USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 292 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 301 HIS : no HD1:sc= -0.508 K(o=0.33,f=-9.6!) USER MOD Set 1.2: B 211 TYR OH : rot 42:sc= 0.834 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= -2! K(o=-2!,f=-0.19) USER MOD Single : A 303 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot -144:sc= 0.266 USER MOD Single : A 307 GLN : amide:sc= -3.24! K(o=-3.2!,f=-0.15) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0.0139 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 283 9.166 4.715 -5.754 1.00 15.00 N ATOM 44 CA PRO A 283 8.601 4.850 -7.099 1.00 15.00 C ATOM 45 C PRO A 283 7.231 5.532 -7.075 1.00 15.00 C ATOM 46 O PRO A 283 6.373 5.188 -6.262 1.00 15.00 O ATOM 47 CB PRO A 283 8.472 3.402 -7.591 1.00 15.00 C ATOM 48 CG PRO A 283 8.537 2.558 -6.364 1.00 15.00 C ATOM 49 CD PRO A 283 9.396 3.308 -5.389 1.00 15.00 C ATOM 0 HA PRO A 283 9.225 5.470 -7.743 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.533 3.250 -8.123 1.00 15.00 H new ATOM 0 HB3 PRO A 283 9.275 3.150 -8.284 1.00 15.00 H new ATOM 0 HG2 PRO A 283 7.541 2.387 -5.955 1.00 15.00 H new ATOM 0 HG3 PRO A 283 8.963 1.579 -6.586 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.105 3.106 -4.358 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.447 3.034 -5.484 1.00 15.00 H new ATOM 57 N PRO A 284 7.004 6.494 -7.989 1.00 15.00 N ATOM 58 CA PRO A 284 5.771 7.302 -8.027 1.00 15.00 C ATOM 59 C PRO A 284 4.512 6.490 -8.358 1.00 15.00 C ATOM 60 O PRO A 284 3.413 7.041 -8.448 1.00 15.00 O ATOM 61 CB PRO A 284 6.049 8.331 -9.129 1.00 15.00 C ATOM 62 CG PRO A 284 7.097 7.705 -9.983 1.00 15.00 C ATOM 63 CD PRO A 284 7.944 6.879 -9.057 1.00 15.00 C ATOM 0 HA PRO A 284 5.559 7.738 -7.051 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.148 8.547 -9.704 1.00 15.00 H new ATOM 0 HB3 PRO A 284 6.394 9.276 -8.709 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.649 7.085 -10.760 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.695 8.464 -10.487 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.358 6.006 -9.562 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.786 7.450 -8.665 1.00 15.00 H new ATOM 71 N GLY A 285 4.675 5.188 -8.550 1.00 15.00 N ATOM 72 CA GLY A 285 3.531 4.323 -8.748 1.00 15.00 C ATOM 73 C GLY A 285 3.021 3.770 -7.431 1.00 15.00 C ATOM 74 O GLY A 285 1.881 3.305 -7.336 1.00 15.00 O ATOM 0 H GLY A 285 5.579 4.716 -8.572 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.735 4.878 -9.244 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.805 3.500 -9.408 1.00 15.00 H new ATOM 78 N TRP A 286 3.870 3.848 -6.412 1.00 15.00 N ATOM 79 CA TRP A 286 3.557 3.311 -5.099 1.00 15.00 C ATOM 80 C TRP A 286 2.930 4.371 -4.207 1.00 15.00 C ATOM 81 O TRP A 286 3.593 5.325 -3.801 1.00 15.00 O ATOM 82 CB TRP A 286 4.826 2.741 -4.443 1.00 15.00 C ATOM 83 CG TRP A 286 5.128 1.356 -4.908 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.391 0.964 -6.189 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.173 0.173 -4.104 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.571 -0.395 -6.237 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.440 -0.905 -4.973 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.005 -0.091 -2.735 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.532 -2.219 -4.525 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.092 -1.397 -2.303 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.346 -2.446 -3.191 1.00 15.00 C ATOM 0 H TRP A 286 4.790 4.284 -6.475 1.00 15.00 H new ATOM 0 HA TRP A 286 2.832 2.507 -5.225 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.672 3.390 -4.668 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.704 2.740 -3.360 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.449 1.627 -7.040 1.00 15.00 H new ATOM 0 HE1 TRP A 286 5.770 -0.937 -7.078 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.812 0.710 -2.037 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 5.743 -3.030 -5.207 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 4.961 -1.615 -1.253 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.396 -3.457 -2.815 1.00 15.00 H new ATOM 102 N GLU A 287 1.642 4.219 -3.922 1.00 15.00 N ATOM 103 CA GLU A 287 0.967 5.122 -3.012 1.00 15.00 C ATOM 104 C GLU A 287 0.994 4.521 -1.609 1.00 15.00 C ATOM 105 O GLU A 287 0.336 3.512 -1.331 1.00 15.00 O ATOM 106 CB GLU A 287 -0.457 5.382 -3.512 1.00 15.00 C ATOM 107 CG GLU A 287 -1.386 6.039 -2.502 1.00 15.00 C ATOM 108 CD GLU A 287 -1.006 7.466 -2.175 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.380 8.376 -2.943 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -0.347 7.689 -1.139 1.00 15.00 O ATOM 0 H GLU A 287 1.051 3.482 -4.308 1.00 15.00 H