USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 871 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot -120:sc= -3.79 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0312 USER MOD Single : A 22 ASN :FLIP amide:sc= -4.4! C(o=-6!,f=-4.4!) USER MOD Single : A 35 THR OG1 : rot -71:sc= -0.54 USER MOD Single : A 38 TYR OH : rot -39:sc= 0.0829 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 48 GLN : amide:sc= -1.17 K(o=-1.2,f=-2!) USER MOD Single : A 52 TYR OH : rot -23:sc= 0.042 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.98! C(o=-2.9!,f=-2!) USER MOD Single : A 54 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.907 X(o=-0.91,f=-0.75) USER MOD Single : A 58 GLN : amide:sc= -2.49! C(o=-2.5!,f=-7.1!) USER MOD Single : A 59 CYS SG : rot 122:sc= -0.966 USER MOD Single : A 60 THR OG1 : rot 180:sc= -5.4! USER MOD Single : A 87 THR OG1 : rot 154:sc= 1.09 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -5.92! C(o=-5.9!,f=-14!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 108:sc= 0.344 USER MOD Single : A 103 THR OG1 : rot 93:sc= 0.339 USER MOD Single : A 105 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.04) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.549 K(o=-0.55,f=-1.5!) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.384 9.032 8.561 1.00 0.00 N ATOM 117 CA LYS A 11 -9.194 9.560 9.215 1.00 0.00 C ATOM 118 C LYS A 11 -8.027 8.586 9.093 1.00 0.00 C ATOM 119 O LYS A 11 -8.160 7.516 8.498 1.00 0.00 O ATOM 120 CB LYS A 11 -9.483 9.844 10.692 1.00 0.00 C ATOM 121 CG LYS A 11 -10.607 10.841 10.911 1.00 0.00 C ATOM 122 CD LYS A 11 -10.395 11.651 12.180 1.00 0.00 C ATOM 123 CE LYS A 11 -9.447 12.816 11.945 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.470 13.786 13.075 1.00 0.00 N ATOM 0 HA LYS A 11 -8.920 10.491 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.736 8.908 11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.576 10.222 11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.670 11.513 10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.558 10.311 10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.354 12.027 12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.994 11.006 12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.433 12.438 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.721 13.327 11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.811 14.565 12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.432 14.166 13.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.184 13.305 13.951 1.00 0.00 H new ATOM 138 N ILE A 12 -6.886 8.963 9.659 1.00 0.00 N ATOM 139 CA ILE A 12 -5.697 8.121 9.614 1.00 0.00 C ATOM 140 C ILE A 12 -4.885 8.248 10.899 1.00 0.00 C ATOM 141 O ILE A 12 -4.887 9.295 11.545 1.00 0.00 O ATOM 142 CB ILE A 12 -4.799 8.478 8.414 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.565 7.574 8.388 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.389 9.942 8.477 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.809 7.622 7.078 1.00 0.00 C ATOM 0 H ILE A 12 -6.760 9.846 10.154 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.042 7.093 9.505 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.363 8.318 7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.894 7.865 9.196 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.873 6.547 8.583 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.755 10.179 7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.279 10.570 8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.839 10.126 9.400 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.947 6.957 7.131 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.464 7.302 6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.471 8.641 6.890 1.00 0.00 H new ATOM 157 N ASP A 13 -4.190 7.175 11.261 1.00 0.00 N ATOM 158 CA ASP A 13 -3.370 7.166 12.467 1.00 0.00 C ATOM 159 C ASP A 13 -1.937 7.581 12.152 1.00 0.00 C ATOM 160 O ASP A 13 -0.983 6.914 12.553 1.00 0.00 O ATOM 161 CB ASP A 13 -3.383 5.777 13.107 1.00 0.00 C ATOM 162 CG ASP A 13 -4.472 5.632 14.153 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.607 6.086 13.895 1.00 0.00 O ATOM 164 OD2 ASP A 13 -4.190 5.064 15.228 1.00 0.00 O ATOM 0 H ASP A 13 -4.178 6.300 10.737 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.791 7.885 13.169 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.525 5.024 12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.414 5.583 13.566 1.00 0.00 H new ATOM 169 N LYS A 14 -1.792 8.687 11.431 1.00 0.00 N ATOM 170 CA LYS A 14 -0.475 9.194 11.061 1.00 0.00 C ATOM 171 C LYS A 14 0.581 8.749 12.069 1.00 0.00 C ATOM 172 O LYS A 14 1.678 8.339 11.691 1.00 0.00 O ATOM 173 CB LYS A 14 -0.499 10.720 10.973 1.00 0.00 C ATOM 174 CG LYS A 14 -0.828 11.245 9.586 1.00 0.00 C ATOM 175 CD LYS A 14 -1.298 12.689 9.633 1.00 0.00 C ATOM 176 CE LYS A 14 -0.128 13.658 9.563 1.00 0.00 C ATOM 177 NZ LYS A 14 -0.584 15.068 9.410 1.00 0.00 N ATOM 0 H LYS A 14 -2.571 9.251 11.091 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.217 8.785 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.233 11.105 11.681 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.473 11.108 11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.053 11.169 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.602 10.624 9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.979 12.878 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.859 12.860 10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.474 13.567 10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.515 13.391 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.243 15.697 9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.137 15.161 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.177 15.331 10.223 1.00 0.00 H new ATOM 191 N GLU A 15 0.241 8.830 13.351 1.00 0.00 N ATOM 192 CA GLU A 15 1.161 8.435 14.411 1.00 0.00 C ATOM 193 C GLU A 15 1.612 6.989 14.228 1.00 0.00 C ATOM 194 O GLU A 15 2.804 6.711 14.105 1.00 0.00 O ATOM 195 CB GLU A 15 0.500 8.606 15.780 1.00 0.00 C ATOM 196 CG GLU A 15 -0.554 9.700 15.816 1.00 0.00 C ATOM 197 CD GLU A 15 -0.669 10.356 17.177 1.00 0.00 C ATOM 198 OE1 GLU A 15 0.063 11.336 17.427 1.00 0.00 O ATOM 199 OE2 GLU A 15 -1.490 9.888 17.995 1.00 0.00 O ATOM 0 H GLU A 15 -0.664 9.165 13.681 1.00 0.00 H new ATOM 0 HA GLU A 15 2.038 9.080 14.356 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.041 7.662 16.073 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.269 8.830 16.520 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.311 10.458 15.071 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.520 9.278 15.538 1.00 0.00 H new ATOM 206 N ALA A 16 0.649 6.072 14.214 1.00 0.00 N ATOM 207 CA ALA A 16 0.947 4.655 14.046 1.00 0.00 C ATOM 208 C ALA A 16 1.401 4.355 12.621 1.00 0.00 C ATOM 209 O ALA A 16 2.227 3.469 12.398 1.00 0.00 O ATOM 210 CB ALA A 16 -0.271 3.815 14.401 1.00 0.00 C ATOM 0 H ALA A 16 -0.343 6.285 14.317 1.00 0.00 H new ATOM 0 HA ALA A 16 1.763 4.397 14.721 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.035 2.759 14.271 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.550 4.000 15.438 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.101 4.084 13.748 1.00 0.00 H new ATOM 216 N CYS A 17 0.858 5.097 11.663 1.00 0.00 N ATOM 217 CA CYS A 17 1.207 4.909 10.259 1.00 0.00 C ATOM 218 C CYS A 17 2.683 5.207 10.022 1.00 0.00 C ATOM 219 O CYS A 17 3.409 4.390 9.457 1.00 0.00 O ATOM 220 CB CYS A 17 0.343 5.807 9.372 1.00 0.00 C ATOM 221 SG CYS A 17 -1.431 5.680 9.699 1.00 0.00 S ATOM 0 H CYS A 17 0.174 5.835 11.832 1.00 0.00 H new ATOM 0 HA CYS A 17 1.019 3.867 10.000 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.654 6.843 9.510 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.528 5.555 8.328 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.043 5.285 8.623 1.00 0.00 H new ATOM 227 N ARG A 18 3.121 6.384 10.456 1.00 0.00 N ATOM 228 CA ARG A 18 4.511 6.793 10.289 1.00 0.00 C ATOM 229 C ARG A 18 5.460 5.719 10.811 1.00 0.00 C ATOM 230 O ARG A 18 6.547 5.520 10.271 1.00 0.00 O ATOM 231 CB ARG A 18 4.768 8.114 11.015 1.00 0.00 C ATOM 232 CG ARG A 18 6.215 8.573 10.950 1.00 0.00 C ATOM 233 CD ARG A 18 6.341 10.063 11.231 1.00 0.00 C ATOM 234 NE ARG A 18 6.096 10.376 12.637 1.00 0.00 N ATOM 235 CZ ARG A 18 6.559 11.466 13.238 1.00 0.00 C ATOM 236 NH1 ARG A 18 7.286 12.343 12.560 1.00 0.00 N ATOM 237 NH2 ARG A 18 6.293 11.682 14.520 1.00 0.00 N ATOM 0 H ARG A 18 2.533 7.072 10.926 1.00 0.00 H new ATOM 0 HA ARG A 18 4.697 6.931 9.224 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.131 8.886 10.583 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.476 8.007 12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.808 8.014 11.674 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.624 8.352 9.964 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.339 10.402 10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.633 10.611 10.609 1.00 0.00 H new ATOM 0 HE ARG A 18 5.539 9.722 13.187 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.491 12.182 11.574 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.640 13.179 13.024 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.732 11.011 15.045 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.649 12.519 14.981 1.00 0.00 H new ATOM 251 N ALA A 19 5.040 5.029 11.867 1.00 0.00 N ATOM 252 CA ALA A 19 5.852 3.975 12.463 1.00 0.00 C ATOM 253 C ALA A 19 6.011 2.798 11.506 1.00 0.00 C ATOM 254 O ALA A 19 7.116 2.296 11.303 1.00 0.00 O ATOM 255 CB ALA A 19 5.235 3.511 13.774 1.00 0.00 C ATOM 0 H ALA A 19 4.142 5.181 12.327 1.00 0.00 H new ATOM 0 HA ALA A 19 6.842 4.383 12.664 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.852 2.724 14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.178 4.351 14.467 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.233 3.125 13.588 1.00 0.00 H new ATOM 261 N ALA A 20 4.901 2.362 10.921 1.00 0.00 N ATOM 262 CA ALA A 20 4.917 1.246 9.984 1.00 0.00 C ATOM 263 C ALA A 20 5.660 1.614 8.704 1.00 0.00 C ATOM 264 O ALA A 20 6.471 0.838 8.199 1.00 0.00 O ATOM 265 CB ALA A 20 3.497 0.803 9.665 1.00 0.00 C ATOM 0 H ALA A 20 3.978 2.765 11.080 1.00 0.00 H new ATOM 0 HA ALA A 20 5.446 0.417 10.454 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.525 -0.031 8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.999 0.489 10.582 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.948 1.633 9.220 1.00 0.00 H new ATOM 271 N TYR A 21 5.376 2.803 8.183 1.00 0.00 N ATOM 272 CA TYR A 21 6.015 3.273 6.959 1.00 0.00 C ATOM 273 C TYR A 21 7.504 3.521 7.183 1.00 0.00 C ATOM 274 O TYR A 21 8.279 3.611 6.231 1.00 0.00 O ATOM 275 CB TYR A 21 5.341 4.555 6.468 1.00 0.00 C ATOM 276 CG TYR A 21 6.270 5.474 5.707 1.00 0.00 C ATOM 277 CD1 TYR A 21 7.021 6.438 6.369 1.00 0.00 C ATOM 278 CD2 TYR A 21 6.397 5.379 4.327 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.871 7.280 5.678 1.00 0.00 C ATOM 280 CE2 TYR A 21 7.246 6.216 3.628 1.00 0.00 C ATOM 281 CZ TYR A 21 7.979 7.165 4.308 1.00 0.00 C ATOM 282 OH TYR A 21 8.824 8.001 3.616 1.00 0.00 O ATOM 0 H TYR A 21 4.708 3.458 8.589 1.00 0.00 H new ATOM 0 HA TYR A 21 5.904 2.498 6.200 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.500 4.291 5.827 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.933 5.092 7.324 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.939 6.531 7.442 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.822 4.638 3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.448 8.024 6.208 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.335 6.127 2.555 1.00 0.00 H new ATOM 0 HH TYR A 21 8.784 7.788 2.660 1.00 0.00 H new ATOM 292 N ASN A 22 7.896 3.628 8.447 1.00 0.00 N ATOM 293 CA ASN A 22 9.292 3.866 8.798 1.00 0.00 C ATOM 294 C ASN A 22 10.026 2.548 9.028 1.00 0.00 C ATOM 295 O ASN A 22 11.156 2.367 8.576 1.00 0.00 O ATOM 296 CB ASN A 22 9.384 4.740 10.050 1.00 0.00 C ATOM 297 CG ASN A 22 9.110 6.202 9.755 1.00 0.00 C ATOM 298 OD1 ASN A 22 8.595 6.920 10.746 1.00 0.00 O flip ATOM 299 ND2 ASN A 22 9.360 6.681 8.649 1.00 0.00 N flip ATOM 0 H ASN A 22 7.267 3.554 9.247 1.00 0.00 H new ATOM 0 HA ASN A 22 9.767 4.386 7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.671 4.382 10.793 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.377 4.640 10.487 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.756 6.092 7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.172 7.667 8.466 1.00 0.00 H new ATOM 306 N LEU A 23 9.375 1.631 9.737 1.00 0.00 N ATOM 307 CA LEU A 23 9.966 0.329 10.028 1.00 0.00 C ATOM 308 C LEU A 23 10.434 -0.354 8.747 1.00 0.00 C ATOM 309 O LEU A 23 11.220 -1.301 8.788 1.00 0.00 O ATOM 310 CB LEU A 23 8.954 -0.560 10.755 1.00 0.00 C ATOM 311 CG LEU A 23 9.014 -0.493 12.281 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.291 -1.137 12.795 1.00 0.00 C ATOM 313 CD2 LEU A 23 8.914 0.949 12.753 1.00 0.00 C ATOM 0 H LEU A 23 8.439 1.765 10.120 1.00 0.00 H new ATOM 0 HA LEU A 23 10.832 0.484 10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.951 -0.281 10.433 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.112 -1.593 10.445 1.00 0.00 H new ATOM 0 HG LEU A 23 8.166 -1.047 12.684 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.315 -1.079 13.883 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.321 -2.182 12.486 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.154 -0.612 12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.958 0.979 13.842 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.742 1.525 12.340 