 9.904 1.00 0.00 H new ATOM 914 N GLY A 60 -15.437 -0.677 5.331 1.00 0.00 N ATOM 915 CA GLY A 60 -14.279 0.141 4.886 1.00 0.00 C ATOM 916 C GLY A 60 -12.996 -0.275 5.609 1.00 0.00 C ATOM 917 O GLY A 60 -12.739 0.138 6.723 1.00 0.00 O ATOM 0 H GLY A 60 -15.205 -1.547 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.145 0.031 3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.481 1.195 5.076 1.00 0.00 H new ATOM 921 N VAL A 61 -12.180 -1.072 4.973 1.00 0.00 N ATOM 922 CA VAL A 61 -10.900 -1.513 5.607 1.00 0.00 C ATOM 923 C VAL A 61 -9.717 -0.966 4.830 1.00 0.00 C ATOM 924 O VAL A 61 -9.787 -0.764 3.641 1.00 0.00 O ATOM 925 CB VAL A 61 -10.893 -3.040 5.514 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.661 -3.593 6.230 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.155 -3.612 6.148 1.00 0.00 C ATOM 0 H VAL A 61 -12.345 -1.440 4.036 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.826 -1.160 6.635 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.863 -3.330 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.659 -4.681 6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.760 -3.198 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.685 -3.295 7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.138 -4.699 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.200 -3.319 7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.031 -3.227 5.626 1.00 0.00 H new ATOM 937 N ILE A 62 -8.631 -0.717 5.503 1.00 0.00 N ATOM 938 CA ILE A 62 -7.430 -0.172 4.811 1.00 0.00 C ATOM 939 C ILE A 62 -6.147 -0.724 5.438 1.00 0.00 C ATOM 940 O ILE A 62 -6.115 -1.090 6.596 1.00 0.00 O ATOM 941 CB ILE A 62 -7.502 1.346 5.004 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.926 1.741 5.428 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.130 2.030 3.685 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.072 3.255 5.487 1.00 0.00 C ATOM 0 H ILE A 62 -8.522 -0.868 6.506 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.414 -0.451 3.757 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.806 1.660 5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.648 1.329 4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.152 1.311 6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.178 3.112 3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.119 1.742 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.829 1.724 2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.088 3.511 5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.365 3.661 6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.868 3.679 4.504 1.00 0.00 H new ATOM 956 N ARG A 63 -5.088 -0.775 4.676 1.00 0.00 N ATOM 957 CA ARG A 63 -3.796 -1.292 5.212 1.00 0.00 C ATOM 958 C ARG A 63 -2.666 -0.968 4.232 1.00 0.00 C ATOM 959 O ARG A 63 -2.682 -1.396 3.093 1.00 0.00 O ATOM 960 CB ARG A 63 -3.991 -2.804 5.330 1.00 0.00 C ATOM 961 CG ARG A 63 -3.251 -3.319 6.566 1.00 0.00 C ATOM 962 CD ARG A 63 -3.822 -4.679 6.976 1.00 0.00 C ATOM 963 NE ARG A 63 -2.642 -5.482 7.400 1.00 0.00 N ATOM 964 CZ ARG A 63 -2.754 -6.773 7.559 1.00 0.00 C ATOM 965 NH1 ARG A 63 -3.640 -7.254 8.389 1.00 0.00 N ATOM 966 NH2 ARG A 63 -1.982 -7.582 6.889 1.00 0.00 N ATOM 0 H ARG A 63 -5.062 -0.479 3.700 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.531 -0.845 6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.053 -3.040 5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.616 -3.301 4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.186 -3.410 6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.353 -2.608 7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.541 -4.576 7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.345 -5.154 6.146 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.746 -5.023 7.566 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.244 -6.621 8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.728 -8.263 8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.290 -7.206 6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.070 -8.591 7.013 1.00 0.00 H new ATOM 980 N HIS A 64 -1.688 -0.209 4.656 1.00 0.00 N ATOM 981 CA HIS A 64 -0.569 0.141 3.730 1.00 0.00 C ATOM 982 C HIS A 64 0.620 -0.787 3.951 1.00 0.00 C ATOM 983 O HIS A 64 1.354 -0.657 4.911 1.00 0.00 O ATOM 984 CB HIS A 64 -0.170 1.589 4.050 1.00 0.00 C ATOM 985 CG HIS A 64 -1.394 2.392 4.398 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.531 2.381 3.607 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.676 3.225 5.450 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.437 3.181 4.190 1.00 0.00 C ATOM 989 NE2 HIS A 64 -2.969 3.723 5.318 1.00 0.00 N ATOM 0 H HIS A 64 -1.616 0.181 5.596 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.880 0.034 2.691 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.535 1.606 4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.336 2.034 3.193 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.998 3.459 6.258 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.425 3.365 3.795 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.454 4.363 5.946 1.00 0.00 H new ATOM 997 N TYR A 65 0.830 -1.706 3.052 1.00 0.00 N ATOM 998 CA TYR A 65 1.989 -2.626 3.185 1.00 0.00 C ATOM 999 C TYR A 65 3.227 -1.887 2.710 1.00 0.00 C ATOM 1000 O TYR A 65 3.275 -1.393 1.606 1.00 0.00 O ATOM 1001 CB TYR A 65 1.698 -3.798 2.259 1.00 0.00 C ATOM 1002 CG TYR A 65 0.261 -4.254 2.422 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.325 -4.293 3.695 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.479 -4.642 1.300 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.649 -4.718 3.842 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.803 -5.069 1.448 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.389 -5.108 2.720 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.694 -5.530 2.867 1.00 0.00 O ATOM 0 H TYR A 65 0.247 -1.859 2.229 1.00 0.00 H new ATOM 0 HA TYR A 65 2.147 -2.966 4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.879 -3.506 1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.376 -4.622 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.246 -3.995 4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.028 -4.612 0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.101 -4.745 4.822 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.374 -5.369 0.581 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.904 -6.192 2.175 1.00 0.00 H new ATOM 1018 N VAL A 66 4.219 -1.786 3.531 1.00 0.00 N ATOM 1019 CA VAL A 66 5.437 -1.044 3.110 1.00 0.00 C ATOM 1020 C VAL A 66 6.630 -1.985 2.994 1.00 0.00 C ATOM 1021 O VAL A 66 6.574 -3.131 3.392 1.00 0.00 O ATOM 1022 CB VAL A 66 5.679 -0.010 4.213 1.00 0.00 C ATOM 1023 CG1 VAL A 66 6.817 0.924 3.799 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.405 0.811 4.439 1.00 0.00 C ATOM 0 H VAL A 66 4.247 -2.180 4.471 1.00 0.00 H new ATOM 0 HA VAL A 66 5.309 -0.579 2.133 1.00 0.00 H new ATOM 0 HB VAL A 66 5.947 -0.525 5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.988 1.660 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.726 0.343 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.549 1.436 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.580 1.546 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.134 1.324 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.593 0.148 4.737 1.00 0.00 H new ATOM 1034 N VAL A 67 7.711 -1.504 2.451 1.00 0.00 N ATOM 1035 CA VAL A 67 8.913 -2.362 2.310 1.00 0.00 C ATOM 1036 C VAL A 67 10.047 -1.826 3.182 1.00 0.00 C ATOM 1037 O VAL A 67 10.443 -0.683 3.074 1.00 0.00 O ATOM 1038 CB VAL A 67 9.288 -2.280 0.833 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.570 -3.082 0.590 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.147 -2.854 -0.013 1.00 0.00 C ATOM 0 H VAL A 67 7.812 -0.552 2.099 1.00 0.00 H new ATOM 0 HA VAL A 67 8.727 -3.389 2.625 1.00 0.00 H new ATOM 0 HB VAL A 67 9.456 -1.240 