new ATOM 0 HA GLU A 287 1.475 6.086 -2.972 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.404 6.014 -4.399 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.895 4.433 -3.822 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.404 6.022 -2.891 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.386 5.451 -1.584 1.00 15.00 H new ATOM 117 N VAL A 288 1.809 5.118 -0.750 1.00 15.00 N ATOM 118 CA VAL A 288 2.049 4.589 0.582 1.00 15.00 C ATOM 119 C VAL A 288 1.117 5.227 1.608 1.00 15.00 C ATOM 120 O VAL A 288 1.208 6.418 1.911 1.00 15.00 O ATOM 121 CB VAL A 288 3.528 4.778 1.003 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.966 6.231 0.861 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.748 4.286 2.426 1.00 15.00 C ATOM 0 H VAL A 288 2.319 5.977 -0.957 1.00 15.00 H new ATOM 0 HA VAL A 288 1.838 3.520 0.549 1.00 15.00 H new ATOM 0 HB VAL A 288 4.144 4.180 0.331 1.00 15.00 H new ATOM 0 HG11 VAL A 288 5.008 6.328 1.165 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.860 6.543 -0.178 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.343 6.862 1.495 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.793 4.427 2.702 1.00 15.00 H new ATOM 0 HG22 VAL A 288 3.112 4.850 3.108 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.497 3.227 2.488 1.00 15.00 H new ATOM 133 N ARG A 289 0.213 4.424 2.143 1.00 15.00 N ATOM 134 CA ARG A 289 -0.752 4.908 3.111 1.00 15.00 C ATOM 135 C ARG A 289 -0.735 4.050 4.364 1.00 15.00 C ATOM 136 O ARG A 289 -0.550 2.837 4.294 1.00 15.00 O ATOM 137 CB ARG A 289 -2.142 4.963 2.472 1.00 15.00 C ATOM 138 CG ARG A 289 -2.269 6.111 1.490 1.00 15.00 C ATOM 139 CD ARG A 289 -1.978 7.433 2.176 1.00 15.00 C ATOM 140 NE ARG A 289 -1.281 8.375 1.304 1.00 15.00 N ATOM 141 CZ ARG A 289 -0.818 9.555 1.712 1.00 15.00 C ATOM 142 NH1 ARG A 289 -0.956 9.925 2.981 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -0.194 10.354 0.862 1.00 15.00 N ATOM 0 H ARG A 289 0.128 3.432 1.922 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.481 5.919 3.416 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.343 4.023 1.959 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.896 5.068 3.252 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.577 5.965 0.660 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.274 6.127 1.068 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -2.915 7.878 2.511 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.375 7.252 3.066 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.141 8.114 0.328 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -1.418 9.304 3.646 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -0.600 10.830 3.290 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -0.067 10.067 -0.108 1.00 15.00 H new ATOM 0 HH22 ARG A 289 0.160 11.257 1.177 1.00 15.00 H new ATOM 157 N SER A 290 -0.925 4.685 5.507 1.00 15.00 N ATOM 158 CA SER A 290 -0.839 4.001 6.785 1.00 15.00 C ATOM 159 C SER A 290 -2.168 4.084 7.533 1.00 15.00 C ATOM 160 O SER A 290 -2.807 5.136 7.566 1.00 15.00 O ATOM 161 CB SER A 290 0.279 4.631 7.616 1.00 15.00 C ATOM 162 OG SER A 290 1.483 4.700 6.870 1.00 15.00 O ATOM 0 H SER A 290 -1.141 5.679 5.576 1.00 15.00 H new ATOM 0 HA SER A 290 -0.616 2.948 6.613 1.00 15.00 H new ATOM 0 HB2 SER A 290 -0.016 5.632 7.932 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.440 4.045 8.521 1.00 15.00 H new ATOM 0 HG SER A 290 2.185 5.108 7.419 1.00 15.00 H new ATOM 168 N THR A 291 -2.571 2.980 8.142 1.00 15.00 N ATOM 169 CA THR A 291 -3.803 2.934 8.913 1.00 15.00 C ATOM 170 C THR A 291 -3.522 3.112 10.403 1.00 15.00 C ATOM 171 O THR A 291 -2.456 2.726 10.893 1.00 15.00 O ATOM 172 CB THR A 291 -4.561 1.613 8.683 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.640 0.586 8.299 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.639 1.769 7.618 1.00 15.00 C ATOM 0 H THR A 291 -2.059 2.098 8.117 1.00 15.00 H new ATOM 0 HA THR A 291 -4.429 3.757 8.569 1.00 15.00 H new ATOM 0 HB THR A 291 -5.049 1.336 9.617 1.00 15.00 H new ATOM 0 HG1 THR A 291 -4.126 -0.253 8.155 1.00 15.00 H new ATOM 0 HG21 THR A 291 -6.155 0.819 7.480 1.00 15.00 H new ATOM 0 HG22 THR A 291 -6.355 2.528 7.933 1.00 15.00 H new ATOM 0 HG23 THR A 291 -5.180 2.072 6.677 1.00 15.00 H new ATOM 182 N VAL A 292 -4.487 3.692 11.118 1.00 15.00 N ATOM 183 CA VAL A 292 -4.360 3.954 12.557 1.00 15.00 C ATOM 184 C VAL A 292 -4.158 2.667 13.365 1.00 15.00 C ATOM 185 O VAL A 292 -3.774 2.707 14.535 1.00 15.00 O ATOM 186 CB VAL A 292 -5.589 4.711 13.102 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.652 6.114 12.520 1.00 15.00 C ATOM 188 CG2 VAL A 292 -6.873 3.949 12.796 1.00 15.00 C ATOM 0 H VAL A 292 -5.377 3.993 10.720 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.473 4.577 