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.970 1.377 12.416 1.00 0.00 H new ATOM 325 N VAL A 24 9.946 0.132 7.610 1.00 0.00 N ATOM 326 CA VAL A 24 10.315 -0.431 6.317 1.00 0.00 C ATOM 327 C VAL A 24 11.274 0.489 5.571 1.00 0.00 C ATOM 328 O VAL A 24 12.218 0.030 4.929 1.00 0.00 O ATOM 329 CB VAL A 24 9.074 -0.682 5.440 1.00 0.00 C ATOM 330 CG1 VAL A 24 8.248 0.589 5.308 1.00 0.00 C ATOM 331 CG2 VAL A 24 9.486 -1.205 4.072 1.00 0.00 C ATOM 0 H VAL A 24 9.294 0.915 7.558 1.00 0.00 H new ATOM 0 HA VAL A 24 10.809 -1.382 6.515 1.00 0.00 H new ATOM 0 HB VAL A 24 8.456 -1.440 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.375 0.393 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.923 0.916 6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.853 1.370 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.597 -1.377 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.125 -0.472 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.032 -2.141 4.190 1.00 0.00 H new ATOM 341 N ARG A 25 11.025 1.792 5.660 1.00 0.00 N ATOM 342 CA ARG A 25 11.867 2.778 4.993 1.00 0.00 C ATOM 343 C ARG A 25 13.256 2.823 5.622 1.00 0.00 C ATOM 344 O ARG A 25 14.240 3.142 4.955 1.00 0.00 O ATOM 345 CB ARG A 25 11.219 4.162 5.061 1.00 0.00 C ATOM 346 CG ARG A 25 12.213 5.289 5.292 1.00 0.00 C ATOM 347 CD ARG A 25 11.555 6.652 5.143 1.00 0.00 C ATOM 348 NE ARG A 25 12.500 7.670 4.691 1.00 0.00 N ATOM 349 CZ ARG A 25 12.840 7.842 3.418 1.00 0.00 C ATOM 350 NH1 ARG A 25 12.316 7.068 2.477 1.00 0.00 N ATOM 351 NH2 ARG A 25 13.707 8.790 3.084 1.00 0.00 N ATOM 0 H ARG A 25 10.247 2.189 6.187 1.00 0.00 H new ATOM 0 HA ARG A 25 11.970 2.483 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.681 4.348 4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.481 4.169 5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.642 5.198 6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 25 13.035 5.201 4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.731 6.581 4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.127 6.954 6.099 1.00 0.00 H new ATOM 0 HE ARG A 25 12.922 8.282 5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.650 6.338 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.579 7.203 1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.113 9.387 3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.968 8.921 2.107 1.00 0.00 H new ATOM 365 N ASP A 26 13.327 2.501 6.909 1.00 0.00 N ATOM 366 CA ASP A 26 14.595 2.504 7.629 1.00 0.00 C ATOM 367 C ASP A 26 15.482 1.350 7.171 1.00 0.00 C ATOM 368 O ASP A 26 14.999 0.371 6.599 1.00 0.00 O ATOM 369 CB ASP A 26 14.351 2.409 9.136 1.00 0.00 C ATOM 370 CG ASP A 26 15.614 2.645 9.942 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.423 3.506 9.538 1.00 0.00 O ATOM 372 OD2 ASP A 26 15.791 1.970 10.977 1.00 0.00 O ATOM 0 H ASP A 26 12.521 2.235 7.475 1.00 0.00 H new ATOM 0 HA ASP A 26 15.107 3.441 7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.596 3.140 9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.949 1.424 9.375 1.00 0.00 H new ATOM 417 N VAL A 31 11.930 -5.272 8.979 1.00 0.00 N ATOM 418 CA VAL A 31 10.670 -5.073 8.271 1.00 0.00 C ATOM 419 C VAL A 31 10.905 -4.484 6.885 1.00 0.00 C ATOM 420 O VAL A 31 11.588 -3.470 6.738 1.00 0.00 O ATOM 421 CB VAL A 31 9.726 -4.145 9.059 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.454 -3.881 8.267 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.403 -4.743 10.419 1.00 0.00 C ATOM 0 HA VAL A 31 10.204 -6.053 8.170 1.00 0.00 H new ATOM 0 HB VAL A 31 10.231 -3.192 9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.799 -3.224 8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.707 -3.406 7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.943 -4.824 8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.735 -4.074 10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.918 -5.710 10.285 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.324 -4.875 10.987 1.00 0.00 H new ATOM 433 N ILE A 32 10.335 -5.127 5.872 1.00 0.00 N ATOM 434 CA ILE A 32 10.480 -4.666 4.496 1.00 0.00 C ATOM 435 C ILE A 32 9.126 -4.324 3.885 1.00 0.00 C ATOM 436 O ILE A 32 9.050 -3.657 2.853 1.00 0.00 O ATOM 437 CB ILE A 32 11.175 -5.723 3.619 1.00 0.00 C ATOM 438 CG1 ILE A 32 10.170 -6.788 3.174 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.332 -6.362 4.374 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.722 -7.746 2.140 1.00 0.00 C ATOM 0 H ILE A 32 9.768 -5.969 5.978 1.00 0.00 H new ATOM 0 HA ILE A 32 11.098 -3.769 4.527 1.00 0.00 H new ATOM 0 HB ILE A 32 11.574 -5.232 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.844 -7.355 4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.287 -6.295 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.813 -7.107 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.057 -5.595 4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.956 -6.842 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.955 -8.473 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.022 -7.190 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.587 -8.266 2.551 1.00 0.00 H new ATOM 452 N TRP A 33 8.060 -4.784 4.529 1.00 0.00 N ATOM 453 CA TRP A 33 6.706 -4.525 4.048 1.00 0.00 C ATOM 454 C TRP A 33 5.769 -4.206 5.208 1.00 0.00 C ATOM 455 O TRP A 33 5.901 -4.764 6.298 1.00 0.00 O ATOM 456 CB TRP A 33 6.181 -5.730 3.268 1.00 0.00 C ATOM 457 CG TRP A 33 6.037 -6.965 4.107 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.889 -8.031 4.148 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.977 -7.259 5.023 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.423 -8.971 5.035 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.251 -8.521 5.586 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.824 -6.579 5.424 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.414 -9.114 6.526 1.00 0.00 C ATOM 464 CZ3 TRP A 33 2.994 -7.169 6.357 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.291 -8.426 6.901 1.00 0.00 C ATOM 0 H TRP A 33 8.105 -5.338 5.384 1.00 0.00 H new ATOM 0 HA TRP A 33 6.741 -3.660 3.385 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.213 -5.479 2.834 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.857 -5.940 2.439 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.796 -8.122 3.568 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.876 -9.860 5.249 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.586 -5.610 5.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.642 -10.083 6.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.100 -6.652 6.673 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.622 -8.860 7.629 1.00 0.00 H new ATOM 476 N VAL A 34 4.822 -3.305 4.968 1.00 0.00 N ATOM 477 CA VAL A 34 3.861 -2.913 5.991 1.00 0.00 C ATOM 478 C VAL A 34 2.490 -2.642 5.384 1.00 0.00 C ATOM 479 O VAL A 34 2.374 -1.967 4.361 1.00 0.00 O ATOM 480 CB VAL A 34 4.331 -1.659 6.751 1.00 0.00 C ATOM 481 CG1 VAL A 34 5.574 -1.966 7.573 1.00 0.00 C ATOM 482 CG2 VAL A 34 4.593 -0.516 5.782 1.00 0.00 C ATOM 0 H VAL A 34 4.700 -2.832 4.072 1.00 0.00 H new ATOM 0 HA VAL A 34 3.786 -3.746 6.690 1.00 0.00 H new ATOM 0 HB VAL A 34 3.539 -1.352 7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.891 -1.068 8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.349 -2.752 8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.374 -2.299 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.924 0.362 6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.366 -0.810 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.676 -0.280 5.242 1.00 0.00 H new ATOM 492 N THR A 35 1.450 -3.174 6.021 1.00 0.00 N ATOM 493 CA THR A 35 0.086 -2.989 5.544 1.00 0.00 C ATOM 494 C THR A 35 -0.665 -1.978 6.401 1.00 0.00 C ATOM 495 O THR A 35 -0.357 -1.798 7.580 1.00 0.00 O ATOM 496 CB THR A 35 -0.691 -4.319 5.539 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.321 -5.108 6.675 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.420 -5.101 4.263 1.00 0.00 C ATOM 0 H THR A 35 1.528 -3.736 6.868 1.00 0.00 H new ATOM 0 HA THR A 35 0.156 -2.613 4.523 1.00 0.00 H new ATOM 0 HB THR A 35 -1.756 -4.091 5.587 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.592 -5.445 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.980 -6.036 4.283 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.731 -4.510 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.646 -5.318 4.189 1.00 0.00 H new ATOM 506 N PHE A 36 -1.652 -1.319 5.803 1.00 0.00 N ATOM 507 CA PHE A 36 -2.447 -0.323 6.512 1.00 0.00 C ATOM 508 C PHE A 36 -3.938 -0.611 6.362 1.00 0.00 C ATOM 509 O PHE A 36 -4.557 -0.230 5.367 1.00 0.00 O ATOM 510 CB PHE A 36 -2.131 1.079 5.991 1.00 0.00 C ATOM 511 CG PHE A 36 -0.663 1.395 5.972 1.00 0.00 C ATOM 512 CD1 PHE A 36 0.115 1.071 4.871 1.00 0.00 C ATOM 513 CD2 PHE A 36 -0.060 2.017 7.053 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.466 1.360 4.851 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.291 2.309 7.039 1.00 0.00 C ATOM 516 CZ PHE A 36 2.055 1.980 5.936 1.00 0.00 C ATOM 0 H PHE A 36 -1.921 -1.457 4.829 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.189 -0.375 7.570 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.529 1.181 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.644 1.813 6.612 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.340 0.587 4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.653 2.277 7.917 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.061 1.101 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.749 2.794 7.889 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.111 2.207 5.922 1.00 0.00 H new ATOM 526 N ARG A 37 -4.508 -1.285 7.354 1.00 0.00 N ATOM 527 CA ARG A 37 -5.926 -1.625 7.333 1.00 0.00 C ATOM 528 C ARG A 37 -6.732 -0.649 8.184 1.00 0.00 C ATOM 529 O ARG A 37 -6.169 0.178 8.900 1.00 0.00 O ATOM 530 CB ARG A 37 -6.138 -3.054 7.837 1.00 0.00 C ATOM 531 CG ARG A 37 -5.646 -3.277 9.258 1.00 0.00 C ATOM 532 CD ARG A 37 -5.404 -4.752 9.538 1.00 0.00 C ATOM 533 NE ARG A 37 -6.595 -5.411 10.066 1.00 0.00 N ATOM 534 CZ ARG A 37 -6.766 -6.729 10.065 1.00 0.00 C ATOM 535 NH1 ARG A 37 -5.828 -7.522 9.568 1.00 0.00 N ATOM 536 NH2 ARG A 37 -7.878 -7.254 10.563 1.00 0.00 N ATOM 0 H ARG A 37 -4.010 -1.607 8.184 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.275 -1.555 6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.200 -3.294 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.623 -3.746 7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.723 -2.719 9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.379 -2.887 9.964 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.092 -5.249 8.619 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.586 -4.856 10.251 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.336 -4.829 10.457 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.972 -7.121 9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.962 -8.533 9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.602 -6.646 10.947 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.009 -8.266 10.562 1.00 0.00 H new ATOM 550 N TYR A 38 -8.055 -0.751 8.100 1.00 0.00 N ATOM 551 CA TYR A 38 -8.939 0.124 8.860 1.00 0.00 C ATOM 552 C TYR A 38 -9.409 -0.557 10.141 1.00 0.00 C ATOM 553 O TYR A 38 -9.582 -1.775 10.182 1.00 0.00 O ATOM 554 CB TYR A 38 -10.145 0.527 8.010 1.00 0.00 C ATOM 555 CG TYR A 38 -9.773 1.233 6.725 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.514 0.514 5.565 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.679 2.618 6.673 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.172 1.155 4.390 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.340 3.267 5.502 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.087 2.531 4.362 1.00 0.00 C ATOM 561 OH TYR A 38 -8.747 3.173 3.195 1.00 0.00 O ATOM 0 H TYR A 38 -8.538 -1.431 7.513 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.379 1.019 9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.724 -0.365 7.770 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.792 1.178 8.598 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.581 -0.564 5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.874 3.197 7.563 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.972 0.581 3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.273 4.345 5.478 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.053 2.661 2.730 1.00 0.00 H new ATOM 571 N ASP A 39 -9.617 0.239 11.184 1.00 0.00 N ATOM 572 CA ASP A 39 -10.070 -0.285 12.467 1.00 0.00 C ATOM 573 C ASP A 39 -11.407 0.332 12.865 1.00 0.00 C ATOM 574 O ASP A 39 -11.877 0.150 13.988 1.00 0.00 O ATOM 575 CB ASP A 39 -9.025 -0.012 13.551 1.00 0.00 C ATOM 576 CG ASP A 39 -9.059 -1.045 14.661 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.265 -2.238 14.356 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.880 -0.659 15.835 1.00 0.00 O ATOM 0 H ASP A 39 -9.479 1.249 11.166 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.204 -1.362 12.365 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.033 0.000 13.100 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.195 0.978 13.974 1.00 0.00 H new ATOM 583 N GLY A 40 -12.015 1.065 11.937 1.00 0.00 N ATOM 584 CA GLY A 40 -13.290 1.700 12.210 1.00 0.00 C ATOM 585 C GLY A 40 -13.310 3.162 11.808 1.00 0.00 C ATOM 586 O GLY A 40 -13.321 4.047 12.662 1.00 0.00 O ATOM 0 H GLY A 40 -11.646 1.230 11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.078 1.169 11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.513 1.616 13.274 1.00 0.00 H new ATOM 590 N ALA