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.840 -3.025 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.378 -2.669 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.406 -4.123 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.412 -2.797 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.978 -3.895 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.238 -2.279 0.164 1.00 0.00 H new ATOM 1050 N CYS A 68 10.579 -2.653 4.033 1.00 0.00 N ATOM 1051 CA CYS A 68 11.698 -2.209 4.904 1.00 0.00 C ATOM 1052 C CYS A 68 13.022 -2.582 4.243 1.00 0.00 C ATOM 1053 O CYS A 68 13.189 -3.677 3.746 1.00 0.00 O ATOM 1054 CB CYS A 68 11.509 -2.967 6.218 1.00 0.00 C ATOM 1055 SG CYS A 68 12.792 -2.470 7.394 1.00 0.00 S ATOM 0 H CYS A 68 10.286 -3.621 4.164 1.00 0.00 H new ATOM 0 HA CYS A 68 11.707 -1.132 5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.522 -2.759 6.631 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.560 -4.041 6.041 1.00 0.00 H new ATOM 0 HG CYS A 68 13.456 -3.519 7.781 1.00 0.00 H new ATOM 1061 N SER A 69 13.954 -1.674 4.214 1.00 0.00 N ATOM 1062 CA SER A 69 15.259 -1.969 3.563 1.00 0.00 C ATOM 1063 C SER A 69 16.398 -1.957 4.580 1.00 0.00 C ATOM 1064 O SER A 69 16.493 -1.081 5.418 1.00 0.00 O ATOM 1065 CB SER A 69 15.446 -0.853 2.539 1.00 0.00 C ATOM 1066 OG SER A 69 15.200 0.401 3.160 1.00 0.00 O ATOM 0 H SER A 69 13.869 -0.739 4.613 1.00 0.00 H new ATOM 0 HA SER A 69 15.268 -2.959 3.106 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.458 -0.880 2.136 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.765 -0.996 1.700 1.00 0.00 H new ATOM 0 HG SER A 69 15.547 0.386 4.077 1.00 0.00 H new ATOM 1072 N THR A 70 17.272 -2.918 4.492 1.00 0.00 N ATOM 1073 CA THR A 70 18.431 -2.974 5.429 1.00 0.00 C ATOM 1074 C THR A 70 19.670 -2.405 4.719 1.00 0.00 C ATOM 1075 O THR A 70 19.708 -2.365 3.506 1.00 0.00 O ATOM 1076 CB THR A 70 18.594 -4.464 5.763 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.604 -4.630 6.746 1.00 0.00 O ATOM 1078 CG2 THR A 70 18.977 -5.243 4.508 1.00 0.00 C ATOM 0 H THR A 70 17.235 -3.673 3.807 1.00 0.00 H new ATOM 0 HA THR A 70 18.290 -2.388 6.337 1.00 0.00 H new ATOM 0 HB THR A 70 17.647 -4.843 6.147 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.472 -4.750 6.307 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.090 -6.299 4.755 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.196 -5.128 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.919 -4.859 4.115 1.00 0.00 H new ATOM 1086 N PRO A 71 20.639 -1.954 5.484 1.00 0.00 N ATOM 1087 CA PRO A 71 21.859 -1.356 4.885 1.00 0.00 C ATOM 1088 C PRO A 71 22.643 -2.343 4.012 1.00 0.00 C ATOM 1089 O PRO A 71 23.646 -1.985 3.425 1.00 0.00 O ATOM 1090 CB PRO A 71 22.668 -0.931 6.113 1.00 0.00 C ATOM 1091 CG PRO A 71 21.874 -1.300 7.380 1.00 0.00 C ATOM 1092 CD PRO A 71 20.574 -2.002 6.965 1.00 0.00 C ATOM 0 HA PRO A 71 21.626 -0.536 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 71 23.638 -1.428 6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.860 0.142 6.086 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.467 -1.953 8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.650 -0.404 7.959 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.530 -3.026 7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 71 19.694 -1.486 7.349 1.00 0.00 H new ATOM 1100 N GLN A 72 22.199 -3.562 3.889 1.00 0.00 N ATOM 1101 CA GLN A 72 22.932 -4.522 3.018 1.00 0.00 C ATOM 1102 C GLN A 72 22.319 -4.483 1.610 1.00 0.00 C ATOM 1103 O GLN A 72 22.379 -5.437 0.864 1.00 0.00 O ATOM 1104 CB GLN A 72 22.727 -5.884 3.688 1.00 0.00 C ATOM 1105 CG GLN A 72 23.443 -6.979 2.896 1.00 0.00 C ATOM 1106 CD GLN A 72 24.881 -7.117 3.399 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.730 -6.310 3.078 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.194 -8.114 4.181 1.00 0.00 N ATOM 0 H GLN A 72 21.368 -3.933 4.349 1.00 0.00 H new ATOM 0 HA GLN A 72 23.993 -4.295 