12.675 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.488 4.789 14.184 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -6.525 6.633 12.915 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.750 6.662 12.792 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -5.726 6.054 11.434 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -7.726 4.501 13.189 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -6.980 3.835 11.717 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -6.832 2.965 13.262 1.00 15.00 H new ATOM 198 N SER A 293 -4.431 1.533 12.732 1.00 15.00 N ATOM 199 CA SER A 293 -4.227 0.227 13.343 1.00 15.00 C ATOM 200 C SER A 293 -2.740 -0.027 13.623 1.00 15.00 C ATOM 201 O SER A 293 -2.388 -0.953 14.354 1.00 15.00 O ATOM 202 CB SER A 293 -4.782 -0.861 12.425 1.00 15.00 C ATOM 203 OG SER A 293 -6.075 -0.514 11.953 1.00 15.00 O ATOM 0 H SER A 293 -4.800 1.493 11.782 1.00 15.00 H new ATOM 0 HA SER A 293 -4.757 0.205 14.295 1.00 15.00 H new ATOM 0 HB2 SER A 293 -4.109 -1.008 11.580 1.00 15.00 H new ATOM 0 HB3 SER A 293 -4.829 -1.808 12.963 1.00 15.00 H new ATOM 0 HG SER A 293 -6.410 -1.224 11.366 1.00 15.00 H new ATOM 209 N GLY A 294 -1.876 0.780 13.020 1.00 15.00 N ATOM 210 CA GLY A 294 -0.447 0.555 13.126 1.00 15.00 C ATOM 211 C GLY A 294 0.037 -0.340 12.010 1.00 15.00 C ATOM 212 O GLY A 294 0.831 -1.257 12.220 1.00 15.00 O ATOM 0 H GLY A 294 -2.140 1.589 12.458 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.080 1.508 13.089 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.216 0.101 14.089 1.00 15.00 H new ATOM 216 N ARG A 295 -0.455 -0.061 10.816 1.00 15.00 N ATOM 217 CA ARG A 295 -0.186 -0.881 9.651 1.00 15.00 C ATOM 218 C ARG A 295 0.089 -0.005 8.436 1.00 15.00 C ATOM 219 O ARG A 295 -0.665 0.926 8.150 1.00 15.00 O ATOM 220 CB ARG A 295 -1.394 -1.780 9.357 1.00 15.00 C ATOM 221 CG ARG A 295 -1.519 -2.998 10.258 1.00 15.00 C ATOM 222 CD ARG A 295 -0.632 -4.140 9.783 1.00 15.00 C ATOM 223 NE ARG A 295 -0.727 -5.306 10.658 1.00 15.00 N ATOM 224 CZ ARG A 295 0.053 -6.379 10.555 1.00 15.00 C ATOM 225 NH1 ARG A 295 0.995 -6.440 9.624 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -0.112 -7.400 11.385 1.00 15.00 N ATOM 0 H ARG A 295 -1.054 0.743 10.628 1.00 15.00 H new ATOM 0 HA ARG A 295 0.691 -1.495 9.857 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -2.302 -1.184 9.447 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -1.335 -2.116 8.322 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -1.248 -2.726 11.278 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -2.557 -3.329 10.282 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -0.917 -4.423 8.770 1.00 15.00 H new ATOM 0 HD3 ARG A 295 0.403 -3.802 9.741 1.00 15.00 H new ATOM 0 HE ARG A 295 -1.434 -5.297 11.393 1.00 15.00 H new ATOM 0 HH11 ARG A 295 1.126 -5.660 8.979 1.00 15.00 H new ATOM 0 HH12 ARG A 295 1.588 -7.267 9.552 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -0.837 -7.363 12.102 1.00 15.00 H new ATOM 0 HH22 ARG A 295 0.486 -8.223 11.306 1.00 15.00 H new ATOM 240 N ILE A 296 1.153 -0.317 7.713 1.00 15.00 N ATOM 241 CA ILE A 296 1.404 0.314 6.430 1.00 15.00 C ATOM 242 C ILE A 296 0.715 -0.528 5.372 1.00 15.00 C ATOM 243 O ILE A 296 0.722 -1.755 5.465 1.00 15.00 O ATOM 244 CB ILE A 296 2.922 0.442 6.121 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.144 1.242 4.832 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.575 -0.932 6.007 1.00 15.00 C ATOM 247 CD1 ILE A 296 4.605 1.434 4.477 1.00 15.00 C ATOM 0 H ILE A 296 1.855 -1.002 7.993 1.00 15.00 H new ATOM 0 HA ILE A 296 1.012 1.331 6.444 1.00 15.00 H new ATOM 0 HB ILE A 296 3.389 0.975 6.949 1.00 15.00 H new ATOM 0 HG12 ILE A 296 2.643 0.733 4.008 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.673 2.220 4.936 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.637 -0.813 5.790 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.454 -1.471 6.947 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.101 -1.494 5.202 1.00 15.00 H new ATOM 0 HD11 ILE A 296 4.683 2.008 3.554 1.00 15.00 H new ATOM 0 HD12 ILE A 296 5.108 1.971 5.282 1.00 15.00 H new ATOM 0 HD13 ILE A 296 5.077 0.461 4.340 1.00 15.00 H new ATOM 259 N TYR A 297 0.103 0.097 4.388 1.00 15.00 N ATOM 260 CA TYR A 297 -0.727 -0.644 3.461 1.00 15.00 C ATOM 261 C TYR A 297 -0.617 -0.041 2.091 1.00 15.00 C ATOM 262 O TYR A 297 -0.757 1.171 1.906 1.00 15.00 O ATOM 263 CB TYR A 297 -2.194 -0.728 3.931 1.00 15.00 C ATOM 264 CG TYR A 297 -3.064 0.486 3.668 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.755 0.627 2.467 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.233 1.465 4.637 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.573 1.715 2.237 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.055 