A 41 -13.311 3.414 10.502 1.00 0.00 N ATOM 591 CA ALA A 41 -13.329 4.778 9.989 1.00 0.00 C ATOM 592 C ALA A 41 -12.002 5.482 10.253 1.00 0.00 C ATOM 593 O ALA A 41 -11.934 6.711 10.280 1.00 0.00 O ATOM 594 CB ALA A 41 -14.476 5.560 10.609 1.00 0.00 C ATOM 0 H ALA A 41 -13.300 2.692 9.782 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.477 4.732 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.477 6.577 10.217 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.421 5.075 10.364 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.353 5.589 11.692 1.00 0.00 H new ATOM 600 N THR A 42 -10.949 4.694 10.451 1.00 0.00 N ATOM 601 CA THR A 42 -9.624 5.242 10.716 1.00 0.00 C ATOM 602 C THR A 42 -8.531 4.278 10.271 1.00 0.00 C ATOM 603 O THR A 42 -8.442 3.155 10.768 1.00 0.00 O ATOM 604 CB THR A 42 -9.437 5.560 12.210 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.636 6.131 12.746 1.00 0.00 O ATOM 606 CG2 THR A 42 -8.274 6.519 12.418 1.00 0.00 C ATOM 0 H THR A 42 -10.988 3.675 10.433 1.00 0.00 H new ATOM 0 HA THR A 42 -9.543 6.166 10.143 1.00 0.00 H new ATOM 0 HB THR A 42 -9.217 4.628 12.731 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.507 6.328 13.697 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.161 6.729 13.482 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.358 6.067 12.038 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.469 7.449 11.883 1.00 0.00 H new ATOM 614 N ILE A 43 -7.702 4.722 9.332 1.00 0.00 N ATOM 615 CA ILE A 43 -6.614 3.897 8.823 1.00 0.00 C ATOM 616 C ILE A 43 -5.567 3.640 9.902 1.00 0.00 C ATOM 617 O ILE A 43 -5.179 4.550 10.634 1.00 0.00 O ATOM 618 CB ILE A 43 -5.932 4.553 7.608 1.00 0.00 C ATOM 619 CG1 ILE A 43 -6.952 4.803 6.496 1.00 0.00 C ATOM 620 CG2 ILE A 43 -4.793 3.678 7.103 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.552 5.908 5.544 1.00 0.00 C ATOM 0 H ILE A 43 -7.763 5.648 8.909 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.055 2.949 8.515 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.518 5.513 7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.094 3.882 5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.913 5.052 6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.321 4.155 6.244 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.056 3.547 7.895 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.185 2.705 6.807 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.322 6.029 4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.438 6.841 6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.606 5.652 5.066 1.00 0.00 H new ATOM 633 N VAL A 44 -5.113 2.394 9.993 1.00 0.00 N ATOM 634 CA VAL A 44 -4.109 2.017 10.980 1.00 0.00 C ATOM 635 C VAL A 44 -3.250 0.862 10.477 1.00 0.00 C ATOM 636 O VAL A 44 -3.714 -0.023 9.759 1.00 0.00 O ATOM 637 CB VAL A 44 -4.759 1.614 12.317 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.581 2.765 12.880 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.618 0.371 12.138 1.00 0.00 C ATOM 0 H VAL A 44 -5.425 1.629 9.395 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.479 2.892 11.140 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.968 1.381 13.030 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.033 2.462 13.825 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.934 3.626 13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.366 3.032 12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.070 0.100 13.092 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.403 0.573 11.409 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.997 -0.452 11.784 1.00 0.00 H new ATOM 649 N PRO A 45 -1.966 0.868 10.864 1.00 0.00 N ATOM 650 CA PRO A 45 -1.013 -0.173 10.464 1.00 0.00 C ATOM 651 C PRO A 45 -1.530 -1.575 10.762 1.00 0.00 C ATOM 652 O PRO A 45 -1.686 -1.959 11.920 1.00 0.00 O ATOM 653 CB PRO A 45 0.224 0.131 11.314 1.00 0.00 C ATOM 654 CG PRO A 45 0.126 1.587 11.616 1.00 0.00 C ATOM 655 CD PRO A 45 -1.343 1.892 11.720 1.00 0.00 C ATOM 0 HA PRO A 45 -0.823 -0.160 9.391 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.233 -0.463 12.228 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.142 -0.101 10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.641 1.828 12.546 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.593 2.181 10.830 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.696 1.824 12.749 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.570 2.899 11.371 1.00 0.00 H new ATOM 663 N GLY A 46 -1.795 -2.340 9.706 1.00 0.00 N ATOM 664 CA GLY A 46 -2.291 -3.692 9.875 1.00 0.00 C ATOM 665 C GLY A 46 -1.190 -4.677 10.213 1.00 0.00 C ATOM 666 O GLY A 46 -0.766 -4.772 11.365 1.00 0.00 O ATOM 0 H GLY A 46 -1.674 -2.046 8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.040 -3.704 10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.790 -4.010 8.959 1.00 0.00 H new ATOM 670 N ASP A 47 -0.726 -5.412 9.209 1.00 0.00 N ATOM 671 CA ASP A 47 0.332 -6.394 9.405 1.00 0.00 C ATOM 672 C ASP A 47 1.706 -5.765 9.191 1.00 0.00 C ATOM 673 O ASP A 47 1.813 -4.637 8.711 1.00 0.00 O ATOM 674 CB ASP A 47 0.145 -7.576 8.452 1.00 0.00 C ATOM 675 CG ASP A 47 -1.136 -8.338 8.719 1.00 0.00 C ATOM 676 OD1 ASP A 47 -1.107 -9.284 9.534 1.00 0.00 O ATOM 677 OD2 ASP A 47 -2.172 -7.988 8.113 1.00 0.00 O ATOM 0 H ASP A 47 -1.067 -5.346 8.250 1.00 0.00 H new ATOM 0 HA ASP A 47 0.273 -6.753 10.433 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.141 -7.213 7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.994 -8.253 8.547 1.00 0.00 H new ATOM 682 N GLN A 48 2.752 -6.500 9.553 1.00 0.00 N ATOM 683 CA GLN A 48 4.117 -6.012 9.401 1.00 0.00 C ATOM 684 C GLN A 48 5.120 -7.158 9.501 1.00 0.00 C ATOM 685 O GLN A 48 4.966 -8.059 10.323 1.00 0.00 O ATOM 686 CB GLN A 48 4.425 -4.956 10.465 1.00 0.00 C ATOM 687 CG GLN A 48 5.814 -4.353 10.340 1.00 0.00 C ATOM 688 CD GLN A 48 6.213 -3.547 11.561 1.00 0.00 C ATOM 689 OE1 GLN A 48 7.002 -4.003 12.388 1.00 0.00 O ATOM 690 NE2 GLN A 48 5.668 -2.342 11.679 1.00 0.00 N ATOM 0 H GLN A 48 2.680 -7.435 9.953 1.00 0.00 H new ATOM 0 HA GLN A 48 4.206 -5.560 8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.685 -4.159 10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.321 -5.406 11.452 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.540 -5.151 10.183 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.850 -3.712 9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.018 -2.004 10.969 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.899 -1.754 12.480 1.00 0.00 H new ATOM 699 N GLY A 49 6.146 -7.115 8.656 1.00 0.00 N ATOM 700 CA GLY A 49 7.157 -8.156 8.665 1.00 0.00 C ATOM 701 C GLY A 49 8.148 -8.010 7.527 1.00 0.00 C ATOM 702 O GLY A 49 7.963 -7.181 6.637 1.00 0.00 O ATOM 0 H GLY A 49 6.295 -6.379 7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.692 -8.131 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.672 -9.130 8.598 1.00 0.00 H new ATOM 706 N ALA A 50 9.202 -8.818 7.556 1.00 0.00 N ATOM 707 CA ALA A 50 10.225 -8.777 6.518 1.00 0.00 C ATOM 708 C ALA A 50 9.941 -9.801 5.426 1.00 0.00 C ATOM 709 O ALA A 50 10.425 -9.674 4.300 1.00 0.00 O ATOM 710 CB ALA A 50 11.600 -9.016 7.124 1.00 0.00 C ATOM 0 H ALA A 50 9.370 -9.509 8.287 1.00 0.00 H new ATOM 0 HA ALA A 50 10.207 -7.787 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.355 -8.983 6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.811 -8.243 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.620 -9.994 7.606 1.00 0.00 H new ATOM 716 N ASP A 51 9.154 -10.817 5.763 1.00 0.00 N ATOM 717 CA ASP A 51 8.805 -11.864 4.810 1.00 0.00 C ATOM 718 C ASP A 51 7.642 -11.427 3.926 1.00 0.00 C ATOM 719 O ASP A 51 6.493 -11.387 4.368 1.00 0.00 O ATOM 720 CB ASP A 51 8.444 -13.155 5.547 1.00 0.00 C ATOM 721 CG ASP A 51 8.684 -14.390 4.703 1.00 0.00 C ATOM 722 OD1 ASP A 51 9.696 -14.421 3.972 1.00 0.00 O ATOM 723 OD2 ASP A 51 7.859 -15.326 4.771 1.00 0.00 O ATOM 0 H ASP A 51 8.745 -10.938 6.690 1.00 0.00 H new ATOM 0 HA ASP A 51 9.672 -12.048 4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.032 -13.224 6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.396 -13.119 5.844 1.00 0.00 H new ATOM 728 N TYR A 52 7.947 -11.100 2.675 1.00 0.00 N ATOM 729 CA TYR A 52 6.927 -10.662 1.729 1.00 0.00 C ATOM 730 C TYR A 52 5.797 -11.682 1.635 1.00 0.00 C ATOM 731 O TYR A 52 4.657 -11.335 1.332 1.00 0.00 O ATOM 732 CB TYR A 52 7.545 -10.440 0.347 1.00 0.00 C ATOM 733 CG TYR A 52 6.744 -9.505 -0.531 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.548 -9.915 -1.106 1.00 0.00 C ATOM 735 CD2 TYR A 52 7.183 -8.213 -0.785 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.813 -9.065 -1.910 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.455 -7.355 -1.586 1.00 0.00 C ATOM 738 CZ TYR A 52 5.271 -7.786 -2.147 1.00 0.00 C ATOM 739 OH TYR A 52 4.542 -6.936 -2.946 1.00 0.00 O ATOM 0 H TYR A 52 8.892 -11.130 2.292 1.00 0.00 H new ATOM 0 HA TYR A 52 6.513 -9.721 2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.551 -10.038 0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.644 -11.402 -0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.186 -10.916 -0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.110 -7.873 -0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.885 -9.400 -2.350 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.811 -6.352 -1.772 1.00 0.00 H new ATOM 0 HH TYR A 52 3.970 -7.460 -3.545 1.00 0.00 H new ATOM 749 N GLN A 53 6.124 -12.943 1.898 1.00 0.00 N ATOM 750 CA GLN A 53 5.138 -14.016 1.843 1.00 0.00 C ATOM 751 C GLN A 53 4.112 -13.869 2.962 1.00 0.00 C ATOM 752 O GLN A 53 2.993 -14.374 2.863 1.00 0.00 O ATOM 753 CB GLN A 53 5.827 -15.377 1.942 1.00 0.00 C ATOM 754 CG GLN A 53 6.631 -15.745 0.705 1.00 0.00 C ATOM 755 CD GLN A 53 7.201 -14.531 -0.001 1.00 0.00 C ATOM 756 OE1 GLN A 53 6.381 -13.880 -0.818 1.00 0.00 O flip ATOM 757 NE2 GLN A 53 8.367 -14.182 0.185 1.00 0.00 N flip ATOM 0 H GLN A 53 7.064 -13.247 2.151 1.00 0.00 H new ATOM 0 HA GLN A 53 4.619 -13.950 0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.489 -15.378 2.808 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.073 -16.145 2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.446 -16.411 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.995 -16.298 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.962 -14.712 0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.737 -13.363 -0.298 1.00 0.00 H new ATOM 766 N HIS A 54 4.500 -13.175 4.028 1.00 0.00 N ATOM 767 CA HIS A 54 3.614 -12.963 5.166 1.00 0.00 C ATOM 768 C HIS A 54 2.581 -11.883 4.856 1.00 0.00 C ATOM 769 O HIS A 54 1.477 -11.892 5.400 1.00 0.00 O ATOM 770 CB HIS A 54 4.423 -12.570 6.403 1.00 0.00 C ATOM 771 CG HIS A 54 4.876 -13.741 7.219 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.335 -13.624 8.513 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.937 -15.059 6.917 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.661 -14.819 8.972 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.428 -15.708 8.023 1.00 0.00 N ATOM 0 H HIS A 54 5.422 -12.750 4.127 1.00 0.00 H new ATOM 0 HA HIS A 54 3.089 -13.897 5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.296 -11.997 6.089 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.819 -11.914 7.029 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.652 -15.515 5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.052 -15.033 9.956 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.587 -16.713 8.099 1.00 0.00 H new ATOM 784 N PHE A 55 2.947 -10.955 3.978 1.00 0.00 N ATOM 785 CA PHE A 55 2.053 -9.868 3.597 1.00 0.00 C ATOM 786 C PHE A 55 0.981 -10.360 2.630 1.00 0.00 C ATOM 787 O PHE A 55 -0.191 -9.999 2.749 1.00 0.00 O ATOM 788 CB PHE A 55 2.848 -8.726 2.958 1.00 0.00 C ATOM 789 CG PHE A 55 2.133 -8.067 1.813 1.00 0.00 C ATOM 790 CD1 PHE A 55 1.001 -7.299 2.036 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.593 -8.214 0.515 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.341 -6.692 0.984 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.939 -7.608 -0.541 1.00 0.00 C ATOM 794 CZ PHE A 55 0.812 -6.846 -0.305 1.00 0.00 C ATOM 0 H PHE A 55 3.857 -10.934 3.517 1.00 0.00 H new ATOM 0 HA PHE A 55 1.563 -9.500 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.068 -7.977 3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.804 -9.112 2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.631 -7.173 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.474 -8.810 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.542 -6.098 1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.309 -7.730 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.299 -6.371 -1.128 1.00 0.00 H new ATOM 804 N ILE A 56 1.390 -11.185 1.672 1.00 0.00 N ATOM 805 CA ILE A 56 0.465 -11.726 0.684 1.00 0.00 C ATOM 806 C ILE A 56 -0.528 -12.687 1.330 1.00 0.00 C ATOM 807 O ILE A 56 -1.568 -13.001 0.752 1.00 0.00 O ATOM 808 CB ILE A 56 1.213 -12.461 -0.445 1.00 0.00 C ATOM 809 CG1 ILE A 56 2.155 -11.499 -1.172 1.00 0.00 C ATOM 810 CG2 ILE A 56 0.223 -13.080 -1.420 1.00 0.00 C ATOM 811 CD1 ILE A 56 3.122 -12.193 -2.106 1.00 0.00 C ATOM 0 H ILE A 56 2.356 -11.493 1.559 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.075 -10.879 0.260 1.00 0.00 H new ATOM 0 HB ILE A 56 1.809 -13.261 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.562 -10.783 -1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.720 -10.929 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.766 -13.596 -2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.411 -13.792 