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.108 -5.856 4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.662 -6.109 3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.915 -7.926 3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.440 -6.735 1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.482 -8.793 4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.150 -8.214 4.521 1.00 0.00 H new ATOM 1117 N SER A 73 21.720 -3.370 1.244 1.00 0.00 N ATOM 1118 CA SER A 73 21.087 -3.257 -0.106 1.00 0.00 C ATOM 1119 C SER A 73 19.996 -4.317 -0.238 1.00 0.00 C ATOM 1120 O SER A 73 19.925 -5.035 -1.216 1.00 0.00 O ATOM 1121 CB SER A 73 22.215 -3.504 -1.111 1.00 0.00 C ATOM 1122 OG SER A 73 22.300 -2.399 -2.002 1.00 0.00 O ATOM 0 H SER A 73 21.644 -2.536 1.826 1.00 0.00 H new ATOM 0 HA SER A 73 20.622 -2.285 -0.273 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.162 -3.637 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.027 -4.422 -1.668 1.00 0.00 H new ATOM 0 HG SER A 73 23.022 -2.553 -2.646 1.00 0.00 H new ATOM 1128 N GLN A 74 19.158 -4.435 0.760 1.00 0.00 N ATOM 1129 CA GLN A 74 18.084 -5.469 0.715 1.00 0.00 C ATOM 1130 C GLN A 74 16.736 -4.864 1.130 1.00 0.00 C ATOM 1131 O GLN A 74 16.668 -3.746 1.599 1.00 0.00 O ATOM 1132 CB GLN A 74 18.529 -6.547 1.709 1.00 0.00 C ATOM 1133 CG GLN A 74 20.051 -6.514 1.872 1.00 0.00 C ATOM 1134 CD GLN A 74 20.541 -7.862 2.407 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.562 -8.075 3.695 1.00 0.00 O flip ATOM 1136 NE2 GLN A 74 20.909 -8.732 1.644 1.00 0.00 N flip ATOM 0 H GLN A 74 19.172 -3.860 1.603 1.00 0.00 H new ATOM 0 HA GLN A 74 17.945 -5.874 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.048 -6.384 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.214 -7.530 1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.525 -6.298 0.914 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.336 -5.715 2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.893 -8.568 0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.234 -9.627 2.010 1.00 0.00 H new ATOM 1145 N TYR A 75 15.660 -5.589 0.934 1.00 0.00 N ATOM 1146 CA TYR A 75 14.304 -5.039 1.292 1.00 0.00 C ATOM 1147 C TYR A 75 13.362 -6.138 1.799 1.00 0.00 C ATOM 1148 O TYR A 75 13.560 -7.300 1.540 1.00 0.00 O ATOM 1149 CB TYR A 75 13.741 -4.459 -0.007 1.00 0.00 C ATOM 1150 CG TYR A 75 14.735 -3.510 -0.622 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.830 -4.012 -1.328 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.562 -2.133 -0.484 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.756 -3.138 -1.896 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.486 -1.255 -1.053 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.586 -1.756 -1.761 1.00 0.00 C ATOM 1156 OH TYR A 75 17.502 -0.887 -2.321 1.00 0.00 O ATOM 0 H TYR A 75 15.657 -6.532 0.545 1.00 0.00 H new ATOM 0 HA TYR A 75 14.390 -4.299 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.514 -5.264 -0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.805 -3.938 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.960 -5.079 -1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.714 -1.747 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.604 -3.528 -2.440 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.353 -0.188 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 75 17.233 0.037 -2.134 1.00 0.00 H new ATOM 1166 N TYR A 76 12.316 -5.758 2.495 1.00 0.00 N ATOM 1167 CA TYR A 76 11.329 -6.761 3.018 1.00 0.00 C ATOM 1168 C TYR A 76 10.241 -6.066 3.844 1.00 0.00 C ATOM 1169 O TYR A 76 10.441 -4.990 4.365 1.00 0.00 O ATOM 1170 CB TYR A 76 12.129 -7.699 3.940 1.00 0.00 C ATOM 1171 CG TYR A 76 12.767 -6.905 5.062 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.020 -6.594 6.204 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.106 -6.502 4.976 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.603 -5.882 7.254 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.691 -5.792 6.031 1.00 0.00 C ATOM 1176 CZ TYR A 76 13.941 -5.482 7.170 1.00 0.00 C ATOM 1177 OH TYR A 76 14.518 -4.781 8.209 1.00 0.00 O ATOM 0 H TYR A 76 12.101 -4.788 2.726 1.00 0.00 H new ATOM 0 HA TYR A 76 10.844 -7.292 2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.471 -8.464 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.898 -8.216 3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 76 10.988 -6.906 6.273 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.686 -6.739 4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.021 -5.640 8.131 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.724 -5.483 5.965 1.00 0.00 H new ATOM 0 HH TYR A 76 15.452 -4.581 7.990 1.00 0.00 H new ATOM 1187 N LEU A 77 9.121 -6.710 4.031 1.00 0.00 N ATOM 1188 CA LEU A 77 8.051 -6.122 4.893 1.00 0.00 C ATOM 1189 C LEU A 77 8.186 -6.796 6.263 1.00 0.00 C ATOM 1190 O LEU A 77 7.589 -6.404 7.247 1.00 0.00 O ATOM 1191 CB LEU A 77 6.725 -6.487 4.216 1.00 0.00 C ATOM 1192 CG LEU A 77 5.547 -6.132 5.135 1.00 0.00 C ATOM 1193 CD1 LEU A 77 5.500 -4.619 5.367 1.00 0.00 C ATOM 1194 CD2 LEU A 77 4.237 -6.577 4.479 1.00 0.00 C ATOM 0 H LEU A 77 8.899 -7.619 3.625 1.00 0.00 H new ATOM 0 HA LEU A 77 8.113 -5.041 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.632 -5.953 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.707 -7.552 3.984 1.00 0.00 H new ATOM 0 HG LEU A 77 5.677 -6.641 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.661 -4.377 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.429 -4.294 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.376 -4.108 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.400 -6.326 5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.118 -6.068 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.259 -7.655 4.316 1.00 0.00 H new ATOM 1206 N ALA A 78 9.031 -7.791 6.302 1.00 0.00 N ATOM 1207 CA ALA A 78 9.341 -8.535 7.546 1.00 0.00 C ATOM 1208 C ALA A 78 10.765 -9.069 7.383 1.00 0.00 C ATOM 1209 O ALA A 78 11.058 -9.778 6.440 1.00 0.00 O ATOM 1210 CB ALA A 78 8.324 -9.676 7.611 1.00 0.00 C ATOM 0 H ALA A 78 9.538 -8.128 5.483 1.00 0.00 H new ATOM 0 HA ALA A 78 9.283 -7.938 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.498 -10.267 8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.315 -9.263 7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.433 -10.311 6.732 1.00 0.00 H new ATOM 1216 N GLU A 79 11.662 -8.708 8.261 1.00 0.00 N ATOM 1217 CA GLU A 79 13.083 -9.170 8.124 1.00 0.00 C ATOM 1218 C GLU A 79 13.154 -10.674 7.852 1.00 0.00 C ATOM 1219 O GLU A 79 14.152 -11.178 7.374 1.00 0.00 O ATOM 1220 CB GLU A 79 13.743 -8.837 9.461 1.00 0.00 C ATOM 1221 CG GLU A 79 14.324 -7.426 9.400 1.00 0.00 C ATOM 1222 CD GLU A 79 15.206 -7.181 10.626 1.00 0.00 C ATOM 1223 OE1 GLU A 79 14.767 -7.496 11.719 1.00 0.00 O ATOM 1224 OE2 GLU A 79 16.306 -6.684 10.448 1.00 0.00 O ATOM 0 H GLU A 79 11.477 -8.113 9.069 1.00 0.00 H new ATOM 0 HA GLU A 79 13.581 -8.684 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.013 -8.907 10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.531 -9.558 9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.908 -7.301 8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.519 -6.692 9.366 1.00 0.00 H new ATOM 1231 N LYS A 80 12.103 -11.385 8.148 1.00 0.00 N ATOM 1232 CA LYS A 80 12.085 -12.861 7.903 1.00 0.00 C ATOM 1233 C LYS A 80 12.700 -13.189 6.536 1.00 0.00 C ATOM 1234 O LYS A 80 13.417 -14.158 6.383 1.00 0.00 O ATOM 1235 CB LYS A 80 10.607 -13.241 7.917 1.00 0.00 C ATOM 1236 CG LYS A 80 10.231 -13.796 9.294 1.00 0.00 C ATOM 1237 CD LYS A 80 9.187 -14.901 9.130 1.00 0.00 C ATOM 1238 CE LYS A 80 7.785 -14.289 9.162 1.00 0.00 C ATOM 1239 NZ LYS A 80 6.876 -15.384 8.724 1.00 0.00 N ATOM 0 H LYS A 80 11.246 -11.007 8.553 1.00 0.00 H new ATOM 0 HA LYS A 80 12.663 -13.406 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.995 -12.369 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.405 -13.985 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.116 -14.189 9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.837 -12.999 9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.344 -15.427 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.292 -15.636 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.529 -13.940 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.715 -13.428 8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.895 -15.040 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.139 -15.691 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.959 -16.187 9.380 1.00 0.00 H new ATOM 1253 N HIS A 81 12.428 -12.379 5.548 1.00 0.00 N ATOM 1254 CA HIS A 81 12.997 -12.627 4.191 1.00 0.00 C ATOM 1255 C HIS A 81 13.120 -11.297 3.455 1.00 0.00 C ATOM 1256 O HIS A 81 12.248 -10.454 3.545 1.00 0.00 O ATOM 1257 CB HIS A 81 11.993 -13.539 3.487 1.00 0.00 C ATOM 1258 CG HIS A 81 11.915 -14.858 4.208 1.00 0.00 C ATOM 1259 ND1 HIS A 81 12.988 -15.732 4.268 1.00 0.00 N ATOM 1260 CD2 HIS A 81 10.897 -15.464 4.902 1.00 0.00 C ATOM 1261 CE1 HIS A 81 12.597 -16.807 4.977 1.00 0.00 C ATOM 1262 NE2 HIS A 81 11.331 -16.695 5.388 1.00 0.00 N ATOM 0 H HIS A 81 11.834 -11.553 5.623 1.00 0.00 H new ATOM 0 HA HIS A 81 13.986 -13.083 4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.011 -13.067 3.465 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.294 -13.697 2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.911 -15.050 5.049 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.230 -17.657 5.188 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.797 -17.367 5.939 1.00 0.00 H new ATOM 1270 N LEU A 82 14.193 -11.084 2.743 1.00 0.00 N ATOM 1271 CA LEU A 82 14.344 -9.789 2.037 1.00 0.00 C ATOM 1272 C LEU A 82 15.129 -9.961 0.732 1.00 0.00 C ATOM 1273 O LEU A 82 16.026 -10.776 0.634 1.00 0.00 O ATOM 1274 CB LEU A 82 15.097 -8.897 3.033 1.00 0.00 C ATOM 1275 CG LEU A 82 16.518 -9.412 3.241 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.353 -8.323 3.916 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.501 -10.659 4.133 1.00 0.00 C ATOM 0 H LEU A 82 14.961 -11.744 2.623 1.00 0.00 H new ATOM 0 HA LEU A 82 13.386 -9.359 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.126 -7.872 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.568 -8.878 3.986 1.00 0.00 H new ATOM 0 HG LEU A 82 16.950 -9.670 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.370 -8.685 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.374 -7.436 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.911 -8.070 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.520 -11.019 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.066 -10.408 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.904 -11.438 3.658 1.00 0.00 H new ATOM 1289 N PHE A 83 14.799 -9.188 -0.267 1.00 0.00 N ATOM 1290 CA PHE A 83 15.521 -9.286 -1.566 1.00 0.00 C ATOM 1291 C PHE A 83 16.221 -7.956 -1.860 1.00 0.00 C ATOM 1292 O PHE A 83 16.543 -7.215 -0.954 1.00 0.00 O ATOM 1293 CB PHE A 83 14.438 -9.595 -2.600 1.00 0.00 C ATOM 1294 CG PHE A 83 14.130 -11.073 -2.554 1.00 0.00 C ATOM 1295 CD1 PHE A 83 13.438 -11.608 -1.461 1.00 0.00 C ATOM 1296 CD2 PHE A 83 14.544 -11.908 -3.598 1.00 0.00 C ATOM 1297 CE1 PHE A 83 13.158 -12.980 -1.414 1.00 0.00 C ATOM 1298 CE2 PHE A 83 14.265 -13.280 -3.550 1.00 0.00 C ATOM 1299 CZ PHE A 83 13.572 -13.815 -2.459 1.00 0.00 C ATOM 0 H PHE A 83 14.056 -8.489 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 83 16.294 -10.055 -1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.539 -9.015 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.775 -9.310 -3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 83 13.120 -10.964 -0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.079 -11.495 -4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.623 -13.393 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 83 14.585 -13.925 -4.355 