2.553 4.415 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.722 2.673 3.214 1.00 15.00 C ATOM 270 OH TYR A 297 -5.543 3.756 2.990 1.00 15.00 O ATOM 0 H TYR A 297 0.162 1.100 4.210 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.363 -1.671 3.423 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.657 -1.589 3.449 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -2.197 -0.923 5.003 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.649 -0.128 1.702 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.714 1.375 5.580 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -5.093 1.814 1.296 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -4.175 3.307 5.179 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.539 4.338 3.778 1.00 15.00 H new ATOM 280 N PHE A 298 -0.337 -0.883 1.138 1.00 15.00 N ATOM 281 CA PHE A 298 -0.105 -0.422 -0.190 1.00 15.00 C ATOM 282 C PHE A 298 -1.275 -0.499 -1.106 1.00 15.00 C ATOM 283 O PHE A 298 -2.045 -1.457 -1.109 1.00 15.00 O ATOM 284 CB PHE A 298 1.068 -1.132 -0.791 1.00 15.00 C ATOM 285 CG PHE A 298 2.295 -0.377 -0.509 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.412 0.894 -1.036 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.310 -0.894 0.265 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.526 1.639 -0.808 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.441 -0.150 0.490 1.00 15.00 C ATOM 290 CZ PHE A 298 4.539 1.117 -0.051 1.00 15.00 C ATOM 0 H PHE A 298 -0.265 -1.893 1.262 1.00 15.00 H new ATOM 0 HA PHE A 298 0.103 0.643 -0.083 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.146 -2.139 -0.381 1.00 15.00 H new ATOM 0 HB3 PHE A 298 0.931 -1.235 -1.867 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.611 1.300 -1.635 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.216 -1.881 0.693 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.611 2.634 -1.221 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.248 -0.552 1.085 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.428 1.704 0.126 1.00 15.00 H new ATOM 300 N VAL A 299 -1.348 0.531 -1.916 1.00 15.00 N ATOM 301 CA VAL A 299 -2.247 0.580 -3.029 1.00 15.00 C ATOM 302 C VAL A 299 -1.439 1.050 -4.242 1.00 15.00 C ATOM 303 O VAL A 299 -1.068 2.226 -4.381 1.00 15.00 O ATOM 304 CB VAL A 299 -3.506 1.461 -2.755 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.301 0.909 -1.579 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.152 2.911 -2.487 1.00 15.00 C ATOM 0 H VAL A 299 -0.773 1.367 -1.813 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.660 -0.411 -3.219 1.00 15.00 H new ATOM 0 HB VAL A 299 -4.112 1.427 -3.660 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.175 1.537 -1.404 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.624 -0.108 -1.803 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.674 0.902 -0.687 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.063 3.480 -2.303 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.503 2.972 -1.613 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.635 3.325 -3.352 1.00 15.00 H new ATOM 316 N ASP A 300 -1.051 0.081 -5.051 1.00 15.00 N ATOM 317 CA ASP A 300 -0.251 0.343 -6.235 1.00 15.00 C ATOM 318 C ASP A 300 -1.151 0.477 -7.445 1.00 15.00 C ATOM 319 O ASP A 300 -2.061 -0.329 -7.642 1.00 15.00 O ATOM 320 CB ASP A 300 0.782 -0.763 -6.458 1.00 15.00 C ATOM 321 CG ASP A 300 1.198 -0.860 -7.912 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.817 0.093 -8.429 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 0.866 -1.871 -8.556 1.00 15.00 O ATOM 0 H ASP A 300 -1.279 -0.903 -4.908 1.00 15.00 H new ATOM 0 HA ASP A 300 0.288 1.278 -6.086 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.660 -0.570 -5.841 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.368 -1.718 -6.134 1.00 15.00 H new ATOM 328 N HIS A 301 -0.864 1.475 -8.267 1.00 15.00 N ATOM 329 CA HIS A 301 -1.733 1.831 -9.377 1.00 15.00 C ATOM 330 C HIS A 301 -1.486 0.973 -10.616 1.00 15.00 C ATOM 331 O HIS A 301 -2.307 0.968 -11.533 1.00 15.00 O ATOM 332 CB HIS A 301 -1.563 3.308 -9.739 1.00 15.00 C ATOM 333 CG HIS A 301 -2.127 4.257 -8.725 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.475 4.347 -8.457 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.529 5.196 -7.946 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.684 5.308 -7.577 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.522 5.835 -7.249 1.00 15.00 N ATOM 0 H HIS A 301 -0.030 2.056 -8.185 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.754 1.645 -9.043 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.501 3.519 -9.867 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.043 3.493 -10.700 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.470 5.401 -7.887 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.646 5.611 -7.191 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -2.383 6.596 -6.584 1.00 15.00 H new ATOM 346 N ASN A 302 -0.368 0.259 -10.660 1.00 15.00 N ATOM 347 CA ASN A 302 -0.040 -0.537 -11.842 1.00 15.00 C ATOM 348 C ASN A 302 -0.678 -1.917 -11.778 1.00 15.00 C ATOM 349 O ASN A 302 -1.304 -2.365 -12.739 1.00 15.00 O ATOM 350 CB ASN A 302 1.475 -0.650 -12.030 1.00 15.00 C ATOM 351 CG ASN A 302 2.082 0.619 -12.604 1.00 15.00 C ATOM 352 OD1 ASN A 302 3.232 0.964 -12.313 1.00 15.00 O ATOM 353 ND2 ASN A 302 1.318 1.322 -13.430 1.00 15.00 N ATOM 0 H ASN A 302 0.318 0.212 -9.907 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.452 -0.018 -12.708 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.942 -0.872 -11.070 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.695 -1.487 -12.693 1.00 15.00 H new ATOM 0 HD21 ASN A 302 1.676 2.180 -13.849 1.00 15.00 H new ATOM 0 HD22 ASN A 302 0.373 1.004 -13.646 1.00 15.00 H new ATOM 360 N ASN A 303 -0.515 -2.589 -10.651 1.00 15.00 N ATOM 361 CA ASN A 303 -1.128 -3.895 -10.440 1.00 15.00 C ATOM 362 C ASN A 303 -2.513 -3.730 -9.830 1.00 15.00 C ATOM 363 O ASN A 303 -3.301 -4.675 -9.787 1.00 15.00 O ATOM 364 CB ASN A 303 -0.266 -4.779 -9.530 1.00 15.00 C ATOM 365 CG ASN A 303 1.088 -5.119 -10.124 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.248 -5.204 -11.341 1.00 15.00 O ATOM 367 ND2 ASN A 303 2.072 -5.331 -9.263 1.00 15.00 N ATOM 0 H ASN A 303 0.039 -2.252 -9.863 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.211 -4.384 -11.411 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.119 -4.271 -8.577 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.804 -5.703 -9.319 1.00 15.00 H new ATOM 0 HD21 ASN A 303 3.003 -5.574 -9.602 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.899 -5.251 -8.261 1.00 15.00 H new ATOM 374 N ARG A 304 -2.783 -2.520 -9.329 1.00 15.00 N ATOM 375 CA ARG A 304 -4.023 -2.218 -8.611 1.00 15.00 C ATOM 376 C ARG A 304 -4.109 -3.116 -7.385 1.00 15.00 C ATOM 377 O ARG A 304 -5.185 -3.567 -6.993 1.00 15.00 O ATOM 378 CB ARG A 304 -5.276 -2.404 -9.492 1.00 15.00 C ATOM 379 CG ARG A 304 -5.291 -1.592 -10.787 1.00 15.00 C ATOM 380 CD ARG A 304 -4.500 -2.265 -11.900 1.00 15.00 C ATOM 381 NE ARG A 304 -4.983 -3.621 -12.173 1.00 15.00 N ATOM 382 CZ ARG A 304 -4.376 -4.485 -12.990 1.00 15.00 C ATOM 383 NH1 ARG A 304 -3.242 -4.151 -13.593 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -4.894 -5.693 -13.179 1.00 15.00 N ATOM 0 H ARG A 304 -2.149 -1.725 -9.410 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.998 -1.168 -8.318 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.369 -3.460 -9.744 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.155 -2.138 -8.905 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -6.322 -1.449 -11.112 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.877 -0.602 -10.597 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -4.569 -1.666 -12.808 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -3.446 -2.304 -11.624 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.839 -3.925 -11.709 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -2.831 -3.231 -13.433 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -2.781 -4.814 -14.216 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -5.754 -5.960 -12.700 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -4.432 -6.354 -13.803 1.00 15.00 H new ATOM 398 N THR A 305 -2.964 -3.319 -6.753 1.00 15.00 N ATOM 399 CA THR A 305 -2.832 -4.337 -5.724 1.00 15.00 C ATOM 400 C THR A 305 -2.673 -3.726 -4.336 1.00 15.00 C ATOM 401 O THR A 305 -2.147 -2.620 -4.183 1.00 15.00 O ATOM 402 CB THR A 305 -1.630 -5.265 -6.017 1.00 15.00 C ATOM 403 OG1 THR A 305 -1.640 -6.390 -5.126 1.00 15.00 O ATOM 404 CG2 THR A 305 -0.307 -4.522 -5.872 1.00 15.00 C ATOM 0 H THR A 305 -2.111 -2.791 -6.935 1.00 15.00 H new ATOM 0 HA THR A 305 -3.753 -4.920 -5.739 1.00 15.00 H new ATOM 0 HB THR A 305 -1.725 -5.610 -7.046 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.875 -6.970 -5.323 1.00 15.00 H new ATOM 0 HG21 THR A 305 0.518 -5.202 -6.085 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.279 -3.688 -6.573 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.212 -4.144 -4.854 1.00 15.00 H new ATOM 412 N THR A 306 -3.151 -4.454 -3.335 1.00 15.00 N ATOM 413 CA THR A 306 -2.941 -4.093 -1.948 1.00 15.00 C ATOM 414 C THR A 306 -1.912 -5.031 -1.324 1.00 15.00 C ATOM 415 O THR A 306 -2.059 -6.253 -1.383 1.00 15.00 O ATOM 416 CB THR A 306 -4.249 -4.164 -1.140 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.238 -3.309 -1.729 1.00 15.00 O ATOM 418 CG2 THR A 306 -4.012 -3.747 0.302 1.00 15.00 C ATOM 0 H THR A 306 -3.693 -5.308 -3.466 1.00 15.00 H new ATOM 0 HA THR A 306 -2.579 -3.065 -1.921 1.00 15.00 H new ATOM 0 HB THR A 306 -4.604 -5.194 -1.155 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.785 -2.906 -1.022 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.949 -3.804 0.856 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.280 -4.413 0.758 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.637 -2.724 0.328 1.00 15.00 H new ATOM 426 N GLN A 307 -0.871 -4.458 -0.741 1.00 15.00 N ATOM 427 CA GLN A 307 0.201 -5.245 -0.150 1.00 15.00 C ATOM 428 C GLN A 307 0.440 -4.827 1.295 1.00 15.00 C ATOM 429 O GLN A 307 0.461 -3.636 1.607 1.00 15.00 O ATOM 430 CB GLN A 307 1.492 -5.063 -0.957 1.00 15.00 C ATOM 431 CG GLN A 307 1.411 -5.574 -2.389 1.00 15.00 C ATOM 432 CD GLN A 307 1.621 -7.078 -2.514 1.00 15.00 C ATOM 433 OE1 GLN A 307 2.111 -7.555 -3.538 1.00 15.00 O ATOM 434 NE2 GLN A 307 1.267 -7.834 -1.485 1.00 15.00 N ATOM 0 H GLN A 307 -0.745 -3.449 -0.664 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.094 -6.294 -0.168 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.749 -4.004 -0.975 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.303 -5.580 -0.444 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.436 -5.316 -2.803 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.159 -5.060 -2.992 1.00 15.00 H new ATOM 0 HE21 GLN A 307 0.864 -7.405 -0.652 1.00 15.00 H new ATOM 0 HE22 GLN A 307 1.398 -8.845 -1.526 1.00 15.00 H new ATOM 443 N PHE A 308 0.623 -5.812 2.162 1.00 15.00 N ATOM 444 CA PHE A 308 1.011 -5.554 3.539 1.00 15.00 C ATOM 445 C PHE A 308 2.506 -5.787 3.699 1.00 15.00 C ATOM 446 O PHE A 308 3.123 -5.323 4.659 1.00 15.00 O ATOM 447 CB PHE A 308 0.225 -6.435 4.517 1.00 15.00 C ATOM 448 CG PHE A 308 -0.826 -5.686 5.291 1.00 15.00 C ATOM 449 CD1 PHE A 308 -0.759 -4.313 5.411 1.00 15.00 C ATOM 450 CD2 PHE A 308 -1.867 -6.352 5.912 1.00 15.00 C ATOM 451 CE1 PHE A 308 -1.707 -3.619 6.132 1.00 15.00 C ATOM 452 CE2 PHE A 308 -2.820 -5.663 6.632 1.00 15.00 C ATOM 453 CZ PHE A 308 -2.741 -4.293 6.742 1.00 15.00 C ATOM 0 H PHE A 308 0.508 -6.800 1.934 1.00 15.00 H new ATOM 0 HA PHE A 308 0.778 -4.515 3.773 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.251 -7.244 3.962 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.921 -6.896 5.218 1.00 15.00 H new ATOM 0 HD1 PHE A 308 0.047 -3.775 4.934 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.934 -7.427 5.832 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -1.639 -2.545 6.219 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.628 -6.198 7.109 1.00 15.00 H new ATOM 0 HZ PHE A 308 -3.486 -3.750 7.304 1.00 15.00 H new ATOM 463 N THR A 309 3.076 -6.533 2.763 1.00 15.00 N ATOM 464 CA THR A 309 4.510 -6.733 2.723 1.00 15.00 C ATOM 465 C THR A 309 5.192 -5.546 2.040 1.00 15.00 C ATOM 466 O THR A 309 5.357 -5.519 0.816 1.00 15.00 O ATOM 467 CB THR A 309 4.874 -8.047 2.000 1.00 15.00 C ATOM 468 OG1 THR A 309 4.214 -9.150 2.641 1.00 15.00 O ATOM 469 CG2 THR A 309 6.378 -8.286 2.008 1.00 15.00 C ATOM 0 H THR A 309 2.562 -7.009 2.021 1.00 15.00 H new ATOM 0 HA THR A 309 4.867 -6.805 3.750 1.00 15.00 H new ATOM 0 HB THR A 309 4.545 -7.964 0.964 1.00 15.00 H new ATOM 0 HG1 THR A 309 4.445 -9.983 2.179 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.601 -9.219 1.491 1.00 15.00 H new ATOM 0 HG22 THR A 309 6.880 -7.462 1.501 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.731 -8.348 3.037 1.00 15.00 H new ATOM 477 N ASP A 310 5.548 -4.554 2.845 1.00 15.00 N ATOM 478 CA ASP A 310 6.224 -3.355 2.361 1.00 15.00 C ATOM 479 C ASP A 310 7.711 -3.616 2.140 1.00 15.00 C ATOM 480 O ASP A 310 8.389 -4.174 3.006 1.00 15.00 O ATOM 481 CB ASP A 310 6.030 -2.208 3.356 1.00 15.00 C ATOM 482 CG ASP A 310 7.085 -1.132 3.216 1.00 15.00 C ATOM 483 OD1 ASP A 310 7.031 -0.353 2.245 1.00 15.00 O1- ATOM 484 OD2 ASP A 310 7.995 -1.086 4.064 1.00 15.00 O ATOM 0 H ASP A 310 5.377 -4.556 3.851 1.00 15.00 H new ATOM 0 HA ASP A 310 5.784 -3.076 1.403 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.044 -1.767 3.208 1.00 15.00 H new ATOM 0 HB3 ASP A 310 6.053 -2.605 4.371 1.00 15.00 H new ATOM 489 N PRO A 311 8.237 -3.209 0.975 1.00 15.00 N ATOM 490 CA PRO A 311 9.640 -3.415 0.618 1.00 15.00 C ATOM 491 C PRO A 311 10.590 -2.431 1.306 1.00 15.00 C ATOM 492 O PRO A 311 11.804 -2.629 1.305 1.00 15.00 O ATOM 493 CB PRO A 311 9.643 -3.194 -0.892 1.00 15.00 C ATOM 494 CG PRO A 311 8.547 -2.214 -1.127 1.00 15.00 C ATOM 495 CD PRO A 311 7.491 -2.519 -0.097 1.00 15.00 C ATOM 0 HA PRO A 311 9.996 -4.396 0.931 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.602 -2.806 -1.235 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.465 -4.125 -1.430 1.00 15.00 H new ATOM 0 HG2 PRO A 311 8.909 -1.191 -1.024 