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.397 -12.296 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.759 -11.451 -2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.740 -12.889 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.564 -12.740 -2.866 1.00 0.00 H new ATOM 823 N GLN A 57 -0.200 -13.148 2.532 1.00 0.00 N ATOM 824 CA GLN A 57 -1.064 -14.072 3.257 1.00 0.00 C ATOM 825 C GLN A 57 -2.132 -13.317 4.043 1.00 0.00 C ATOM 826 O GLN A 57 -2.936 -13.921 4.753 1.00 0.00 O ATOM 827 CB GLN A 57 -0.236 -14.942 4.204 1.00 0.00 C ATOM 828 CG GLN A 57 0.401 -16.144 3.527 1.00 0.00 C ATOM 829 CD GLN A 57 -0.538 -16.832 2.556 1.00 0.00 C ATOM 830 OE1 GLN A 57 -1.311 -17.711 2.939 1.00 0.00 O ATOM 831 NE2 GLN A 57 -0.477 -16.436 1.290 1.00 0.00 N ATOM 0 H GLN A 57 0.657 -12.897 3.024 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.561 -14.712 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.547 -14.331 4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.875 -15.289 5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.297 -15.824 2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.719 -16.858 4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.178 -15.704 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.085 -16.864 0.592 1.00 0.00 H new ATOM 840 N GLN A 58 -2.131 -11.994 3.912 1.00 0.00 N ATOM 841 CA GLN A 58 -3.098 -11.157 4.611 1.00 0.00 C ATOM 842 C GLN A 58 -4.138 -10.602 3.643 1.00 0.00 C ATOM 843 O GLN A 58 -5.286 -10.363 4.020 1.00 0.00 O ATOM 844 CB GLN A 58 -2.386 -10.009 5.328 1.00 0.00 C ATOM 845 CG GLN A 58 -1.027 -10.391 5.889 1.00 0.00 C ATOM 846 CD GLN A 58 -1.121 -11.037 7.259 1.00 0.00 C ATOM 847 OE1 GLN A 58 -2.085 -10.822 7.993 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.117 -11.832 7.609 1.00 0.00 N ATOM 0 H GLN A 58 -1.471 -11.479 3.328 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.609 -11.775 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.262 -9.179 4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.018 -9.652 6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.534 -11.078 5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.401 -9.501 5.953 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.662 -11.982 6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.125 -12.293 8.519 1.00 0.00 H new ATOM 857 N CYS A 59 -3.728 -10.398 2.396 1.00 0.00 N ATOM 858 CA CYS A 59 -4.624 -9.869 1.374 1.00 0.00 C ATOM 859 C CYS A 59 -5.594 -10.943 0.893 1.00 0.00 C ATOM 860 O CYS A 59 -5.186 -11.956 0.322 1.00 0.00 O ATOM 861 CB CYS A 59 -3.819 -9.327 0.191 1.00 0.00 C ATOM 862 SG CYS A 59 -2.593 -8.077 0.645 1.00 0.00 S ATOM 0 H CYS A 59 -2.781 -10.591 2.068 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.199 -9.056 1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.311 -10.157 -0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.507 -8.898 -0.537 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.412 -8.471 0.270 1.00 0.00 H new ATOM 868 N THR A 60 -6.884 -10.718 1.129 1.00 0.00 N ATOM 869 CA THR A 60 -7.912 -11.666 0.723 1.00 0.00 C ATOM 870 C THR A 60 -9.033 -10.969 -0.039 1.00 0.00 C ATOM 871 O THR A 60 -9.073 -9.741 -0.118 1.00 0.00 O ATOM 872 CB THR A 60 -8.512 -12.398 1.939 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.296 -11.490 2.720 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.415 -13.001 2.804 1.00 0.00 C ATOM 0 H THR A 60 -7.240 -9.886 1.600 1.00 0.00 H new ATOM 0 HA THR A 60 -7.431 -12.394 0.070 1.00 0.00 H new ATOM 0 HB THR A 60 -9.148 -13.204 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.675 -11.964 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.863 -13.512 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.838 -13.714 2.215 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.757 -12.209 3.161 1.00 0.00 H new ATOM 882 N ASP A 61 -9.942 -11.759 -0.598 1.00 0.00 N ATOM 883 CA ASP A 61 -11.066 -11.217 -1.355 1.00 0.00 C ATOM 884 C ASP A 61 -12.138 -10.672 -0.417 1.00 0.00 C ATOM 885 O ASP A 61 -13.173 -10.179 -0.863 1.00 0.00 O ATOM 886 CB ASP A 61 -11.663 -12.294 -2.262 1.00 0.00 C ATOM 887 CG ASP A 61 -11.955 -13.582 -1.519 1.00 0.00 C ATOM 888 OD1 ASP A 61 -12.525 -13.512 -0.411 1.00 0.00 O ATOM 889 OD2 ASP A 61 -11.612 -14.661 -2.046 1.00 0.00 O ATOM 0 H ASP A 61 -9.924 -12.777 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.697 -10.397 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.584 -11.919 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.973 -12.499 -3.080 1.00 0.00 H new ATOM 894 N ASP A 62 -11.884 -10.766 0.884 1.00 0.00 N ATOM 895 CA ASP A 62 -12.827 -10.282 1.884 1.00 0.00 C ATOM 896 C ASP A 62 -12.195 -9.191 2.744 1.00 0.00 C ATOM 897 O ASP A 62 -12.681 -8.886 3.833 1.00 0.00 O ATOM 898 CB ASP A 62 -13.301 -11.435 2.770 1.00 0.00 C ATOM 899 CG ASP A 62 -14.138 -12.444 2.008 1.00 0.00 C ATOM 900 OD1 ASP A 62 -15.083 -12.023 1.309 1.00 0.00 O ATOM 901 OD2 ASP A 62 -13.846 -13.654 2.109 1.00 0.00 O ATOM 0 H ASP A 62 -11.032 -11.173 1.270 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.685 -9.858 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.435 -11.937 3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.884 -11.036 3.600 1.00 0.00 H new ATOM 906 N VAL A 63 -11.110 -8.607 2.247 1.00 0.00 N ATOM 907 CA VAL A 63 -10.412 -7.550 2.969 1.00 0.00 C ATOM 908 C VAL A 63 -9.677 -6.622 2.009 1.00 0.00 C ATOM 909 O VAL A 63 -9.283 -7.028 0.916 1.00 0.00 O ATOM 910 CB VAL A 63 -9.402 -8.131 3.977 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.385 -9.012 3.267 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.710 -7.013 4.741 1.00 0.00 C ATOM 0 H VAL A 63 -10.695 -8.848 1.347 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.170 -6.983 3.510 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.944 -8.748 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.680 -9.413 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.900 -9.834 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.845 -8.421 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.000 -7.441 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.180 -6.368 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.453 -6.428 5.282 1.00 0.00 H new ATOM 922 N ARG A 64 -9.497 -5.373 2.425 1.00 0.00 N ATOM 923 CA ARG A 64 -8.809 -4.385 1.601 1.00 0.00 C ATOM 924 C ARG A 64 -7.976 -3.442 2.464 1.00 0.00 C ATOM 925 O ARG A 64 -8.428 -2.981 3.512 1.00 0.00 O ATOM 926 CB ARG A 64 -9.821 -3.582 0.780 1.00 0.00 C ATOM 927 CG ARG A 64 -10.617 -2.583 1.604 1.00 0.00 C ATOM 928 CD ARG A 64 -11.714 -3.268 2.404 1.00 0.00 C ATOM 929 NE ARG A 64 -11.961 -2.601 3.679 1.00 0.00 N ATOM 930 CZ ARG A 64 -12.218 -3.248 4.810 1.00 0.00 C ATOM 931 NH1 ARG A 64 -12.259 -4.573 4.824 1.00 0.00 N ATOM 932 NH2 ARG A 64 -12.431 -2.570 5.930 1.00 0.00 N ATOM 0 H ARG A 64 -9.818 -5.021 3.327 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.140 -4.916 0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.293 -3.049 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.511 -4.272 0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.947 -2.054 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.059 -1.836 0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.634 -3.283 1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.435 -4.306 2.586 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.935 -1.582 3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.093 -5.097 3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.457 -5.068 5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.398 -1.551 5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.628 -3.068 6.798 1.00 0.00 H new ATOM 946 N LEU A 65 -6.757 -3.162 2.017 1.00 0.00 N ATOM 947 CA LEU A 65 -5.859 -2.275 2.748 1.00 0.00 C ATOM 948 C LEU A 65 -4.594 -1.996 1.943 1.00 0.00 C ATOM 949 O LEU A 65 -4.298 -2.692 0.972 1.00 0.00 O ATOM 950 CB LEU A 65 -5.491 -2.890 4.100 1.00 0.00 C ATOM 951 CG LEU A 65 -4.950 -4.318 4.036 1.00 0.00 C ATOM 952 CD1 LEU A 65 -6.037 -5.281 3.584 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.750 -4.391 3.105 1.00 0.00 C ATOM 0 H LEU A 65 -6.368 -3.536 1.152 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.378 -1.331 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.745 -2.256 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.374 -2.881 4.739 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.628 -4.610 5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.633 -6.293 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.868 -5.249 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.390 -4.992 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.377 -5.415 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.047 -4.080 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.964 -3.731 3.472 1.00 0.00 H new ATOM 965 N PHE A 66 -3.853 -0.972 2.352 1.00 0.00 N ATOM 966 CA PHE A 66 -2.620 -0.600 1.669 1.00 0.00 C ATOM 967 C PHE A 66 -1.459 -1.483 2.119 1.00 0.00 C ATOM 968 O PHE A 66 -1.500 -2.079 3.195 1.00 0.00 O ATOM 969 CB PHE A 66 -2.289 0.870 1.935 1.00 0.00 C ATOM 970 CG PHE A 66 -3.456 1.793 1.732 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.424 1.933 2.714 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.585 2.522 0.562 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.499 2.781 2.530 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.658 3.372 0.372 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.617 3.503 1.359 1.00 0.00 C ATOM 0 H PHE A 66 -4.085 -0.385 3.153 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.770 -0.745 0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.928 0.973 2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.475 1.176 1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.337 1.373 3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.838 2.425 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.247 2.879 3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.747 3.933 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.456 4.168 1.215 1.00 0.00 H new ATOM 985 N ALA A 67 -0.427 -1.564 1.286 1.00 0.00 N ATOM 986 CA ALA A 67 0.745 -2.372 1.598 1.00 0.00 C ATOM 987 C ALA A 67 2.012 -1.743 1.029 1.00 0.00 C ATOM 988 O ALA A 67 2.292 -1.856 -0.166 1.00 0.00 O ATOM 989 CB ALA A 67 0.568 -3.785 1.062 1.00 0.00 C ATOM 0 H ALA A 67 -0.379 -1.080 0.390 1.00 0.00 H new ATOM 0 HA ALA A 67 0.848 -2.416 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.450 -4.378 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.310 -4.240 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.437 -3.750 -0.020 1.00 0.00 H new ATOM 995 N PHE A 68 2.776 -1.081 1.891 1.00 0.00 N ATOM 996 CA PHE A 68 4.015 -0.433 1.474 1.00 0.00 C ATOM 997 C PHE A 68 5.198 -1.386 1.603 1.00 0.00 C ATOM 998 O PHE A 68 5.522 -1.848 2.697 1.00 0.00 O ATOM 999 CB PHE A 68 4.264 0.824 2.310 1.00 0.00 C ATOM 1000 CG PHE A 68 5.586 1.479 2.028 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.767 0.902 2.467 1.00 0.00 C ATOM 1002 CD2 PHE A 68 5.648 2.672 1.326 1.00 0.00 C ATOM 1003 CE1 PHE A 68 7.985 1.501 2.210 1.00 0.00 C ATOM 1004 CE2 PHE A 68 6.864 3.275 1.065 1.00 0.00 C ATOM 1005 CZ PHE A 68 8.033 2.691 1.509 1.00 0.00 C ATOM 0 H PHE A 68 2.560 -0.979 2.883 1.00 0.00 H new ATOM 0 HA PHE A 68 3.913 -0.150 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.465 1.541 2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.215 0.563 3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.735 -0.027 3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.736 3.136 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.898 1.040 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.899 4.203 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.984 3.163 1.309 1.00 0.00 H new ATOM 1015 N VAL A 69 5.840 -1.679 0.476 1.00 0.00 N ATOM 1016 CA VAL A 69 6.989 -2.577 0.461 1.00 0.00 C ATOM 1017 C VAL A 69 8.221 -1.886 -0.109 1.00 0.00 C ATOM 1018 O VAL A 69 8.120 -1.079 -1.034 1.00 0.00 O ATOM 1019 CB VAL A 69 6.698 -3.846 -0.362 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.847 -4.837 -0.241 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.388 -4.480 0.080 1.00 0.00 C ATOM 0 H VAL A 69 5.584 -1.307 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 69 7.183 -2.860 1.496 1.00 0.00 H new ATOM 0 HB VAL A 69 6.602 -3.563 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.623 -5.727 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.764 -4.378 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.978 -5.116 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.199 -5.375 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.452 -4.749 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.573 -3.770 -0.065 1.00 0.00 H new ATOM 1031 N ARG A 70 9.384 -2.205 0.448 1.00 0.00 N ATOM 1032 CA ARG A 70 10.637 -1.613 -0.005 1.00 0.00 C ATOM 1033 C ARG A 70 11.347 -2.534 -0.992 1.00 0.00 C ATOM 1034 O ARG A 70 11.686 -3.671 -0.665 1.00 0.00 O ATOM 1035 CB ARG A 70 11.551 -1.326 1.188 1.00 0.00 C ATOM 1036 CG ARG A 70 12.963 -0.929 0.792 1.00 0.00 C ATOM 1037 CD ARG A 70 13.844 -0.708 2.012 1.00 0.00 C ATOM 1038 NE ARG A 70 15.264 -0.788 1.684 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.232 -0.724 2.592 1.00 0.00 C ATOM 1040 NH1 ARG A 70 15.935 -0.581 3.876 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.503 -0.806 2.215 1.00 0.00 N ATOM 0 H ARG A 70 9.485 -2.871 1.214 1.00 0.00 H new ATOM 0 HA ARG A 70 10.405 -0.676 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.113 -0.528 