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.356 -14.873 -2.423 1.00 0.00 H new ATOM 1309 N SER A 84 16.480 -7.647 -3.104 1.00 0.00 N ATOM 1310 CA SER A 84 17.185 -6.366 -3.411 1.00 0.00 C ATOM 1311 C SER A 84 16.216 -5.290 -3.929 1.00 0.00 C ATOM 1312 O SER A 84 16.628 -4.193 -4.246 1.00 0.00 O ATOM 1313 CB SER A 84 18.203 -6.729 -4.490 1.00 0.00 C ATOM 1314 OG SER A 84 18.935 -7.877 -4.079 1.00 0.00 O ATOM 0 H SER A 84 16.237 -8.219 -3.913 1.00 0.00 H new ATOM 0 HA SER A 84 17.649 -5.945 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.695 -6.926 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.881 -5.893 -4.662 1.00 0.00 H new ATOM 0 HG SER A 84 19.588 -8.113 -4.770 1.00 0.00 H new ATOM 1320 N THR A 85 14.941 -5.579 -4.012 1.00 0.00 N ATOM 1321 CA THR A 85 13.969 -4.541 -4.498 1.00 0.00 C ATOM 1322 C THR A 85 12.528 -5.030 -4.311 1.00 0.00 C ATOM 1323 O THR A 85 12.285 -6.209 -4.126 1.00 0.00 O ATOM 1324 CB THR A 85 14.243 -4.351 -5.997 1.00 0.00 C ATOM 1325 OG1 THR A 85 15.617 -4.559 -6.287 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.845 -2.931 -6.407 1.00 0.00 C ATOM 0 H THR A 85 14.530 -6.480 -3.767 1.00 0.00 H new ATOM 0 HA THR A 85 14.089 -3.612 -3.941 1.00 0.00 H new ATOM 0 HB THR A 85 13.656 -5.080 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.163 -3.978 -5.717 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.038 -2.792 -7.471 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.784 -2.779 -6.208 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.429 -2.210 -5.835 1.00 0.00 H new ATOM 1334 N ILE A 86 11.565 -4.141 -4.381 1.00 0.00 N ATOM 1335 CA ILE A 86 10.144 -4.572 -4.229 1.00 0.00 C ATOM 1336 C ILE A 86 9.786 -5.646 -5.276 1.00 0.00 C ATOM 1337 O ILE A 86 9.293 -6.697 -4.918 1.00 0.00 O ATOM 1338 CB ILE A 86 9.316 -3.296 -4.430 1.00 0.00 C ATOM 1339 CG1 ILE A 86 8.982 -2.706 -3.063 1.00 0.00 C ATOM 1340 CG2 ILE A 86 8.009 -3.608 -5.169 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.187 -1.932 -2.529 1.00 0.00 C ATOM 0 H ILE A 86 11.703 -3.142 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 86 9.952 -5.024 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 86 9.895 -2.589 -5.024 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.119 -2.045 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.712 -3.502 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.437 -2.689 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.236 -4.037 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.423 -4.320 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.946 -1.512 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.039 -2.605 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.437 -1.126 -3.219 1.00 0.00 H new ATOM 1353 N PRO A 87 10.037 -5.364 -6.542 1.00 0.00 N ATOM 1354 CA PRO A 87 9.716 -6.347 -7.605 1.00 0.00 C ATOM 1355 C PRO A 87 10.388 -7.687 -7.305 1.00 0.00 C ATOM 1356 O PRO A 87 9.847 -8.740 -7.583 1.00 0.00 O ATOM 1357 CB PRO A 87 10.290 -5.689 -8.863 1.00 0.00 C ATOM 1358 CG PRO A 87 10.909 -4.334 -8.472 1.00 0.00 C ATOM 1359 CD PRO A 87 10.649 -4.084 -6.980 1.00 0.00 C ATOM 0 HA PRO A 87 8.653 -6.570 -7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.044 -6.333 -9.316 1.00 0.00 H new ATOM 0 HB3 PRO A 87 9.506 -5.546 -9.606 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.980 -4.336 -8.673 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.474 -3.534 -9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.570 -3.868 -6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.980 -3.239 -6.821 1.00 0.00 H new ATOM 1367 N GLU A 88 11.554 -7.657 -6.716 1.00 0.00 N ATOM 1368 CA GLU A 88 12.243 -8.932 -6.376 1.00 0.00 C ATOM 1369 C GLU A 88 11.435 -9.663 -5.302 1.00 0.00 C ATOM 1370 O GLU A 88 11.197 -10.849 -5.394 1.00 0.00 O ATOM 1371 CB GLU A 88 13.615 -8.524 -5.839 1.00 0.00 C ATOM 1372 CG GLU A 88 14.615 -9.654 -6.092 1.00 0.00 C ATOM 1373 CD GLU A 88 15.118 -9.580 -7.535 1.00 0.00 C