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.147 -2.310 -2.136 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.014 -1.610 0.269 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.703 -3.150 -0.507 1.00 15.00 H new ATOM 628 N PRO B 207 -6.541 -8.681 7.525 1.00 15.00 N ATOM 629 CA PRO B 207 -7.060 -8.260 6.217 1.00 15.00 C ATOM 630 C PRO B 207 -6.710 -6.809 5.874 1.00 15.00 C ATOM 631 O PRO B 207 -7.075 -5.882 6.598 1.00 15.00 O ATOM 632 CB PRO B 207 -8.574 -8.420 6.364 1.00 15.00 C ATOM 633 CG PRO B 207 -8.749 -9.439 7.435 1.00 15.00 C ATOM 634 CD PRO B 207 -7.594 -9.255 8.381 1.00 15.00 C ATOM 0 HA PRO B 207 -6.628 -8.850 5.409 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.047 -7.476 6.636 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.029 -8.747 5.429 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.700 -9.303 7.950 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -8.754 -10.446 7.018 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -7.851 -8.588 9.204 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -7.282 -10.201 8.823 1.00 15.00 H new ATOM 642 N PRO B 208 -5.977 -6.606 4.767 1.00 15.00 N ATOM 643 CA PRO B 208 -5.593 -5.273 4.290 1.00 15.00 C ATOM 644 C PRO B 208 -6.759 -4.524 3.632 1.00 15.00 C ATOM 645 O PRO B 208 -7.698 -5.144 3.126 1.00 15.00 O ATOM 646 CB PRO B 208 -4.509 -5.581 3.256 1.00 15.00 C ATOM 647 CG PRO B 208 -4.843 -6.937 2.750 1.00 15.00 C ATOM 648 CD PRO B 208 -5.432 -7.677 3.914 1.00 15.00 C ATOM 0 HA PRO B 208 -5.267 -4.625 5.103 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.510 -4.847 2.451 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.516 -5.560 3.705 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.551 -6.882 1.923 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.954 -7.444 2.375 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.210 -8.371 3.596 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.678 -8.263 4.439 1.00 15.00 H new ATOM 656 N PRO B 209 -6.702 -3.178 3.616 1.00 15.00 N ATOM 657 CA PRO B 209 -7.720 -2.347 2.965 1.00 15.00 C ATOM 658 C PRO B 209 -7.691 -2.495 1.442 1.00 15.00 C ATOM 659 O PRO B 209 -6.643 -2.316 0.818 1.00 15.00 O ATOM 660 CB PRO B 209 -7.338 -0.908 3.352 1.00 15.00 C ATOM 661 CG PRO B 209 -6.291 -1.024 4.404 1.00 15.00 C ATOM 662 CD PRO B 209 -5.644 -2.368 4.229 1.00 15.00 C ATOM 0 HA PRO B 209 -8.725 -2.631 3.278 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.963 -0.359 2.488 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -8.205 -0.362 3.724 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.555 -0.226 4.306 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.730 -0.933 5.398 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.762 -2.309 3.591 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.320 -2.785 5.183 1.00 15.00 H new ATOM 670 N PRO B 210 -8.842 -2.817 0.827 1.00 15.00 N ATOM 671 CA PRO B 210 -8.957 -2.965 -0.631 1.00 15.00 C ATOM 672 C PRO B 210 -8.484 -1.717 -1.375 1.00 15.00 C ATOM 673 O PRO B 210 -8.668 -0.595 -0.896 1.00 15.00 O ATOM 674 CB PRO B 210 -10.460 -3.192 -0.861 1.00 15.00 C ATOM 675 CG PRO B 210 -11.126 -2.808 0.417 1.00 15.00 C ATOM 676 CD PRO B 210 -10.123 -3.061 1.503 1.00 15.00 C ATOM 0 HA PRO B 210 -8.334 -3.777 -1.006 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.825 -2.586 -1.690 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.665 -4.233 -1.112 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.426 -1.760 0.400 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.030 -3.396 0.577 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.267 -2.391 2.351 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.190 -4.079 1.887 1.00 15.00 H new ATOM 684 N TYR B 211 -7.894 -1.920 -2.554 1.00 15.00 N ATOM 685 CA TYR B 211 -7.331 -0.822 -3.334 1.00 15.00 C ATOM 686 C TYR B 211 -8.387 0.218 -3.704 1.00 15.00 C ATOM 687 O TYR B 211 -9.253 -0.020 -4.550 1.00 15.00 O ATOM 688 CB TYR B 211 -6.632 -1.349 -4.606 1.00 15.00 C ATOM 689 CG TYR B 211 -6.280 -0.270 -5.626 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.737 0.950 -5.233 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.504 -0.470 -6.987 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.439 1.934 -6.157 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.198 0.516 -7.911 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.675 1.705 -7.493 1.00 15.00 C ATOM 695 OH TYR B 211 -5.397 2.673 -8.427 1.00 15.00 O ATOM 0 H TYR B 211 -7.795 -2.837 -2.989 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.590 -0.332 -2.703 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.719 -1.868 -4.315 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.279 -2.085 -5.083 