1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.596 -2.212 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.398 -1.707 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.932 -0.018 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.626 0.269 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.605 -1.453 2.771 1.00 0.00 H new ATOM 0 HE ARG A 70 15.527 -0.899 0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.960 -0.520 4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.681 -0.532 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.736 -0.918 1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.246 -0.757 2.912 1.00 0.00 H new ATOM 1239 N PHE A 83 10.080 1.936 -3.594 1.00 0.00 N ATOM 1240 CA PHE A 83 8.912 1.547 -2.812 1.00 0.00 C ATOM 1241 C PHE A 83 7.630 1.738 -3.617 1.00 0.00 C ATOM 1242 O PHE A 83 7.653 2.281 -4.721 1.00 0.00 O ATOM 1243 CB PHE A 83 8.843 2.365 -1.520 1.00 0.00 C ATOM 1244 CG PHE A 83 10.175 2.539 -0.849 1.00 0.00 C ATOM 1245 CD1 PHE A 83 11.080 3.483 -1.310 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.523 1.761 0.243 1.00 0.00 C ATOM 1247 CE1 PHE A 83 12.306 3.647 -0.695 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.748 1.921 0.863 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.641 2.863 0.392 1.00 0.00 C ATOM 0 HA PHE A 83 9.008 0.491 -2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.426 3.347 -1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.157 1.878 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.823 4.098 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.829 1.021 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 83 13.001 4.387 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.006 1.310 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.600 2.987 0.873 1.00 0.00 H new ATOM 1259 N ALA A 84 6.513 1.287 -3.056 1.00 0.00 N ATOM 1260 CA ALA A 84 5.222 1.408 -3.719 1.00 0.00 C ATOM 1261 C ALA A 84 4.084 1.006 -2.786 1.00 0.00 C ATOM 1262 O ALA A 84 4.089 -0.088 -2.223 1.00 0.00 O ATOM 1263 CB ALA A 84 5.196 0.560 -4.982 1.00 0.00 C ATOM 0 H ALA A 84 6.477 0.834 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 84 5.079 2.453 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.225 0.660 -5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.978 0.897 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.366 -0.485 -4.722 1.00 0.00 H new ATOM 1269 N LEU A 85 3.113 1.898 -2.626 1.00 0.00 N ATOM 1270 CA LEU A 85 1.969 1.636 -1.760 1.00 0.00 C ATOM 1271 C LEU A 85 0.989 0.677 -2.428 1.00 0.00 C ATOM 1272 O LEU A 85 0.079 1.101 -3.141 1.00 0.00 O ATOM 1273 CB LEU A 85 1.260 2.945 -1.406 1.00 0.00 C ATOM 1274 CG LEU A 85 0.394 2.893 -0.148 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.167 2.274 1.007 1.00 0.00 C ATOM 1276 CD2 LEU A 85 -0.092 4.286 0.222 1.00 0.00 C ATOM 0 H LEU A 85 3.095 2.809 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 85 2.337 1.171 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.011 3.724 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.634 3.240 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.475 2.268 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.534 2.245 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.467 1.260 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.054 2.873 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.707 4.230 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.765 4.933 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.683 4.695 -0.598 1.00 0.00 H new ATOM 1288 N ILE A 86 1.182 -0.616 -2.193 1.00 0.00 N ATOM 1289 CA ILE A 86 0.314 -1.635 -2.771 1.00 0.00 C ATOM 1290 C ILE A 86 -1.070 -1.606 -2.133 1.00 0.00 C ATOM 1291 O ILE A 86 -1.271 -2.125 -1.034 1.00 0.00 O ATOM 1292 CB ILE A 86 0.913 -3.044 -2.606 1.00 0.00 C ATOM 1293 CG1 ILE A 86 2.105 -3.229 -3.547 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.146 -4.104 -2.869 1.00 0.00 C ATOM 1295 CD1 ILE A 86 3.148 -4.190 -3.020 1.00 0.00 C ATOM 0 H ILE A 86 1.931 -0.983 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 86 0.226 -1.408 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 86 1.264 -3.156 -1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.744 -3.589 -4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.572 -2.260 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.293 -5.094 -2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.966 -3.982 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.524 -3.996 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.963 -4.272 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.537 -3.821 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.696 -5.171 -2.870 1.00 0.00 H new ATOM 1307 N THR A 87 -2.024 -0.996 -2.828 1.00 0.00 N ATOM 1308 CA THR A 87 -3.390 -0.898 -2.330 1.00 0.00 C ATOM 1309 C THR A 87 -4.197 -2.140 -2.693 1.00 0.00 C ATOM 1310 O THR A 87 -4.659 -2.282 -3.824 1.00 0.00 O ATOM 1311 CB THR A 87 -4.105 0.346 -2.891 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.480 1.535 -2.395 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.577 0.344 -2.506 1.00 0.00 C ATOM 0 H THR A 87 -1.876 -0.562 -3.739 1.00 0.00 H new ATOM 0 HA THR A 87 -3.326 -0.813 -1.245 1.00 0.00 H new ATOM 0 HB THR A 87 -4.030 0.322 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.621 2.268 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.061 1.232 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.057 -0.548 -2.909 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.669 0.347 -1.420 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.364 -3.034 -1.725 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.116 -4.264 -1.943 1.00 0.00 C ATOM 1323 C TRP A 88 -6.610 -4.030 -1.747 1.00 0.00 C ATOM 1324 O TRP A 88 -7.018 -3.259 -0.878 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.629 -5.359 -0.992 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.502 -6.578 -0.994 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.280 -7.030 0.033 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.683 -7.501 -2.074 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.934 -8.179 -0.344 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.584 -8.488 -1.632 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.171 -7.589 -3.371 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -6.984 -9.548 -2.442 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.567 -8.641 -4.174 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.467 -9.609 -3.707 1.00 0.00 C ATOM 0 H TRP A 88 -3.989 -2.930 -0.782 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.950 -4.585 -2.971 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.615 -5.647 -1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.581 -4.957 0.020 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.369 -6.555 0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.576 -8.715 0.240 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.478 -6.847 -3.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.677 -10.295 -2.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.177 -8.719 -5.178 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.758 -10.419 -4.359 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.421 -4.700 -2.559 1.00 0.00 N ATOM 1346 CA ILE A 89 -8.870 -4.565 -2.472 1.00 0.00 C ATOM 1347 C ILE A 89 -9.568 -5.849 -2.907 1.00 0.00 C ATOM 1348 O ILE A 89 -9.731 -6.108 -4.098 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.379 -3.399 -3.339 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.643 -2.107 -2.977 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -10.881 -3.226 -3.165 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -8.927 -0.964 -3.926 1.00 0.00 C ATOM 0 H ILE A 89 -7.100 -5.341 -3.284 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.106 -4.361 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.178 -3.629 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.925 -1.809 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.570 -2.301 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.226 -2.398 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.390 -4.141 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.104 -3.015 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.372 -0.081 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.619 -1.243 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.994 -0.743 -3.921 1.00 0.00 H new ATOM 1364 N GLY A 90 -9.982 -6.651 -1.930 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.660 -7.898 -2.232 1.00 0.00 C ATOM 1366 C GLY A 90 -11.508 -7.809 -3.485 1.00 0.00 C ATOM 1367 O GLY A 90 -12.188 -6.809 -3.712 1.00 0.00 O ATOM 0 H GLY A 90 -9.860 -6.459 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.921 -8.690 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.292 -8.178 -1.389 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.467 -8.857 -4.302 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.235 -8.890 -5.541 1.00 0.00 C ATOM 1373 C GLU A 91 -13.686 -9.276 -5.270 1.00 0.00 C ATOM 1374 O GLU A 91 -14.447 -9.558 -6.196 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.609 -9.878 -6.528 1.00 0.00 C ATOM 1376 CG GLU A 91 -11.826 -9.501 -7.985 1.00 0.00 C ATOM 1377 CD GLU A 91 -10.699 -9.974 -8.883 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -9.590 -9.408 -8.794 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -10.928 -10.912 -9.677 1.00 0.00 O ATOM 0 H GLU A 91 -10.910 -9.694 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.218 -7.891 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.538 -9.944 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.027 -10.869 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.766 -9.930 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.921 -8.418 -8.066 1.00 0.00 H new ATOM 1386 N ASP A 92 -14.062 -9.286 -3.996 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.421 -9.637 -3.602 1.00 0.00 C ATOM 1388 C ASP A 92 -16.099 -8.468 -2.893 1.00 0.00 C ATOM 1389 O ASP A 92 -17.322 -8.326 -2.940 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.411 -10.866 -2.692 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.742 -11.591 -2.684 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.628 -11.198 -1.896 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -16.898 -12.553 -3.464 1.00 0.00 O ATOM 0 H ASP A 92 -13.444 -9.055 -3.218 1.00 0.00 H new ATOM 0 HA ASP A 92 -15.986 -9.869 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.629 -11.551 -3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -15.161 -10.560 -1.676 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.298 -7.635 -2.237 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.821 -6.480 -1.518 1.00 0.00 C ATOM 1400 C VAL A 93 -16.753 -5.659 -2.402 1.00 0.00 C ATOM 1401 O VAL A 93 -16.555 -5.565 -3.613 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.685 -5.574 -1.010 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -13.812 -6.321 -0.013 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.854 -5.057 -2.175 1.00 0.00 C ATOM 0 H VAL A 93 -14.284 -7.739 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.379 -6.865 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 93 -15.127 -4.718 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.014 -5.665 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.418 -6.637 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.377 -7.197 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -13.056 -4.418 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.420 -5.899 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.490 -4.483 -2.849 1.00 0.00 H new ATOM 1414 N SER A 94 -17.772 -5.067 -1.788 1.00 0.00 N ATOM 1415 CA SER A 94 -18.739 -4.255 -2.518 1.00 0.00 C ATOM 1416 C SER A 94 -18.065 -3.034 -3.137 1.00 0.00 C ATOM 1417 O SER A 94 -17.141 -2.462 -2.560 1.00 0.00 O ATOM 1418 CB SER A 94 -19.871 -3.812 -1.591 1.00 0.00 C ATOM 1419 OG SER A 94 -20.782 -2.963 -2.267 1.00 0.00 O ATOM 0 H SER A 94 -17.950 -5.134 -0.786 1.00 0.00 H new ATOM 0 HA SER A 94 -19.155 -4.865 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.398 -4.687 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.456 -3.291 -0.728 1.00 0.00 H new ATOM 0 HG SER A 94 -21.497 -2.695 -1.653 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.536 -2.639 -4.316 1.00 0.00 N ATOM 1426 CA GLY A 95 -17.969 -1.489 -4.995 1.00 0.00 C ATOM 1427 C GLY A 95 -17.523 -0.408 -4.030 1.00 0.00 C ATOM 1428 O GLY A 95 -16.353 -0.028 -4.011 1.00 0.00 O ATOM 0 H GLY A 95 -19.301 -3.096 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.118 -1.809 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.707 -1.076 -5.682 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.458 0.088 -3.227 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.156 1.133 -2.256 1.00 0.00 C ATOM 1434 C LEU A 96 -16.743 0.971 -1.704 1.00 0.00 C ATOM 1435 O LEU A 96 -15.854 1.766 -2.006 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.170 1.102 -1.110 1.00 0.00 C ATOM 1437 CG LEU A 96 -19.288 2.402 -0.315 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -19.262 3.603 -1.247 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -20.561 2.402 0.520 1.00 0.00 C ATOM 0 H LEU A 96 -19.431 -0.217 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.221 2.095 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.150 0.854 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.897 0.299 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.434 2.472 