ATOM 1374 OE1 GLU A 88 14.308 -9.324 -8.411 1.00 0.00 O ATOM 1375 OE2 GLU A 88 16.303 -9.778 -7.739 1.00 0.00 O ATOM 0 H GLU A 88 12.056 -6.808 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 88 12.340 -9.601 -7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.952 -7.609 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.552 -8.311 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.453 -9.574 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.142 -10.619 -5.910 1.00 0.00 H new ATOM 1382 N LEU A 89 10.998 -8.950 -4.295 1.00 0.00 N ATOM 1383 CA LEU A 89 10.184 -9.586 -3.215 1.00 0.00 C ATOM 1384 C LEU A 89 8.880 -10.133 -3.807 1.00 0.00 C ATOM 1385 O LEU A 89 8.558 -11.295 -3.658 1.00 0.00 O ATOM 1386 CB LEU A 89 9.886 -8.459 -2.221 1.00 0.00 C ATOM 1387 CG LEU A 89 10.898 -8.502 -1.073 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.813 -7.205 -0.261 1.00 0.00 C ATOM 1389 CD2 LEU A 89 10.583 -9.692 -0.164 1.00 0.00 C ATOM 0 H LEU A 89 11.170 -7.952 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 89 10.702 -10.419 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.935 -7.494 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.874 -8.564 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 89 11.903 -8.607 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.535 -7.239 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.036 -6.356 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.808 -7.097 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.302 -9.725 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.577 -9.584 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.645 -10.616 -0.739 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.739 -3.518 -7.297 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.401 -2.424 -8.067 1.00 0.00 C ATOM 1664 C TYR A 106 -7.522 -1.163 -8.087 1.00 0.00 C ATOM 1665 O TYR A 106 -7.253 -0.592 -7.049 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.706 -2.150 -7.318 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.603 -1.291 -8.175 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -10.242 0.031 -8.462 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.793 -1.817 -8.682 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -11.073 0.826 -9.257 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -12.626 -1.022 -9.478 1.00 0.00 C ATOM 1672 CZ TYR A 106 -12.266 0.300 -9.766 1.00 0.00 C ATOM 1673 OH TYR A 106 -13.088 1.084 -10.551 1.00 0.00 O ATOM 0 HA TYR A 106 -8.571 -2.703 -9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.204 -3.089 -7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.498 -1.648 -6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.321 0.437 -8.069 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -12.071 -2.837 -8.460 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.794 1.846 -9.478 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.547 -1.428 -9.870 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.738 0.515 -11.014 1.00 0.00 H new ATOM 1683 N PRO A 107 -7.106 -0.756 -9.268 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.262 0.456 -9.398 1.00 0.00 C ATOM 1685 C PRO A 107 -7.039 1.706 -8.978 1.00 0.00 C ATOM 1686 O PRO A 107 -7.477 2.486 -9.802 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.939 0.488 -10.894 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.622 -0.715 -11.573 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.440 -1.475 -10.521 1.00 0.00 C ATOM 0 HA PRO A 107 -5.374 0.435 -8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.289 1.421 -11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.861 0.447 -11.049 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.269 -0.375 -12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.875 -1.372 -12.018 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.508 -1.440 -10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.159 -2.527 -10.472 1.00 0.00 H new