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.545 1.131 -4.186 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.922 -1.406 -7.326 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.024 2.877 -5.832 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.373 0.343 -8.963 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.539 3.097 -8.214 1.00 15.00 H new ATOM 705 N SER B 212 -8.325 1.349 -3.025 1.00 15.00 N ATOM 706 CA SER B 212 -9.049 2.534 -3.429 1.00 15.00 C ATOM 707 C SER B 212 -8.092 3.416 -4.218 1.00 15.00 C ATOM 708 O SER B 212 -6.916 3.508 -3.868 1.00 15.00 O ATOM 709 CB SER B 212 -9.591 3.263 -2.196 1.00 15.00 C ATOM 710 OG SER B 212 -8.597 3.399 -1.193 1.00 15.00 O ATOM 0 H SER B 212 -7.770 1.469 -2.178 1.00 15.00 H new ATOM 0 HA SER B 212 -9.904 2.274 -4.053 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.954 4.249 -2.486 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.443 2.715 -1.793 1.00 15.00 H new ATOM 0 HG SER B 212 -8.974 3.870 -0.421 1.00 15.00 H new ATOM 716 N ARG B 213 -8.583 4.072 -5.262 1.00 15.00 N ATOM 717 CA ARG B 213 -7.699 4.771 -6.190 1.00 15.00 C ATOM 718 C ARG B 213 -6.888 5.841 -5.476 1.00 15.00 C ATOM 719 O ARG B 213 -5.660 5.791 -5.467 1.00 15.00 O ATOM 720 CB ARG B 213 -8.491 5.403 -7.334 1.00 15.00 C ATOM 721 CG ARG B 213 -9.180 4.398 -8.237 1.00 15.00 C ATOM 722 CD ARG B 213 -9.912 5.098 -9.368 1.00 15.00 C ATOM 723 NE ARG B 213 -10.959 5.987 -8.868 1.00 15.00 N ATOM 724 CZ ARG B 213 -11.048 7.282 -9.168 1.00 15.00 C ATOM 725 NH1 ARG B 213 -10.159 7.852 -9.972 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -12.027 8.013 -8.654 1.00 15.00 N ATOM 0 H ARG B 213 -9.576 4.136 -5.487 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.014 4.031 -6.604 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.241 6.074 -6.916 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -7.817 6.014 -7.935 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -8.443 3.707 -8.648 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.885 3.804 -7.655 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.200 5.672 -9.961 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -10.353 4.354 -10.031 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.667 5.590 -8.250 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.399 7.298 -10.366 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -10.236 8.844 -10.196 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.710 7.584 -8.030 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -12.097 9.005 -8.882 1.00 15.00 H new ATOM 740 N TYR B 214 -7.565 6.807 -4.885 1.00 15.00 N ATOM 741 CA TYR B 214 -6.882 7.842 -4.129 1.00 15.00 C ATOM 742 C TYR B 214 -7.354 7.831 -2.683 1.00 15.00 C ATOM 743 O TYR B 214 -8.427 8.340 -2.355 1.00 15.00 O ATOM 744 CB TYR B 214 -7.069 9.216 -4.788 1.00 15.00 C ATOM 745 CG TYR B 214 -6.233 9.381 -6.046 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.399 8.526 -7.128 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.265 10.374 -6.141 1.00 15.00 C ATOM 748 CE1 TYR B 214 -5.629 8.649 -8.265 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.491 10.508 -7.280 1.00 15.00 C ATOM 750 CZ TYR B 214 -4.676 9.641 -8.338 1.00 15.00 C ATOM 751 OH TYR B 214 -3.903 9.764 -9.472 1.00 15.00 O ATOM 0 H TYR B 214 -8.581 6.898 -4.912 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.812 7.634 -4.130 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.121 9.356 -5.035 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.803 9.996 -4.075 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.147 7.749 -7.078 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.115 11.051 -5.313 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.772 7.971 -9.094 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.746 11.287 -7.341 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.280 10.513 -9.364 1.00 15.00 H new ATOM 761 N PRO B 215 -6.574 7.171 -1.812 1.00 15.00 N ATOM 762 CA PRO B 215 -6.911 7.016 -0.397 1.00 15.00 C ATOM 763 C PRO B 215 -6.769 8.321 0.387 1.00 15.00 C ATOM 764 O PRO B 215 -7.764 8.922 0.785 1.00 15.00 O ATOM 765 CB PRO B 215 -5.915 5.957 0.094 1.00 15.00 C ATOM 766 CG PRO B 215 -4.762 6.033 -0.844 1.00 15.00 C ATOM 767 CD PRO B 215 -5.305 6.503 -2.162 1.00 15.00 C ATOM 0 HA PRO B 215 -7.952 6.728 -0.253 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.602 6.158 1.119 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.363 4.963 0.086 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.004 6.722 -0.470 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.284 5.059 -0.948 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.616 7.189 -2.655 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.469 5.670 -2.846 1.00 15.00 H new