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.347 4.519 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.324 3.613 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -20.096 3.540 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.629 3.335 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -21.426 2.308 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -20.540 1.563 1.215 1.00 0.00 H new ATOM 1451 N GLN A 97 -16.545 -0.064 -0.893 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.241 -0.330 -0.299 1.00 0.00 C ATOM 1453 C GLN A 97 -14.121 -0.052 -1.296 1.00 0.00 C ATOM 1454 O GLN A 97 -13.074 0.481 -0.935 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.163 -1.779 0.185 1.00 0.00 C ATOM 1456 CG GLN A 97 -15.759 -1.992 1.567 1.00 0.00 C ATOM 1457 CD GLN A 97 -14.732 -1.848 2.673 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -14.361 -2.827 3.322 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -14.266 -0.625 2.894 1.00 0.00 N ATOM 0 H GLN A 97 -17.271 -0.731 -0.633 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.116 0.337 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.682 -2.420 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.120 -2.094 0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -16.563 -1.273 1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -16.205 -2.985 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.601 0.158 2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.573 -0.468 3.625 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.351 -0.421 -2.552 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.360 -0.213 -3.602 1.00 0.00 C ATOM 1470 C ARG A 98 -13.338 1.245 -4.048 1.00 0.00 C ATOM 1471 O ARG A 98 -12.289 1.779 -4.409 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.657 -1.120 -4.798 1.00 0.00 C ATOM 1473 CG ARG A 98 -12.737 -0.882 -5.984 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.304 0.164 -6.930 1.00 0.00 C ATOM 1475 NE ARG A 98 -14.193 -0.424 -7.928 1.00 0.00 N ATOM 1476 CZ ARG A 98 -14.470 0.149 -9.094 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -13.931 1.319 -9.407 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -15.289 -0.449 -9.951 1.00 0.00 N ATOM 0 H ARG A 98 -15.214 -0.865 -2.867 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.380 -0.465 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.571 -2.160 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.689 -0.966 -5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.759 -0.559 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.587 -1.818 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.849 0.914 -6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.486 0.680 -7.433 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.625 -1.324 -7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.301 1.782 -8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.146 1.756 -10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.706 -1.349 -9.714 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.501 -0.008 -10.846 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.502 1.885 -4.020 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.617 3.283 -4.421 1.00 0.00 C ATOM 1494 C ALA A 99 -14.156 4.212 -3.304 1.00 0.00 C ATOM 1495 O ALA A 99 -13.873 5.388 -3.537 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.050 3.602 -4.818 1.00 0.00 C ATOM 0 H ALA A 99 -15.380 1.458 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.969 3.443 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.121 4.648 -5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.346 2.967 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.711 3.419 -3.971 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.082 3.679 -2.089 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.654 4.460 -0.935 1.00 0.00 C ATOM 1504 C LYS A 100 -12.172 4.242 -0.648 1.00 0.00 C ATOM 1505 O LYS A 100 -11.410 5.198 -0.497 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.484 4.086 0.296 1.00 0.00 C ATOM 1507 CG LYS A 100 -15.963 4.395 0.150 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.270 5.841 0.499 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.067 6.758 -0.697 1.00 0.00 C ATOM 1510 NZ LYS A 100 -16.926 7.972 -0.618 1.00 0.00 N ATOM 0 H LYS A 100 -14.313 2.708 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 100 -13.809 5.514 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.362 3.021 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.094 4.620 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.278 4.193 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.539 3.734 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.299 5.921 0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.628 6.163 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -15.020 7.057 -0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -16.291 6.214 -1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.758 8.571 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.926 7.688 -0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.694 8.506 0.244 1.00 0.00 H new ATOM 1524 N THR A 101 -11.768 2.978 -0.575 1.00 0.00 N ATOM 1525 CA THR A 101 -10.378 2.634 -0.307 1.00 0.00 C ATOM 1526 C THR A 101 -9.432 3.447 -1.183 1.00 0.00 C ATOM 1527 O THR A 101 -8.319 3.775 -0.774 1.00 0.00 O ATOM 1528 CB THR A 101 -10.115 1.134 -0.541 1.00 0.00 C ATOM 1529 OG1 THR A 101 -10.967 0.350 0.301 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.660 0.789 -0.261 1.00 0.00 C ATOM 0 H THR A 101 -12.385 2.175 -0.698 1.00 0.00 H new ATOM 0 HA THR A 101 -10.191 2.869 0.741 1.00 0.00 H new ATOM 0 HB THR A 101 -10.330 0.909 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.659 -0.081 -0.244 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.499 -0.275 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.015 1.366 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.422 1.029 0.775 1.00 0.00 H new ATOM 1538 N GLY A 102 -9.882 3.770 -2.392 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.063 4.543 -3.306 1.00 0.00 C ATOM 1540 C GLY A 102 -9.092 6.026 -2.998 1.00 0.00 C ATOM 1541 O GLY A 102 -8.136 6.748 -3.285 1.00 0.00 O ATOM 0 H GLY A 102 -10.799 3.510 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.034 4.185 -3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.410 4.380 -4.326 1.00 0.00 H new ATOM 1545 N THR A 103 -10.192 6.487 -2.412 1.00 0.00 N ATOM 1546 CA THR A 103 -10.343 7.894 -2.067 1.00 0.00 C ATOM 1547 C THR A 103 -9.601 8.227 -0.778 1.00 0.00 C ATOM 1548 O THR A 103 -9.074 9.329 -0.621 1.00 0.00 O ATOM 1549 CB THR A 103 -11.827 8.278 -1.905 1.00 0.00 C ATOM 1550 OG1 THR A 103 -12.518 8.098 -3.146 1.00 0.00 O ATOM 1551 CG2 THR A 103 -11.966 9.721 -1.444 1.00 0.00 C ATOM 0 H THR A 103 -10.993 5.905 -2.166 1.00 0.00 H new ATOM 0 HA THR A 103 -9.915 8.468 -2.889 1.00 0.00 H new ATOM 0 HB THR A 103 -12.267 7.629 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.914 7.202 -3.173 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.022 9.969 -1.337 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.465 9.846 -0.484 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.511 10.384 -2.180 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.563 7.270 0.141 1.00 0.00 N ATOM 1560 CA ASP A 104 -8.882 7.461 1.417 1.00 0.00 C ATOM 1561 C ASP A 104 -7.372 7.323 1.253 1.00 0.00 C ATOM 1562 O ASP A 104 -6.615 7.490 2.210 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.390 6.450 2.446 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.867 6.618 2.744 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.303 7.770 2.953 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.587 5.598 2.765 1.00 0.00 O ATOM 0 H ASP A 104 -9.996 6.353 0.027 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.100 8.469 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.209 5.440 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.821 6.559 3.370 1.00 0.00 H new ATOM 1571 N LYS A 105 -6.940 7.017 0.035 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.520 6.857 -0.256 1.00 0.00 C ATOM 1573 C LYS A 105 -4.754 8.140 0.051 1.00 0.00 C ATOM 1574 O LYS A 105 -3.620 8.100 0.531 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.319 6.469 -1.722 1.00 0.00 C ATOM 1576 CG LYS A 105 -4.047 7.031 -2.332 1.00 0.00 C ATOM 1577 CD LYS A 105 -4.299 8.362 -3.021 1.00 0.00 C ATOM 1578 CE LYS A 105 -5.119 8.186 -4.289 1.00 0.00 C ATOM 1579 NZ LYS A 105 -4.257 7.970 -5.484 1.00 0.00 N ATOM 0 H LYS A 105 -7.553 6.875 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.132 6.062 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.301 5.382 -1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.174 6.817 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.295 7.160 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.642 6.319 -3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.821 9.033 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -3.347 8.833 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.793 7.338 -4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.740 9.068 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.740 8.332 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.356 8.474 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.072 6.953 -5.599 1.00 0.00 H new ATOM 1593 N THR A 106 -5.380 9.279 -0.229 1.00 0.00 N ATOM 1594 CA THR A 106 -4.758 10.574 0.017 1.00 0.00 C ATOM 1595 C THR A 106 -4.323 10.708 1.472 1.00 0.00 C ATOM 1596 O THR A 106 -3.432 11.493 1.794 1.00 0.00 O ATOM 1597 CB THR A 106 -5.713 11.731 -0.330 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.256 11.542 -1.641 1.00 0.00 O ATOM 1599 CG2 THR A 106 -4.989 13.068 -0.264 1.00 0.00 C ATOM 0 H THR A 106 -6.318 9.331 -0.627 1.00 0.00 H new ATOM 0 HA THR A 106 -3.881 10.631 -0.628 1.00 0.00 H new ATOM 0 HB THR A 106 -6.522 11.737 0.400 1.00 0.00 H new ATOM 0 HG1 THR A 106 -6.864 12.281 -1.853 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.683 13.870 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.602 13.223 0.743 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.163 13.070 -0.975 1.00 0.00 H new ATOM 1607 N LEU A 107 -4.957 9.935 2.347 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.636 9.967 3.769 1.00 0.00 C ATOM 1609 C LEU A 107 -3.371 9.165 4.059 1.00 0.00 C ATOM 1610 O LEU A 107 -2.455 9.648 4.725 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.803 9.415 4.590 1.00 0.00 C ATOM 1612 CG LEU A 107 -7.192 9.827 4.099 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -8.242 9.537 5.159 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.206 11.301 3.722 1.00 0.00 C ATOM 0 H LEU A 107 -5.696 9.279 2.096 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.460 11.005 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.743 8.327 4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.688 9.743 5.623 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.432 9.241 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.223 9.837 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.249 8.470 5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.008 10.096 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.201 11.578 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.945 11.902 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.482 11.480 2.928 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.328 7.936 3.554 1.00 0.00 N ATOM 1627 CA VAL A 108 -2.176 7.067 3.757 1.00 0.00 C ATOM 1628 C VAL A 108 -0.924 7.652 3.111 1.00 0.00 C ATOM 1629 O VAL A 108 0.190 7.450 3.595 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.427 5.660 3.182 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.275 4.728 3.530 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.747 5.103 3.694 1.00 0.00 C ATOM 0 H VAL A 108 -4.078 7.520 3.001 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.023 6.990 4.834 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.487 5.735 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.469 3.739 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.349 5.121 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.180 4.655 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.908 4.109 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.718 5.041 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.562 5.760 3.390 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.115 8.379 2.016 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.004 8.996 1.304 1.00 0.00 C ATOM 1644 C LYS A 109 0.649 10.084 2.151 1.00 0.00 C ATOM 1645 O LYS A 109 1.871 10.224 2.163 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.487 9.589 -0.022 1.00 0.00 C ATOM 1647 CG LYS A 109 0.640 10.069 -0.921 1.00 0.00 C ATOM 1648 CD LYS A 109 1.044 11.496 -0.592 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.105 12.468 -0.819 1.00 0.00 C ATOM 1650 NZ LYS A 109 0.372 13.872 -0.942 1.00 0.00 N ATOM 0 H LYS A 109 -2.030 8.555 1.602 1.00 0.00 H new ATOM 0 HA LYS A 109 0.738 8.224 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.071 8.838 -0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.156 10.424 0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.502 9.411 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.326 10.009 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.370 11.553 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.894 11.786 -1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.645 12.187 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.811 12.396 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.441 14.503 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.865 14.149 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.026 13.947 -1.747 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.176 10.852 2.857 1.00 0.00 N ATOM 1665 CA GLU A 110 0.323 11.926 3.708 1.00 0.00 C ATOM 1666 C GLU A 110 1.598 11.502 4.430 1.00 0.00 C ATOM 1667 O GLU A 110 2.550 12.274 4.539 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.742 12.336 4.727 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.117 12.554 4.118 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.094 13.540 2.967 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.602 13.174 1.880 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -2.571 14.680 3.154 1.00 0.00 O ATOM 0 H GLU A 110 -1.191 10.750 2.856 1.00 0.00 H new ATOM 0 HA GLU A 110 0.555 12.780 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.812 11.566 5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.424 13.253 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.510 11.600 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.798 12.916 4.888 1.00 0.00 H new ATOM 1679 N VAL A 111 1.609 10.267 4.923 1.00 0.00 N ATOM 1680 CA VAL A 111 2.766 9.738 5.634 1.00 0.00 C ATOM 1681 C VAL A 111 3.840 9.264 4.662 1.00 0.00 C ATOM 1682 O VAL A 111 5.015 9.605 4.803 1.00 0.00 O ATOM 1683 CB VAL A 111 2.372 8.568 6.556 1.00 0.00 C ATOM 1684 CG1 VAL A 111 3.608 7.937 7.177 1.00 0.00 C ATOM 1685 CG2 VAL A 111 1.405 9.041 7.632 1.00 0.00 C ATOM 0 H VAL A 111 0.829 9.615 4.843 1.00 0.00 H new ATOM 0 HA VAL A 111 3.163 10.552 6.241 1.00 0.00 H new ATOM 0 HB VAL A 111 1.870 7.809 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.309 7.113 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.260 7.561 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.142 8.684 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.137 8.202 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.879 9.819 8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.506 9.441 7.163 1.00 0.00 H new ATOM 1695 N VAL A 112 3.430 8.477 3.673 1.00 0.00 N ATOM 1696 CA VAL A 112 4.356 7.956 2.675 1.00 0.00 C ATOM 1697 C VAL A 112 4.281 8.762 1.383 1.00 0.00 C ATOM 1698 O VAL A 112 3.372 8.572 0.574 1.00 0.00 O ATOM 1699 CB VAL A 112 4.071 6.476 2.362 1.00 0.00 C ATOM 1700 CG1 VAL A 112 2.593 6.267 2.072 1.00 0.00 C ATOM 1701 CG2 VAL A 112 4.924 6.006 1.193 1.00 0.00 C ATOM 0 H VAL A 112 2.461 8.186 3.541 1.00 0.00 H new ATOM 0 HA VAL A 112 5.357 8.043 3.097 1.00 0.00 H new ATOM 0 HB VAL A 112 4.333 5.880 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 112 2.410 5.215 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.006 6.564 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.302 6.872 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 112 4.710 4.958 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.695 6.605 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.979 6.118 1.444 1.00 0.00 H new ATOM 1711 N GLN A 113 5.242 9.661 1.195 1.00 0.00 N ATOM 1712 CA GLN A 113 5.283 10.495 0.000 1.00 0.00 C ATOM 1713 C GLN A 113 6.575 10.267 -0.779 1.00 0.00 C ATOM 1714 O GLN A 113 6.606 10.405 -2.001 1.00 0.00 O ATOM 1715 CB GLN A 113 5.158 11.972 0.379 1.00 0.00 C ATOM 1716 CG GLN A 113 4.066 12.247 1.400 1.00 0.00 C ATOM 1717 CD GLN A 113 3.649 13.704 1.430 1.00 0.00 C ATOM 1718 OE1 GLN A 113 4.168 14.527 0.674 1.00 0.00 O ATOM 1719 NE2 GLN A 113 2.708 14.033 2.307 1.00 0.00 N ATOM 0 H GLN A 113 6.002 9.830 1.854 1.00 0.00 H new ATOM 0 HA GLN A 113 4.442 10.217 -0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.112 12.318 0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 113 4.958 12.554 -0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 113 3.197 11.629 1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 113 4.416 11.953 2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.305 13.319 2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.388 14.999 2.373 1.00 0.00 H new ATOM 1728 N ASN A 114 7.638 9.915 -0.064 1.00 0.00 N ATOM 1729 CA ASN A 114 8.932 9.668 -0.688 1.00 0.00 C ATOM 1730 C ASN A 114 8.860 8.476 -1.636 1.00 0.00 C ATOM 1731 O ASN A 114 9.631 8.379 -2.591 1.00 0.00 O ATOM 1732 CB ASN A 114 9.998 9.421 0.381 1.00 0.00 C ATOM 1733 CG ASN A 114 11.391 9.788 -0.096 1.00 0.00 C ATOM 1734 OD1 ASN A 114 11.823 10.933 0.041 1.00 0.00 O ATOM 1735 ND2 ASN A 114 12.099 8.817 -0.659 1.00 0.00 N ATOM 0 H ASN A 114 7.629 9.794 0.949 1.00 0.00 H new ATOM 0 HA ASN A 114 9.204 10.552 -1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.757 10.002 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.981 8.370 0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.042 9.005 -0.999 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.700 7.883 -0.751 1.00 0.00 H new ATOM 1742 N PHE A 115 7.927 7.568 -1.366 1.00 0.00 N ATOM 1743 CA PHE A 115 7.752 6.381 -2.194 1.00 0.00 C ATOM 1744 C PHE A 115 7.600 6.760 -3.664 1.00 0.00 C ATOM 1745 O PHE A 115 7.806 7.913 -4.043 1.00 0.00 O ATOM 1746 CB PHE A 115 6.531 5.584 -1.732 1.00 0.00 C ATOM 1747 CG PHE A 115 5.254 5.998 -2.408 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.045 7.318 -2.773 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.264 5.067 -2.678 1.00 0.00 C ATOM 1750 CE1 PHE A 115 3.872 7.703 -3.396 1.00 0.00 C ATOM 1751 CE2 PHE A 115 3.091 5.445 -3.300 1.00 0.00 C ATOM 1752 CZ PHE A 115 2.893 6.765 -3.659 1.00 0.00 C ATOM 0 H PHE A 115 7.281 7.632 -0.580 1.00 0.00 H new ATOM 0 HA PHE A 115 8.642 5.761 -2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.706 4.525 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.417 5.701 -0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 115 5.807 8.055 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.412 4.034 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.722 8.735 -3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.328 4.709 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.975 7.062 -4.144 1.00 0.00 H new ATOM 1762 N ALA A 116 7.237 5.781 -4.487 1.00 0.00 N ATOM 1763 CA ALA A 116 7.055 6.013 -5.915 1.00 0.00 C ATOM 1764 C ALA A 116 5.586 6.242 -6.251 1.00 0.00 C ATOM 1765 O ALA A 116 5.193 7.338 -6.649 1.00 0.00 O ATOM 1766 CB ALA A 116 7.605 4.839 -6.714 1.00 0.00 C ATOM 0 H ALA A 116 7.063 4.821 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 116 7.607 6.913 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.463 5.025 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.668 4.723 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.078 3.928 -6.431 1.00 0.00 H new ATOM 1772 N LYS A 117 4.777 5.200 -6.089 1.00 0.00 N ATOM 1773 CA LYS A 117 3.349 5.287 -6.374 1.00 0.00 C ATOM 1774 C LYS A 117 2.600 4.105 -5.767 1.00 0.00 C ATOM 1775 O LYS A 117 3.185 3.053 -5.514 1.00 0.00 O ATOM 1776 CB LYS A 117 3.113 5.332 -7.885 1.00 0.00 C ATOM 1777 CG LYS A 117 1.872 4.577 -8.329 1.00 0.00 C ATOM 1778 CD LYS A 117 2.019 4.047 -9.746 1.00 0.00 C ATOM 1779 CE LYS A 117 1.452 5.021 -10.768 1.00 0.00 C ATOM 1780 NZ LYS A 117 1.740 4.589 -12.164 1.00 0.00 N ATOM 0 H LYS A 117 5.086 4.285 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 117 2.969 6.204 -5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.028 6.372 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.983 4.915 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.686 3.748 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.005 5.236 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.072 3.866 -9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.507 3.089 -9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.374 5.107 -10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.875 6.011 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.338 5.278 -12.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.769 4.532 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.315 3.655 -12.333 1.00 0.00 H new ATOM 1794 N GLU A 118 1.304 4.288 -5.538 1.00 0.00 N ATOM 1795 CA GLU A 118 0.476 3.235 -4.960 1.00 0.00 C ATOM 1796 C GLU A 118 -0.029 2.285 -6.043 1.00 0.00 C ATOM 1797 O GLU A 118 -0.453 2.717 -7.115 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.709 3.843 -4.207 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.639 4.658 -5.091 1.00 0.00 C ATOM 1800 CD GLU A 118 -3.069 4.661 -4.586 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -3.341 3.982 -3.574 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -3.915 5.342 -5.203 1.00 0.00 O ATOM 0 H GLU A 118 0.805 5.154 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 118 1.090 2.668 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.279 3.042 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.332 4.480 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.275 5.684 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.616 4.256 -6.104 1.00 0.00 H new ATOM 1809 N PHE A 119 0.021 0.989 -5.755 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.429 -0.023 -6.703 1.00 0.00 C ATOM 1811 C PHE A 119 -1.733 -0.664 -6.236 1.00 0.00 C ATOM 1812 O PHE A 119 -1.747 -1.453 -5.291 1.00 0.00 O ATOM 1813 CB PHE A 119 0.644 -1.099 -6.881 1.00 0.00 C ATOM 1814 CG PHE A 119 1.854 -0.620 -7.633 1.00 0.00 C ATOM 1815 CD1 PHE A 119 1.969 0.708 -8.012 1.00 0.00 C ATOM 1816 CD2 PHE A 119 2.875 -1.497 -7.959 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.080 1.151 -8.704 1.00 0.00 C ATOM 1818 CE2 PHE A 119 3.989 -1.059 -8.652 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.092 0.267 -9.023 1.00 0.00 C ATOM 0 H PHE A 119 0.369 0.615 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.606 0.466 -7.661 1.00 0.00 H new ATOM 0 HB2 PHE A 119 0.954 -1.457 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.211 -1.949 -7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.182 1.404 -7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.801 -2.535 -7.669 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.157 2.188 -8.995 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.777 -1.753 -8.903 1.00 0.00 H new ATOM 0 HZ PHE A 119 4.962 0.612 -9.562 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.828 -0.317 -6.906 1.00 0.00 N ATOM 1830 CA VAL A 120 -4.138 -0.857 -6.562 1.00 0.00 C ATOM 1831 C VAL A 120 -4.350 -2.228 -7.193 1.00 0.00 C ATOM 1832 O VAL A 120 -4.675 -2.335 -8.377 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.269 0.084 -7.014 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -6.618 -0.436 -6.542 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -5.025 1.495 -6.501 1.00 0.00 C ATOM 0 H VAL A 120 -2.833 0.336 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.166 -0.952 -5.476 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.279 0.114 -8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.405 0.243 -6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.794 -1.426 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.624 -0.498 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -5.834 2.147 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.987 1.485 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -4.078 1.866 -6.893 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.165 -3.276 -6.396 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.338 -4.641 -6.878 1.00 0.00 C ATOM 1847 C ILE A 121 -5.564 -5.294 -6.250 1.00 0.00 C ATOM 1848 O ILE A 121 -5.887 -5.045 -5.088 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.099 -5.505 -6.575 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.830 -4.805 -7.064 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.239 -6.876 -7.222 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.565 -5.321 -6.413 1.00 0.00 C ATOM 0 H ILE A 121 -3.896 -3.206 -5.415 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.474 -4.580 -7.958 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.023 -5.640 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.750 -4.929 -8.144 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.918 -3.736 -6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.356 -7.475 -6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.125 -7.375 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.336 -6.761 -8.302 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.294 -4.779 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.624 -5.172 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.453 -6.384 -6.627 1.00 0.00 H new ATOM 1864 N SER A 122 -6.245 -6.131 -7.027 1.00 0.00 N ATOM 1865 CA SER A 122 -7.439 -6.818 -6.548 1.00 0.00 C ATOM 1866 C SER A 122 -7.239 -8.330 -6.569 1.00 0.00 C ATOM 1867 O SER A 122 -7.961 -9.072 -5.901 1.00 0.00 O ATOM 1868 CB SER A 122 -8.649 -6.440 -7.405 1.00 0.00 C ATOM 1869 OG SER A 122 -8.524 -5.122 -7.910 1.00 0.00 O ATOM 0 H SER A 122 -5.990 -6.349 -7.990 1.00 0.00 H new ATOM 0 HA SER A 122 -7.620 -6.507 -5.519 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.746 -7.142 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.559 -6.520 -6.811 1.00 0.00 H new ATOM 0 HG SER A 122 -9.309 -4.905 -8.456 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.256 -8.781 -7.339 1.00 0.00 N ATOM 1876 CA ASP A 123 -5.959 -10.204 -7.446 1.00 0.00 C ATOM 1877 C ASP A 123 -4.583 -10.518 -6.867 1.00 0.00 C ATOM 1878 O ASP A 123 -3.580 -9.933 -7.273 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.024 -10.651 -8.908 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.443 -12.101 -9.052 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -7.616 -12.413 -8.758 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -5.596 -12.925 -9.458 1.00 0.00 O ATOM 0 H ASP A 123 -5.650 -8.181 -7.899 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.708 -10.750 -6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.728 -10.017 -9.448 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.048 -10.510 -9.372 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.545 -11.446 -5.915 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.293 -11.835 -5.279 1.00 0.00 C ATOM 1889 C ARG A 124 -2.240 -12.194 -6.324 1.00 0.00 C ATOM 1890 O ARG A 124 -1.052 -11.927 -6.140 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.521 -13.022 -4.341 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.168 -12.639 -3.020 1.00 0.00 C ATOM 1893 CD ARG A 124 -3.882 -13.670 -1.939 1.00 0.00 C ATOM 1894 NE ARG A 124 -4.873 -14.741 -1.928 1.00 0.00 N ATOM 1895 CZ ARG A 124 -4.689 -15.920 -2.515 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -3.556 -16.175 -3.155 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -5.639 -16.844 -2.462 1.00 0.00 N ATOM 0 H ARG A 124 -5.366 -11.941 -5.568 1.00 0.00 H new ATOM 0 HA ARG A 124 -2.930 -10.986 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.150 -13.756 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.565 -13.505 -4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.798 -11.664 -2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.245 -12.542 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -2.891 -14.095 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -3.867 -13.180 -0.966 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.755 -14.576 -1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -2.824 -15.466 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.417 -17.080 -3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.512 -16.651 -1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.497 -17.748 -2.913 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.684 -12.801 -7.419 1.00 0.00 N ATOM 1912 CA LYS A 125 -1.782 -13.195 -8.494 1.00 0.00 C ATOM 1913 C LYS A 125 -0.959 -12.007 -8.979 1.00 0.00 C ATOM 1914 O LYS A 125 0.046 -12.175 -9.668 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.574 -13.792 -9.660 1.00 0.00 C ATOM 1916 CG LYS A 125 -1.714 -14.551 -10.655 1.00 0.00 C ATOM 1917 CD LYS A 125 -1.348 -15.931 -10.136 1.00 0.00 C ATOM 1918 CE LYS A 125 0.072 -15.964 -9.594 1.00 0.00 C ATOM 1919 NZ LYS A 125 0.403 -17.281 -8.982 1.00 0.00 N ATOM 0 H LYS A 125 -3.664 -13.031 -7.585 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.100 -13.950 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.336 -14.464 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.096 -12.990 -10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.248 -14.647 -11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.805 -13.985 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.045 -16.222 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.449 -16.661 -10.939 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.773 -15.752 -10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.195 -15.177 -8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.380 -17.262 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.250 -17.472 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.311 -18.030 -9.698 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.394 -10.805 -8.614 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.696 -9.587 -9.013 1.00 0.00 C ATOM 1935 C GLU A 126 0.130 -9.030 -7.857 1.00 0.00 C ATOM 1936 O GLU A 126 1.006 -8.189 -8.054 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.697 -8.534 -9.495 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.234 -8.799 -10.890 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.631 -7.527 -11.614 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -1.882 -6.532 -11.519 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -3.690 -7.527 -12.276 1.00 0.00 O ATOM 0 H GLU A 126 -2.225 -10.648 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.021 -9.837 -9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.532 -8.491 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.218 -7.555 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.477 -9.323 -11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.099 -9.459 -10.823 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.159 -9.503 -6.649 1.00 0.00 N ATOM 1949 CA LEU A 127 0.555 -9.053 -5.459 1.00 0.00 C ATOM 1950 C LEU A 127 1.999 -9.541 -5.475 1.00 0.00 C ATOM 1951 O LEU A 127 2.837 -9.057 -4.714 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.151 -9.551 -4.196 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.281 -8.654 -3.690 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.718 -7.398 -3.043 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.223 -8.291 -4.829 1.00 0.00 C ATOM 0 H LEU A 127 -0.883 -10.198 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 127 0.559 -7.963 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.556 -10.544 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.589 -9.659 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.846 -9.204 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.537 -6.772 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.084 -7.675 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.129 -6.845 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.021 -7.652 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.670 -7.760 -5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.654 -9.200 -5.249 1.00 0.00 H new ATOM 1967 N GLU A 128 2.285 -10.503 -6.347 1.00 0.00 N ATOM 1968 CA GLU A 128 3.628 -11.057 -6.461 1.00 0.00 C ATOM 1969 C GLU A 128 4.666 -9.947 -6.591 1.00 0.00 C ATOM 1970 O GLU A 128 4.789 -9.319 -7.642 1.00 0.00 O ATOM 1971 CB GLU A 128 3.716 -11.997 -7.666 1.00 0.00 C ATOM 1972 CG GLU A 128 2.536 -12.947 -7.785 1.00 0.00 C ATOM 1973 CD GLU A 128 2.910 -14.263 -8.439 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.109 -14.276 -9.671 1.00 0.00 O ATOM 1975 OE2 GLU A 128 3.004 -15.278 -7.719 1.00 0.00 O ATOM 0 H GLU A 128 1.604 -10.915 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 128 3.838 -11.622 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.785 -11.401 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.635 -12.579 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.129 -13.141 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.746 -12.469 -8.365 1.00 0.00 H new ATOM 1982 N GLU A 129 5.409 -9.710 -5.514 1.00 0.00 N ATOM 1983 CA GLU A 129 6.435 -8.674 -5.508 1.00 0.00 C ATOM 1984 C GLU A 129 7.144 -8.602 -6.858 1.00 0.00 C ATOM 1985 O GLU A 129 7.538 -7.526 -7.307 1.00 0.00 O ATOM 1986 CB GLU A 129 7.454 -8.941 -4.398 1.00 0.00 C ATOM 1987 CG GLU A 129 8.617 -7.962 -4.390 1.00 0.00 C ATOM 1988 CD GLU A 129 9.417 -8.017 -3.105 1.00 0.00 C ATOM 1989 OE1 GLU A 129 9.547 -9.121 -2.534 1.00 0.00 O ATOM 1990 OE2 GLU A 129 9.913 -6.958 -2.668 1.00 0.00 O ATOM 0 H GLU A 129 5.320 -10.221 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 129 5.948 -7.717 -5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.948 -8.898 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.843 -9.953 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.274 -8.178 -5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.237 -6.951 -4.534 1.00 0.00 H new ATOM 1997 N ASP A 130 7.303 -9.755 -7.498 1.00 0.00 N ATOM 1998 CA ASP A 130 7.964 -9.824 -8.796 1.00 0.00 C ATOM 1999 C ASP A 130 7.269 -8.918 -9.807 1.00 0.00 C ATOM 2000 O ASP A 130 7.920 -8.156 -10.523 1.00 0.00 O ATOM 2001 CB ASP A 130 7.978 -11.265 -9.309 1.00 0.00 C ATOM 2002 CG ASP A 130 8.822 -12.180 -8.442 1.00 0.00 C ATOM 2003 OD1 ASP A 130 9.761 -11.678 -7.788 1.00 0.00 O ATOM 2004 OD2 ASP A 130 8.542 -13.396 -8.417 1.00 0.00 O ATOM 0 H ASP A 130 6.983 -10.655 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 130 8.991 -9.481 -8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.957 -11.644 -9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.361 -11.281 -10.329 1.00 0.00 H new ATOM 2009 N PHE A 131 5.944 -9.007 -9.863 1.00 0.00 N ATOM 2010 CA PHE A 131 5.162 -8.197 -10.789 1.00 0.00 C ATOM 2011 C PHE A 131 5.249 -6.718 -10.426 1.00 0.00 C ATOM 2012 O PHE A 131 5.289 -5.854 -11.303 1.00 0.00 O ATOM 2013 CB PHE A 131 3.699 -8.649 -10.785 1.00 0.00 C ATOM 2014 CG PHE A 131 2.801 -7.777 -11.613 1.00 0.00 C ATOM 2015 CD1 PHE A 131 2.983 -7.675 -12.984 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.772 -7.060 -11.024 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.158 -6.873 -13.748 1.00 0.00 C ATOM 2018 CE2 PHE A 131 0.944 -6.256 -11.783 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.136 -6.164 -13.148 1.00 0.00 C ATOM 0 H PHE A 131 5.390 -9.632 -9.278 1.00 0.00 H new ATOM 0 HA PHE A 131 5.575 -8.333 -11.789 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.642 -9.672 -11.156 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.334 -8.662 -9.758 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.779 -8.229 -13.460 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.615 -7.131 -9.958 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.312 -6.800 -14.814 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.148 -5.700 -11.310 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.488 -5.539 -13.745 1.00 0.00 H new ATOM 2029 N ILE A 132 5.280 -6.435 -9.129 1.00 0.00 N ATOM 2030 CA ILE A 132 5.364 -5.061 -8.649 1.00 0.00 C ATOM 2031 C ILE A 132 6.590 -4.354 -9.216 1.00 0.00 C ATOM 2032 O ILE A 132 6.485 -3.266 -9.783 1.00 0.00 O ATOM 2033 CB ILE A 132 5.418 -5.003 -7.111 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.271 -5.817 -6.507 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.360 -3.560 -6.632 1.00 0.00 C ATOM 2036 CD1 ILE A 132 2.901 -5.266 -6.838 1.00 0.00 C ATOM 0 H ILE A 132 5.248 -7.139 -8.391 1.00 0.00 H new ATOM 0 HA ILE A 132 4.463 -4.552 -8.992 1.00 0.00 H new ATOM 0 HB ILE A 132 6.361 -5.437 -6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.337 -6.844 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.389 -5.849 -5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.399 -3.536 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.208 -3.008 -7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.432 -3.101 -6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.136 -5.892 -6.378 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.816 -4.249 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.763 -5.260 -7.919 1.00 0.00 H new ATOM 2048 N ARG A 133 7.752 -4.981 -9.062 1.00 0.00 N ATOM 2049 CA ARG A 133 8.999 -4.413 -9.559 1.00 0.00 C ATOM 2050 C ARG A 133 8.856 -3.979 -11.015 1.00 0.00 C ATOM 2051 O ARG A 133 9.055 -2.811 -11.348 1.00 0.00 O ATOM 2052 CB ARG A 133 10.135 -5.428 -9.428 1.00 0.00 C ATOM 2053 CG ARG A 133 10.890 -5.331 -8.112 1.00 0.00 C ATOM 2054 CD ARG A 133 10.252 -6.199 -7.038 1.00 0.00 C ATOM 2055 NE ARG A 133 11.195 -6.537 -5.976 1.00 0.00 N ATOM 2056 CZ ARG A 133 12.031 -7.568 -6.036 1.00 0.00 C ATOM 2057 NH1 ARG A 133 12.041 -8.356 -7.103 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.860 -7.812 -5.030 1.00 0.00 N ATOM 0 H ARG A 133 7.855 -5.883 -8.597 1.00 0.00 H new ATOM 0 HA ARG A 133 9.234 -3.535 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.726 -6.433 -9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.836 -5.285 -10.251 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.925 -5.638 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.910 -4.293 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.397 -5.676 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.872 -7.115 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 133 11.213 -5.950 -5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.406 -8.171 -7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.684 -9.147 -7.147 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.857 -7.208 -4.208 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.501 -8.604 -5.078 1.00 0.00 H new ATOM 2072 N SER A 134 8.509 -4.929 -11.879 1.00 0.00 N ATOM 2073 CA SER A 134 8.344 -4.646 -13.300 1.00 0.00 C ATOM 2074 C SER A 134 7.634 -3.311 -13.509 1.00 0.00 C ATOM 2075 O SER A 134 8.038 -2.507 -14.349 1.00 0.00 O ATOM 2076 CB SER A 134 7.554 -5.768 -13.976 1.00 0.00 C ATOM 2077 OG SER A 134 8.382 -6.887 -14.237 1.00 0.00 O ATOM 0 H SER A 134 8.337 -5.900 -11.619 1.00 0.00 H new ATOM 0 HA SER A 134 9.334 -4.586 -13.751 1.00 0.00 H new ATOM 0 HB2 SER A 134 6.723 -6.067 -13.338 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.124 -5.404 -14.909 1.00 0.00 H new ATOM 0 HG SER A 134 7.854 -7.591 -14.668 1.00 0.00 H new ATOM 2083 N GLU A 135 6.575 -3.084 -12.738 1.00 0.00 N ATOM 2084 CA GLU A 135 5.808 -1.848 -12.840 1.00 0.00 C ATOM 2085 C GLU A 135 6.690 -0.636 -12.549 1.00 0.00 C ATOM 2086 O GLU A 135 6.878 0.228 -13.404 1.00 0.00 O ATOM 2087 CB GLU A 135 4.624 -1.875 -11.872 1.00 0.00 C ATOM 2088 CG GLU A 135 3.770 -3.126 -11.991 1.00 0.00 C ATOM 2089 CD GLU A 135 2.813 -3.069 -13.166 1.00 0.00 C ATOM 2090 OE1 GLU A 135 3.233 -3.414 -14.290 1.00 0.00 O ATOM 2091 OE2 GLU A 135 1.644 -2.681 -12.961 1.00 0.00 O ATOM 0 H GLU A 135 6.229 -3.739 -12.037 1.00 0.00 H new ATOM 0 HA GLU A 135 5.432 -1.766 -13.860 1.00 0.00 H new ATOM 0 HB2 GLU A 135 4.998 -1.796 -10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.999 -1.000 -12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.419 -3.996 -12.097 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.202 -3.263 -11.071 1.00 0.00 H new